data_2mzw_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 2mzw _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 401' ' ' MET . . . . . . . . . . . . . 16.3 ttt . . . . . 0 N--CA 1.48 1.03 0 CA-C-O 120.696 0.284 . . . . 0.0 110.358 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -83.5 168.18 16.71 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.6 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 403' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -116.66 94.7 44.34 Favored Pre-proline 0 C--N 1.323 -0.57 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 404' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.45 80.58 2.5 Favored 'Trans proline' 0 CA--C 1.529 0.249 0 C-N-CA 122.809 2.339 . . . . 0.0 113.019 -179.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -121.38 101.97 43.22 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.618 179.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 406' ' ' PRO . . . . . 0.541 ' O ' ' HA ' ' A' ' 453' ' ' MET . 3.9 Cg_exo -76.95 -112.24 0.01 OUTLIER 'Trans proline' 0 CA--C 1.532 0.419 0 C-N-CA 123.264 2.642 . . . . 0.0 112.771 -179.405 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 407' ' ' VAL . . . . . 0.442 ' H ' ' HB2' ' A' ' 406' ' ' PRO . 11.9 m -95.83 133.16 37.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.232 0.539 . . . . 0.0 112.334 -178.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 408' ' ' ILE . . . . . 0.414 ' O ' ' HA2' ' A' ' 451' ' ' GLY . 7.3 tt -128.7 132.62 67.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.979 179.3 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -105.05 134.81 47.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.863 0.364 . . . . 0.0 111.344 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 410' ' ' LEU . . . . . 0.448 HD23 HD12 ' A' ' 458' ' ' LEU . 52.6 tp -132.97 141.16 48.17 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.655 179.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 411' ' ' SER . . . . . 0.494 ' HB2' ' OE1' ' A' ' 413' ' ' GLU . 0.1 OUTLIER -96.28 134.1 39.81 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 179.42 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 412' ' ' VAL . . . . . 0.614 HG23 HD11 ' A' ' 450' ' ' ILE . 2.1 t -128.39 79.26 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.34 0.591 . . . . 0.0 110.41 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 413' ' ' GLU . . . . . 0.621 ' HG3' ' HB3' ' A' ' 447' ' ' GLN . 7.6 mp0 -78.06 132.11 67.98 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.701 -179.036 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 414' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -76.16 172.67 15.83 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.996 2.464 . . . . 0.0 113.486 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 415' ' ' LYS . . . . . 0.441 ' HD2' ' HB3' ' A' ' 472' ' ' GLU . 24.8 tttt -85.31 -61.02 1.86 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.574 -179.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 94.1 p -120.87 -174.98 2.94 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.043 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 23.4 pttm -71.19 -26.06 62.79 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.249 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 418' ' ' ALA . . . . . . . . . . . . . . . -68.08 -37.72 81.57 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 178.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 419' ' ' ASP . . . . . 0.45 ' HB3' HG22 ' A' ' 471' ' ' VAL . 26.1 m-20 -69.74 -32.0 70.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.61 179.103 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 420' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -61.77 -43.43 98.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.94 178.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 421' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -64.6 -42.17 95.73 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 58.0 mttm -61.3 -43.77 98.33 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.342 179.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 423' ' ' MET . . . . . 0.555 ' O ' ' HG ' ' A' ' 427' ' ' LEU . 62.4 tpp -62.77 -47.54 83.07 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.175 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 424' ' ' THR . . . . . . . . . . . . . 8.4 m -59.08 -39.6 82.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.001 0.429 . . . . 0.0 110.443 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 425' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -71.09 -35.28 71.79 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.216 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 426' ' ' ALA . . . . . 0.432 ' HA ' ' CZ ' ' A' ' 469' ' ' PHE . . . -66.44 -42.88 86.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.868 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 427' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 423' ' ' MET . 90.3 mt -55.93 -35.07 66.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.12 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 428' ' ' VAL . . . . . 0.465 ' O ' ' HG3' ' A' ' 432' ' ' GLU . 90.0 t -66.47 -60.17 2.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.064 179.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -61.3 -37.29 82.69 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -178.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -69.08 -42.8 75.71 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.39 -29.07 69.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.679 0.276 . . . . 0.0 111.426 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 432' ' ' GLU . . . . . 0.465 ' HG3' ' O ' ' A' ' 428' ' ' VAL . 14.1 mt-10 -81.8 -25.4 35.25 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.316 -0.402 . . . . 0.0 109.936 179.039 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 433' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.56 -47.68 31.22 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.402 179.55 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 434' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -137.67 103.65 8.44 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.951 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 435' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -83.36 24.86 0.72 Allowed 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 123.082 2.522 . . . . 0.0 112.748 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.96 11.04 38.79 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.82 0.343 . . . . 0.0 111.88 -179.013 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 437' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -138.31 170.0 16.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.673 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 438' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -130.76 144.61 51.57 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.653 -0.249 . . . . 0.0 110.738 -179.53 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 439' ' ' ALA . . . . . . . . . . . . . . . -136.81 128.23 28.37 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.985 179.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -132.2 149.49 52.37 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.669 0.271 . . . . 0.0 111.456 -179.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 441' ' ' THR . . . . . 0.408 HG23 ' O ' ' A' ' 447' ' ' GLN . 1.4 m -114.57 67.84 0.69 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.19 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -156.36 -89.95 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.164 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 443' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 56.65 -162.03 0.19 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.194 0.521 . . . . 0.0 112.078 179.361 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -116.02 -36.73 4.03 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.216 179.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.34 61.05 1.68 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.796 -179.591 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 446' ' ' GLY . . . . . . . . . . . . . . . -175.71 172.27 45.29 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.841 -0.695 . . . . 0.0 111.874 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 447' ' ' GLN . . . . . 0.743 ' HG3' HG22 ' A' ' 448' ' ' VAL . 5.0 tp-100 -107.72 -53.35 2.64 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 179.482 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 448' ' ' VAL . . . . . 0.743 HG22 ' HG3' ' A' ' 447' ' ' GLN . 8.6 t -125.5 105.01 14.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.165 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 449' ' ' ILE . . . . . 0.492 HD13 HG21 ' A' ' 449' ' ' ILE . 1.2 tt -99.79 123.02 52.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 120.953 0.406 . . . . 0.0 111.217 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 450' ' ' ILE . . . . . 0.614 HD11 HG23 ' A' ' 412' ' ' VAL . 2.9 mp -116.68 132.97 64.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.606 179.168 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 451' ' ' GLY . . . . . 0.414 ' HA2' ' O ' ' A' ' 408' ' ' ILE . . . -130.12 134.46 7.86 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 121.02 -0.609 . . . . 0.0 111.579 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 452' ' ' GLY . . . . . . . . . . . . . . . -151.76 175.87 30.36 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.941 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 453' ' ' MET . . . . . 0.541 ' HA ' ' O ' ' A' ' 406' ' ' PRO . 1.2 ppp? -92.52 121.43 33.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.726 0.298 . . . . 0.0 110.936 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 454' ' ' GLY . . . . . . . . . . . . . . . 87.61 140.5 6.67 Favored Glycine 0 CA--C 1.518 0.271 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.946 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 455' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.67 -28.81 61.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.921 0.391 . . . . 0.0 111.162 -179.535 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 456' ' ' LEU . . . . . 0.403 ' HA ' HD13 ' A' ' 456' ' ' LEU . 38.1 tp -67.28 -35.73 80.08 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.557 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 457' ' ' HIS . . . . . 0.49 ' O ' ' HG ' ' A' ' 461' ' ' LEU . 2.0 t-160 -63.75 -36.76 84.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.453 178.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 458' ' ' LEU . . . . . 0.448 HD12 HD23 ' A' ' 410' ' ' LEU . 0.6 OUTLIER -67.69 -39.06 84.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.56 179.49 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -61.99 -41.97 98.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.771 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 460' ' ' ILE . . . . . . . . . . . . . 45.0 mm -61.82 -38.56 80.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.18 179.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 461' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 457' ' ' HIS . 79.2 mt -67.62 -50.58 57.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.967 -0.56 . . . . 0.0 112.123 -179.402 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 32.5 m -64.59 -27.83 43.45 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-O 121.069 0.461 . . . . 0.0 110.822 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 463' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -63.82 -46.03 86.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.79 178.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 -60.77 -37.36 81.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.044 179.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 465' ' ' MET . . . . . 0.424 ' O ' HG12 ' A' ' 471' ' ' VAL . 63.8 mtt -58.83 -55.93 28.75 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.013 -0.54 . . . . 0.0 112.1 -179.185 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 44.4 mttt -79.9 -32.44 40.25 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -178.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 467' ' ' LYS . . . . . 0.825 ' HA ' ' HE2' ' A' ' 467' ' ' LYS . 10.3 mmpt? -83.46 -39.57 20.38 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 -178.082 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -98.04 -36.89 9.96 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 -178.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 469' ' ' PHE . . . . . 0.432 ' CZ ' ' HA ' ' A' ' 426' ' ' ALA . 78.8 m-85 -102.35 -2.46 28.9 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -178.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 470' ' ' ASN . . . . . . . . . . . . . 10.6 p30 44.47 36.05 1.54 Allowed 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 471' ' ' VAL . . . . . 0.45 HG22 ' HB3' ' A' ' 419' ' ' ASP . 3.9 p -88.9 129.78 39.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.465 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 472' ' ' GLU . . . . . 0.441 ' HB3' ' HD2' ' A' ' 415' ' ' LYS . 0.1 OUTLIER -85.98 118.24 25.33 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 179.504 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 473' ' ' CYS . . . . . . . . . . . . . 1.3 p -148.1 164.93 32.37 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.714 -179.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 474' ' ' ASN . . . . . 0.471 HD21 ' HB2' ' A' ' 477' ' ' ALA . 9.6 t30 -122.96 118.07 26.97 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.891 179.31 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 475' ' ' VAL . . . . . . . . . . . . . 8.8 m -73.16 121.94 24.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.945 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . 91.2 58.06 1.51 Allowed Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 115.94 -0.573 . . . . 0.0 112.601 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 477' ' ' ALA . . . . . 0.471 ' HB2' HD21 ' A' ' 474' ' ' ASN . . . -134.0 155.69 79.92 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 120.537 0.208 . . . . 0.0 111.027 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 478' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -100.55 148.1 0.39 Allowed 'Trans proline' 0 CA--C 1.535 0.575 0 C-N-CA 123.424 2.75 . . . . 0.0 111.669 178.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 479' ' ' MET . . . . . 0.439 ' HG2' ' H ' ' A' ' 480' ' ' VAL . 11.3 ttt -167.16 167.29 14.45 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.852 -0.158 . . . . 0.0 110.675 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 480' ' ' VAL . . . . . 0.439 ' H ' ' HG2' ' A' ' 479' ' ' MET . 1.6 m -146.46 165.32 8.34 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 C-N-CA 122.585 0.354 . . . . 0.0 110.336 179.409 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 481' ' ' SER . . . . . 0.522 ' HA ' ' OE2' ' A' ' 650' ' ' GLU . 51.7 m -152.74 140.94 20.45 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 122.41 0.284 . . . . 0.0 110.528 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 482' ' ' TYR . . . . . 0.617 ' O ' ' HB2' ' A' ' 483' ' ' ARG . 37.0 m-85 -141.69 -164.36 1.76 Allowed 'General case' 0 N--CA 1.471 0.624 0 O-C-N 123.107 0.254 . . . . 0.0 111.004 -179.279 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 483' ' ' ARG . . . . . 0.617 ' HB2' ' O ' ' A' ' 482' ' ' TYR . 1.4 tpp180 159.1 111.86 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.524 1.129 . . . . 0.0 110.207 179.3 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 484' ' ' GLU . . . . . 0.564 ' HB2' ' HG3' ' A' ' 602' ' ' GLU . 2.6 mp0 -110.83 156.51 21.02 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -178.312 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 485' ' ' THR . . . . . 0.589 ' O ' ' HB2' ' A' ' 486' ' ' PHE . 88.0 m -164.89 122.74 1.64 Allowed 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -179.024 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 486' ' ' PHE . . . . . 0.6 ' CE2' ' HA ' ' A' ' 515' ' ' PRO . 0.4 OUTLIER 164.27 151.71 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 124.224 1.01 . . . . 0.0 111.108 176.872 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 487' ' ' LYS . . . . . 0.702 ' HG3' HD11 ' A' ' 600' ' ' ILE . 13.0 tmtt? 175.37 149.37 0.1 Allowed 'General case' 0 N--CA 1.468 0.435 0 O-C-N 123.438 0.461 . . . . 0.0 110.84 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 488' ' ' SER . . . . . 0.433 ' OG ' ' HD3' ' A' ' 487' ' ' LYS . 49.8 m 70.64 176.09 0.28 Allowed 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 177.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 489' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -149.74 150.44 32.07 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 114.665 -1.152 . . . . 0.0 108.18 179.081 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 490' ' ' ALA . . . . . . . . . . . . . . . 178.74 177.65 0.46 Allowed 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.817 0.342 . . . . 0.0 111.15 -178.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 491' ' ' GLN . . . . . . . . . . . . . 14.8 tm0? -108.66 119.72 40.36 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 178.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 12.0 t -103.85 140.49 21.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 121.018 0.437 . . . . 0.0 111.718 -178.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 493' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -100.36 139.39 36.11 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 178.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -133.12 110.46 0.91 Allowed Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.305 -0.95 . . . . 0.0 111.544 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -132.44 133.55 44.01 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 496' ' ' PHE . . . . . 0.47 ' O ' ' HA ' ' A' ' 506' ' ' TYR . 41.8 t80 -141.8 121.46 13.4 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 179.309 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 8.3 t -138.69 122.3 17.42 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -156.78 165.83 35.11 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.887 0.375 . . . . 0.0 111.065 179.671 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 499' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -153.34 76.07 1.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 178.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 5.3 m -119.09 43.77 2.5 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.162 -178.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . -177.12 39.04 0.09 OUTLIER Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.119 -1.039 . . . . 0.0 112.692 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 81.5 -48.53 3.85 Favored Glycine 0 N--CA 1.453 -0.206 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.218 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 503' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 -96.99 158.12 15.58 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.992 0.425 . . . . 0.0 110.716 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 504' ' ' GLY . . . . . . . . . . . . . . . -104.41 156.71 17.16 Favored Glycine 0 N--CA 1.442 -0.908 0 N-CA-C 111.064 -0.815 . . . . 0.0 111.064 179.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 505' ' ' GLN . . . . . 0.423 HE21 ' HB3' ' A' ' 505' ' ' GLN . 0.0 OUTLIER -141.83 137.9 31.8 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 -179.813 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 506' ' ' TYR . . . . . 0.47 ' HA ' ' O ' ' A' ' 496' ' ' PHE . 66.9 t80 -143.54 137.9 28.77 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.013 0.435 . . . . 0.0 111.759 -179.461 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -142.3 124.47 2.43 Favored Glycine 0 N--CA 1.443 -0.857 0 N-CA-C 110.673 -0.971 . . . . 0.0 110.673 178.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 508' ' ' ASP . . . . . 0.417 ' HB3' ' HB2' ' A' ' 570' ' ' SER . 4.4 t70 -131.72 122.52 26.02 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 2.9 m -143.89 154.93 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.265 0.555 . . . . 0.0 111.713 -178.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 510' ' ' HIS . . . . . 0.639 ' HB2' ' HB3' ' A' ' 568' ' ' ASP . 28.0 m170 -134.84 109.43 8.52 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 178.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 511' ' ' ILE . . . . . . . . . . . . . 1.7 mt -125.03 147.49 29.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -177.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -113.21 137.0 52.12 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 177.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 14.4 p90 -125.2 147.25 49.14 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.524 -0.471 . . . . 0.0 111.994 -179.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 514' ' ' THR . . . . . . . . . . . . . 2.7 p -140.41 150.12 59.89 Favored Pre-proline 0 CA--C 1.534 0.332 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.467 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 515' ' ' PRO . . . . . 0.6 ' HA ' ' CE2' ' A' ' 486' ' ' PHE . 72.8 Cg_endo -76.83 156.41 34.94 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.809 2.339 . . . . 0.0 112.72 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 516' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -161.57 46.06 0.18 Allowed 'General case' 0 CA--C 1.533 0.296 0 CA-C-O 121.222 0.534 . . . . 0.0 109.842 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -78.89 1.81 22.26 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 -178.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 518' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.31 97.72 3.08 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.931 0.396 . . . . 0.0 110.697 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . 0.8 ' HA3' HG22 ' B' ' 158' ' ' THR . . . 73.19 5.08 65.22 Favored Glycine 0 CA--C 1.528 0.857 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.059 -178.492 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 520' ' ' ALA . . . . . 0.561 ' HB1' ' HB2' ' B' ' 187' ' ' TYR . . . 102.55 163.37 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 125.659 1.584 . . . . 0.0 112.66 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . -129.93 -116.21 1.84 Allowed Glycine 0 C--N 1.341 0.84 0 C-N-CA 120.791 -0.719 . . . . 0.0 114.173 -178.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 522' ' ' PHE . . . . . 0.788 ' HB3' HD12 ' B' ' 168' ' ' LEU . 1.0 OUTLIER 87.86 87.58 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.917 0.887 . . . . 0.0 112.011 -179.681 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 523' ' ' GLU . . . . . 0.608 ' O ' ' HA ' ' A' ' 563' ' ' LYS . 10.0 tp10 -164.03 137.22 5.26 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 113.021 0.748 . . . . 0.0 113.021 179.329 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -131.48 100.14 5.05 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.176 -0.92 . . . . 0.0 108.588 178.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 525' ' ' GLU . . . . . 1.011 ' HG2' ' HB2' ' B' ' 183' ' ' LYS . 31.8 mt-10 -80.87 153.44 27.62 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 -177.476 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 12.7 p30 -122.08 140.68 52.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.307 -0.861 . . . . 0.0 109.732 178.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 527' ' ' ALA . . . . . 0.513 ' HB2' ' HA ' ' A' ' 567' ' ' TYR . . . -101.68 7.2 42.09 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -179.179 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 528' ' ' ILE . . . . . 0.542 ' HA ' HG23 ' A' ' 538' ' ' ILE . 7.0 mt 56.4 38.02 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 CA-C-O 121.333 0.587 . . . . 0.0 111.77 179.633 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 529' ' ' VAL . . . . . 0.419 HG21 ' N ' ' A' ' 530' ' ' GLY . 11.4 p -158.36 162.61 1.39 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.027 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 530' ' ' GLY . . . . . 0.419 ' N ' HG21 ' A' ' 529' ' ' VAL . . . 102.03 -88.64 0.7 Allowed Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.222 179.298 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 531' ' ' GLY . . . . . . . . . . . . . . . -107.09 14.9 40.23 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.655 -0.783 . . . . 0.0 111.51 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 11.3 m -136.27 146.66 28.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.755 0.312 . . . . 0.0 111.196 -179.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 533' ' ' VAL . . . . . 0.874 ' HB ' ' HD3' ' A' ' 534' ' ' PRO . 43.2 t -127.43 -60.05 0.03 OUTLIER Pre-proline 0 CA--C 1.535 0.367 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.379 179.352 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 534' ' ' PRO . . . . . 0.874 ' HD3' ' HB ' ' A' ' 533' ' ' VAL . 24.5 Cg_exo -66.07 153.03 79.73 Favored 'Trans proline' 0 C--N 1.357 1.015 0 C-N-CA 122.214 1.943 . . . . 0.0 111.558 179.368 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 535' ' ' ARG . . . . . 0.583 ' O ' HG12 ' A' ' 538' ' ' ILE . 8.0 ttt-85 -62.33 -47.52 83.88 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -179.145 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -78.37 9.96 3.47 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.864 0.69 . . . . 0.0 112.864 -178.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 537' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -102.36 -2.41 28.95 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.128 0.49 . . . . 0.0 111.157 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . 0.586 HG13 ' HD3' ' A' ' 539' ' ' PRO . 30.2 pt -75.59 -41.86 3.74 Favored Pre-proline 0 CA--C 1.542 0.672 0 N-CA-C 115.249 1.574 . . . . 0.0 115.249 -179.248 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 539' ' ' PRO . . . . . 0.586 ' HD3' HG13 ' A' ' 538' ' ' ILE . 55.9 Cg_endo -67.67 -19.73 47.47 Favored 'Trans proline' 0 C--N 1.362 1.285 0 C-N-CA 121.468 1.446 . . . . 0.0 112.551 -179.523 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 540' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.59 -64.95 0.74 Allowed 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.726 -179.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 44.3 t -59.62 -39.07 78.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 542' ' ' GLU . . . . . 0.494 ' HG2' ' HA ' ' A' ' 539' ' ' PRO . 13.4 pt-20 -61.01 -45.03 96.45 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 120.771 -0.371 . . . . 0.0 111.64 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 543' ' ' ALA . . . . . . . . . . . . . . . -68.36 -36.46 79.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.532 178.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -64.14 -36.9 93.82 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 121.021 -0.609 . . . . 0.0 112.305 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.57 -33.61 76.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.865 0.365 . . . . 0.0 111.124 179.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . 0.75 ' O ' ' HG2' ' A' ' 550' ' ' GLU . 15.0 tptp -76.9 -28.42 55.34 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.889 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 547' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -59.69 -45.9 90.7 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.329 0.585 . . . . 0.0 110.372 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -69.24 -44.74 71.36 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.458 178.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 549' ' ' MET . . . . . 0.428 ' HG3' HG12 ' A' ' 553' ' ' VAL . 52.1 tpp -49.14 -51.4 32.49 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.419 179.149 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 550' ' ' GLU . . . . . 0.75 ' HG2' ' O ' ' A' ' 546' ' ' LYS . 0.6 OUTLIER -65.89 -9.63 31.04 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -179.056 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 551' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -92.62 -10.29 37.95 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.83 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . -121.06 -27.66 1.82 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.35 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 553' ' ' VAL . . . . . 0.428 HG12 ' HG3' ' A' ' 549' ' ' MET . 1.9 p -119.47 173.8 5.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.692 0.282 . . . . 0.0 110.563 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . 0.487 ' H ' HD23 ' A' ' 554' ' ' LEU . 1.1 pt? -101.7 137.09 40.47 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.405 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -134.36 147.64 50.57 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.032 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 556' ' ' GLY . . . . . 0.403 ' N ' HD11 ' A' ' 560' ' ' ILE . . . 92.16 59.06 1.33 Allowed Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.851 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 557' ' ' TYR . . . . . 0.523 ' HB3' ' HD2' ' A' ' 558' ' ' PRO . 29.8 m-85 -140.95 166.39 22.98 Favored Pre-proline 0 C--N 1.329 -0.318 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 558' ' ' PRO . . . . . 0.523 ' HD2' ' HB3' ' A' ' 557' ' ' TYR . 26.1 Cg_exo -35.01 -80.73 0.02 OUTLIER 'Trans proline' 0 C--N 1.354 0.852 0 C-N-CA 124.243 3.295 . . . . 0.0 115.408 -178.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 559' ' ' LEU . . . . . 0.443 HD11 ' HA ' ' A' ' 559' ' ' LEU . 2.5 mm? -115.23 72.69 0.8 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.507 0.194 . . . . 0.0 111.057 -179.005 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 560' ' ' ILE . . . . . 0.551 ' CG2' ' HA ' ' A' ' 484' ' ' GLU . 8.7 pt -138.92 -165.03 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 112.55 0.574 . . . . 0.0 112.55 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 561' ' ' ASP . . . . . 0.499 ' HB3' ' N ' ' A' ' 522' ' ' PHE . 0.2 OUTLIER 83.63 124.33 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 114.276 -1.329 . . . . 0.0 113.009 179.716 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 562' ' ' VAL . . . . . 0.545 ' HA ' ' CE2' ' A' ' 486' ' ' PHE . 5.8 m -81.84 158.45 4.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 114.788 -1.096 . . . . 0.0 113.496 -176.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 563' ' ' LYS . . . . . 0.608 ' HA ' ' O ' ' A' ' 523' ' ' GLU . 32.0 tttm -122.31 101.07 7.29 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 177.192 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -109.94 166.65 10.77 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.952 -177.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 565' ' ' LYS . . . . . 0.431 ' HZ2' ' CD ' ' A' ' 525' ' ' GLU . 49.6 mttm -136.91 113.67 10.33 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.058 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 566' ' ' LEU . . . . . 0.4 HD21 ' HA ' ' A' ' 566' ' ' LEU . 2.2 tm? -81.98 107.49 14.73 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 178.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 567' ' ' TYR . . . . . 0.513 ' HA ' ' HB2' ' A' ' 527' ' ' ALA . 21.4 p90 -112.56 -15.44 13.04 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 -177.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 568' ' ' ASP . . . . . 0.639 ' HB3' ' HB2' ' A' ' 510' ' ' HIS . 24.8 t0 -157.41 160.6 38.55 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.549 -0.46 . . . . 0.0 112.074 -179.531 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 178.33 161.3 26.07 Favored Glycine 0 N--CA 1.446 -0.65 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.385 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 570' ' ' SER . . . . . 0.417 ' HB2' ' HB3' ' A' ' 508' ' ' ASP . 5.0 m -142.47 123.58 14.56 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.705 -0.479 . . . . 0.0 109.705 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 571' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -128.27 -40.63 1.62 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 572' ' ' HIS . . . . . . . . . . . . . 42.9 t60 64.28 -93.2 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.692 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 573' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -166.79 102.42 0.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.701 0.286 . . . . 0.0 110.334 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 1.4 m -143.03 -175.8 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.06 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 575' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -92.41 140.51 29.51 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.167 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 576' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -107.88 109.72 21.31 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.045 0.45 . . . . 0.0 111.837 -179.252 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 577' ' ' SER . . . . . 0.566 ' HB2' ' HB3' ' A' ' 580' ' ' ALA . 14.8 m -113.9 130.61 56.48 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 178.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -56.06 -54.63 42.67 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -178.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 579' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -56.07 -38.21 70.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.874 0.369 . . . . 0.0 111.349 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 580' ' ' ALA . . . . . 0.566 ' HB3' ' HB2' ' A' ' 577' ' ' SER . . . -69.51 -34.93 75.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.063 -179.648 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 581' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -77.07 -38.32 52.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.616 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 582' ' ' LYS . . . . . . . . . . . . . 38.2 mmtm -67.7 -41.18 84.02 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.148 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 10.3 tp -70.09 -30.04 42.25 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 CA-C-O 120.928 0.394 . . . . 0.0 110.333 179.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 584' ' ' ALA . . . . . . . . . . . . . . . -67.29 -40.62 86.11 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.2 179.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -60.15 -40.13 88.79 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.311 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 29.4 m -66.13 -36.24 82.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.102 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 15.2 tp -67.31 -46.49 73.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.919 0.39 . . . . 0.0 110.62 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -63.9 -37.43 87.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.734 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 35.5 tp -63.36 -33.74 76.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.58 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 590' ' ' LYS . . . . . . . . . . . . . 58.9 tttm -71.43 -41.72 69.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.323 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 591' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -64.22 -36.44 84.07 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.491 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -74.62 -28.86 61.07 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.883 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 593' ' ' ALA . . . . . 0.429 ' O ' ' HD3' ' A' ' 598' ' ' PRO . . . -58.67 -50.38 74.1 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -179.029 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 594' ' ' LYS . . . . . . . . . . . . . 23.7 pttm -72.05 -11.57 60.82 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -179.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 47.4 tttp -102.14 -48.22 4.29 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -178.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 5.2 m -83.93 -19.56 34.48 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 114.434 1.272 . . . . 0.0 114.434 -177.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 597' ' ' ASP . . . . . . . . . . . . . 25.8 t70 66.52 93.11 0.06 OUTLIER Pre-proline 0 N--CA 1.47 0.55 0 CA-C-O 121.216 0.532 . . . . 0.0 110.667 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 598' ' ' PRO . . . . . 0.429 ' HD3' ' O ' ' A' ' 593' ' ' ALA . 72.7 Cg_endo -89.47 100.34 0.33 Allowed 'Trans proline' 0 N--CA 1.456 -0.684 0 C-N-CA 122.994 2.462 . . . . 0.0 113.271 -178.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 599' ' ' VAL . . . . . . . . . . . . . 4.3 m -141.26 -159.57 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.426 179.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 600' ' ' ILE . . . . . 0.702 HD11 ' HG3' ' A' ' 487' ' ' LYS . 14.6 mt 73.21 -68.79 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 O-C-N 123.531 0.519 . . . . 0.0 112.253 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 601' ' ' LEU . . . . . 0.523 HD11 ' HB3' ' A' ' 683' ' ' ALA . 51.4 mt 59.8 -120.24 0.97 Allowed 'General case' 0 N--CA 1.465 0.292 0 O-C-N 123.501 0.5 . . . . 0.0 110.898 -179.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 602' ' ' GLU . . . . . 1.13 ' HB2' HG11 ' A' ' 678' ' ' VAL . 3.4 mp0 -71.33 127.2 91.58 Favored Pre-proline 0 CA--C 1.532 0.277 0 CA-C-O 120.927 0.394 . . . . 0.0 110.035 178.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 603' ' ' PRO . . . . . 0.571 ' HA ' ' O ' ' A' ' 676' ' ' ALA . 72.9 Cg_endo -74.97 -170.09 0.73 Allowed 'Trans proline' 0 CA--C 1.532 0.411 0 C-N-CA 122.877 2.385 . . . . 0.0 114.008 -178.57 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 604' ' ' MET . . . . . 0.77 ' HA ' ' HA ' ' A' ' 647' ' ' PRO . 32.1 ttm -75.99 124.94 28.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.939 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 605' ' ' MET . . . . . 0.499 ' HE2' ' HG2' ' A' ' 603' ' ' PRO . 3.2 tpp -112.77 118.31 34.6 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.51 -179.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . 0.806 ' HA ' ' HB3' ' A' ' 645' ' ' TYR . 4.9 ptmt -73.15 139.06 46.11 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.506 179.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 6.2 m -132.64 118.31 34.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.218 0.533 . . . . 0.0 111.271 -179.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 608' ' ' THR . . . . . . . . . . . . . 3.1 t -84.4 111.18 19.21 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.559 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 609' ' ' ILE . . . . . 0.741 ' HB ' ' HB ' ' A' ' 642' ' ' VAL . 45.0 mm -84.82 132.89 30.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.969 -178.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -135.99 121.14 18.95 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 178.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 611' ' ' MET . . . . . 0.455 ' HB3' ' HE3' ' A' ' 611' ' ' MET . 10.5 ptp -173.12 152.8 2.34 Favored Pre-proline 0 C--N 1.33 -0.245 0 O-C-N 123.645 0.591 . . . . 0.0 110.367 179.687 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 612' ' ' PRO . . . . . 0.696 ' HA ' ' HA ' ' A' ' 639' ' ' ALA . 68.8 Cg_exo -54.28 141.28 71.4 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 123.06 2.507 . . . . 0.0 112.843 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -84.01 -154.0 0.15 Allowed 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.793 -179.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 78.64 -0.56 2.47 Favored 'General case' 0 N--CA 1.462 0.173 0 C-N-CA 124.08 0.952 . . . . 0.0 110.031 -178.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 615' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -132.22 30.52 4.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.144 178.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 616' ' ' MET . . . . . 0.426 ' HB3' ' HE2' ' A' ' 616' ' ' MET . 19.5 ptp -47.18 -41.35 17.8 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 -179.096 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . -73.22 -27.46 68.17 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.518 -0.848 . . . . 0.0 112.244 -179.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -86.54 -47.41 9.27 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.841 0.353 . . . . 0.0 110.873 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 619' ' ' ILE . . . . . 0.436 ' O ' HG23 ' A' ' 623' ' ' VAL . 39.5 mm -61.47 -51.96 66.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.905 -179.176 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 620' ' ' MET . . . . . . . . . . . . . 57.1 ttp -59.17 -38.92 80.96 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.617 0.246 . . . . 0.0 111.226 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . -63.56 -37.62 95.04 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.078 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -69.23 -31.84 70.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.951 0.405 . . . . 0.0 110.096 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 623' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 619' ' ' ILE . 62.4 t -71.47 -44.64 70.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.813 179.554 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 624' ' ' THR . . . . . . . . . . . . . 1.1 p -65.74 -27.99 68.71 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-O 120.958 0.408 . . . . 0.0 110.692 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 51.0 m -74.69 1.66 11.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.909 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 626' ' ' ARG . . . . . 0.487 HH22 ' HB2' ' A' ' 657' ' ' SER . 83.9 mtt-85 -119.39 14.8 12.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.853 178.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 627' ' ' ARG . . . . . 0.506 HH12 ' HG2' ' A' ' 647' ' ' PRO . 34.3 mtp-105 67.41 27.91 7.94 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.18 -179.226 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 628' ' ' GLY . . . . . 0.625 ' HA2' HG23 ' A' ' 646' ' ' VAL . . . -83.39 137.09 15.85 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.612 -0.804 . . . . 0.0 113.225 -179.306 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 629' ' ' ARG . . . . . 0.598 ' HB3' ' CE1' ' A' ' 645' ' ' TYR . 0.0 OUTLIER -108.81 113.88 27.19 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 178.435 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 630' ' ' VAL . . . . . . . . . . . . . 61.8 t -83.09 134.38 27.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 112.43 0.529 . . . . 0.0 112.43 -177.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 631' ' ' ASP . . . . . 0.587 ' HB2' ' CE2' ' A' ' 645' ' ' TYR . 4.7 t70 -112.6 -46.3 3.16 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.152 0.501 . . . . 0.0 109.896 178.632 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 632' ' ' GLY . . . . . . . . . . . . . . . -118.39 173.37 14.84 Favored Glycine 0 N--CA 1.449 -0.45 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 179.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 633' ' ' MET . . . . . . . . . . . . . 21.9 ttt -176.8 76.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.87 0.367 . . . . 0.0 110.18 -178.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 634' ' ' GLU . . . . . 0.465 ' O ' HG23 ' A' ' 641' ' ' VAL . 1.6 mp0 -116.09 126.68 27.41 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.083 -179.343 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 635' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -82.07 160.54 18.12 Favored 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 122.97 2.447 . . . . 0.0 112.873 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 636' ' ' ARG . . . . . 0.634 ' HB3' HG22 ' B' ' 35' ' ' VAL . 0.4 OUTLIER -146.17 88.66 1.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.644 179.558 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . 76.67 -97.55 1.23 Allowed Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.562 -0.827 . . . . 0.0 111.285 -179.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 638' ' ' ASN . . . . . 0.401 ' OD1' ' HG3' ' B' ' 31' ' ' GLU . 8.3 t-20 -108.04 -31.89 7.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.593 0.196 . . . . 0.0 111.122 179.096 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 639' ' ' ALA . . . . . 0.809 ' HB1' HG23 ' B' ' 35' ' ' VAL . . . -92.98 179.3 5.49 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 121.143 -0.223 . . . . 0.0 110.802 -179.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 640' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -154.18 131.72 11.36 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -178.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 641' ' ' VAL . . . . . 0.57 HG13 HH21 ' A' ' 636' ' ' ARG . 1.4 m -90.78 105.53 16.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.4 0.619 . . . . 0.0 110.086 178.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 642' ' ' VAL . . . . . 0.741 ' HB ' ' HB ' ' A' ' 609' ' ' ILE . 6.2 t -96.88 91.13 2.55 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.323 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 643' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -67.53 106.74 2.25 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.91 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 644' ' ' ALA . . . . . 0.411 ' HB3' ' H ' ' A' ' 645' ' ' TYR . . . -127.72 -162.5 1.18 Allowed 'General case' 0 N--CA 1.444 -0.761 0 CA-C-O 121.413 0.625 . . . . 0.0 111.568 -178.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 645' ' ' TYR . . . . . 0.806 ' HB3' ' HA ' ' A' ' 606' ' ' LYS . 2.7 p90 -169.82 136.73 1.59 Allowed 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.71 -1.132 . . . . 0.0 110.575 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 646' ' ' VAL . . . . . 0.625 HG23 ' HA2' ' A' ' 628' ' ' GLY . 46.4 t -132.51 128.72 21.15 Favored Pre-proline 0 C--N 1.32 -0.712 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 179.279 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 647' ' ' PRO . . . . . 0.77 ' HA ' ' HA ' ' A' ' 604' ' ' MET . 45.1 Cg_endo -69.73 77.23 1.07 Allowed 'Trans proline' 0 N--CA 1.464 -0.214 0 C-N-CA 121.991 1.794 . . . . 0.0 111.244 179.377 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 648' ' ' LEU . . . . . 0.499 HD13 HG13 ' A' ' 678' ' ' VAL . 44.7 tp -178.33 117.19 0.08 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.155 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.16 164.76 18.95 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 178.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 650' ' ' GLU . . . . . 0.547 ' HG2' ' H ' ' A' ' 651' ' ' MET . 8.9 tt0 76.45 -153.1 0.03 OUTLIER 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.111 0.481 . . . . 0.0 111.558 178.368 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 651' ' ' MET . . . . . 0.547 ' H ' ' HG2' ' A' ' 650' ' ' GLU . 14.4 ptp -149.33 70.74 1.09 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.972 -179.215 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 652' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.71 72.65 1.5 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.229 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 653' ' ' GLY . . . . . . . . . . . . . . . 86.09 -7.08 79.53 Favored Glycine 0 N--CA 1.451 -0.302 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.183 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 654' ' ' TYR . . . . . 0.433 ' CE1' ' HD3' ' A' ' 626' ' ' ARG . 31.7 t80 -60.07 -44.03 95.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.86 0.362 . . . . 0.0 111.25 -179.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -69.57 -39.55 77.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.798 -179.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 656' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.76 -49.89 75.96 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.83 0.348 . . . . 0.0 111.731 -179.233 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 657' ' ' SER . . . . . 0.487 ' HB2' HH22 ' A' ' 626' ' ' ARG . 1.7 p -67.78 -43.4 79.85 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.83 0.348 . . . . 0.0 111.139 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 658' ' ' LEU . . . . . . . . . . . . . 19.6 tp -62.08 -42.4 99.16 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 659' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -58.47 -45.64 88.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.435 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 4.3 m -68.55 -44.09 75.24 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.305 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 661' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -62.05 -37.45 85.03 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -179.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 51.9 p -99.18 2.9 46.24 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -178.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 66.53 15.89 10.25 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.975 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 664' ' ' GLY . . . . . . . . . . . . . . . 94.5 29.08 9.7 Favored Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 665' ' ' ARG . . . . . 0.651 ' HD2' ' OD1' ' B' ' 29' ' ' ASP . 26.5 mtm180 -131.57 34.87 3.88 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.33 0.586 . . . . 0.0 109.766 -179.393 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . -138.01 131.41 5.42 Favored Glycine 0 N--CA 1.443 -0.882 0 N-CA-C 110.724 -0.95 . . . . 0.0 110.724 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 667' ' ' THR . . . . . . . . . . . . . 10.8 t -137.93 172.01 13.56 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 110.14 -0.318 . . . . 0.0 110.14 -179.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 668' ' ' TYR . . . . . 0.494 ' OH ' ' HB3' ' A' ' 651' ' ' MET . 24.7 p90 -163.7 169.29 18.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.966 0.412 . . . . 0.0 110.692 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 669' ' ' THR . . . . . . . . . . . . . 23.7 m -139.63 126.22 20.49 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 179.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 670' ' ' MET . . . . . . . . . . . . . 10.3 ptm -93.28 145.29 24.56 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 123.187 0.304 . . . . 0.0 111.412 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 671' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -155.66 148.26 24.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.89 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 672' ' ' PHE . . . . . 0.474 ' HA ' ' SD ' ' A' ' 605' ' ' MET . 72.8 t80 -63.28 128.51 36.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.802 0.334 . . . . 0.0 110.523 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -113.55 -73.16 0.67 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -179.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 674' ' ' HIS . . . . . . . . . . . . . 47.3 m80 -140.49 167.32 22.43 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -178.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 675' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -76.74 91.69 3.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.395 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 676' ' ' ALA . . . . . 0.571 ' O ' ' HA ' ' A' ' 603' ' ' PRO . . . -131.85 -176.88 4.2 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 677' ' ' GLU . . . . . 0.431 ' CB ' ' HA ' ' A' ' 600' ' ' ILE . 17.1 pt-20 -112.85 146.25 39.22 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.784 0.326 . . . . 0.0 111.686 -179.22 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 678' ' ' VAL . . . . . 1.13 HG11 ' HB2' ' A' ' 602' ' ' GLU . 0.0 OUTLIER -72.42 175.7 3.0 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.724 178.935 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 679' ' ' PRO . . . . . 0.606 ' HD2' ' HB ' ' A' ' 678' ' ' VAL . 52.4 Cg_exo -53.48 127.49 25.55 Favored 'Trans proline' 0 C--N 1.357 1.021 0 C-N-CA 122.217 1.944 . . . . 0.0 109.905 178.63 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 680' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -50.78 -39.16 51.94 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -178.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 681' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -44.27 90.93 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.134 -0.485 . . . . 0.0 112.148 -179.276 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 682' ' ' ILE . . . . . . . . . . . . . 66.2 mt -75.78 -38.26 36.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.014 0.435 . . . . 0.0 110.683 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 683' ' ' ALA . . . . . 0.523 ' HB3' HD11 ' A' ' 601' ' ' LEU . . . -61.11 -44.38 97.44 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.901 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 684' ' ' GLU . . . . . 0.442 ' HA ' HG21 ' A' ' 687' ' ' ILE . 2.3 pt-20 -74.47 -17.06 60.83 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.253 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -74.42 -50.93 16.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.324 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 686' ' ' ILE . . . . . . . . . . . . . 11.5 pt -68.24 -36.2 74.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.608 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 687' ' ' ILE . . . . . 0.442 HG21 ' HA ' ' A' ' 684' ' ' GLU . 9.0 tp -67.96 -25.5 32.39 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 CA-C-O 120.973 0.415 . . . . 0.0 110.545 179.454 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 688' ' ' LYS . . . . . . . . . . . . . 3.2 ttmm -81.53 -40.7 22.77 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 179.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -64.55 -37.54 87.89 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.98 179.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -70.23 -17.17 63.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.521 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 691' ' ' LYS . . . . . 0.439 ' HD2' ' HA ' ' A' ' 691' ' ' LYS . 4.6 tptt -106.05 -3.76 21.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.729 0.3 . . . . 0.0 111.789 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 692' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.567 -1.129 . . . . 0.0 112.141 179.98 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 65.6 mtt . . . . . 0 N--CA 1.48 1.069 0 CA-C-O 120.896 0.379 . . . . 0.0 111.352 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -78.87 111.56 15.15 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 179.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 6.0 t -153.95 122.27 6.15 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 11.5 mmt -148.88 136.35 20.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.361 -0.836 . . . . 0.0 108.898 178.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 5.6 mt -126.49 73.91 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.756 0.312 . . . . 0.0 110.893 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -144.93 93.98 5.47 Favored Pre-proline 0 C--N 1.325 -0.464 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_exo -63.37 -34.03 67.83 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.802 2.335 . . . . 0.0 111.275 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . 0.66 ' CD2' ' HA ' ' B' ' 201' ' ' ASP . 1.5 t-80 -60.5 -42.78 97.03 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.115 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . 0.414 ' O ' HG13 ' B' ' 13' ' ' ILE . 2.2 mp0 -61.33 -43.44 98.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.654 0.264 . . . . 0.0 111.161 -179.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -64.45 -42.0 96.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.193 0.52 . . . . 0.0 110.315 179.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -64.79 -41.01 96.15 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.796 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -62.0 -42.09 98.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.77 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.414 HG13 ' O ' ' B' ' 9' ' ' GLN . 94.3 mt -57.22 -45.14 84.68 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.958 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . 0.652 ' HA ' HD12 ' B' ' 17' ' ' ILE . 1.4 ttp-105 -74.99 -21.21 59.28 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.408 -179.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 56.5 m -81.09 -35.39 31.75 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -179.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 27.3 m -68.58 -19.46 24.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.676 -0.41 . . . . 0.0 111.115 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.652 HD12 ' HA ' ' B' ' 14' ' ' ARG . 47.6 mt -66.56 -17.45 22.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.533 179.15 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 94.0 mt -69.09 -46.25 68.23 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -179.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.521 ' O ' HG22 ' B' ' 36' ' ' ILE . 39.8 ttt180 -62.59 -22.28 66.26 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 56.1 tp -95.0 -55.69 3.0 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -179.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 38.1 tptt -58.2 -38.85 77.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.671 0.272 . . . . 0.0 111.308 -179.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -67.55 -35.78 79.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.962 0.41 . . . . 0.0 109.908 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.5 HG23 ' O ' ' B' ' 19' ' ' ARG . 2.7 t -66.74 -31.57 54.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.313 179.577 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -66.93 -10.93 54.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.899 178.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 6.9 tmtt? -121.97 -48.26 2.13 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -178.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 3.6 m -79.61 -36.71 37.6 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 113.701 1.001 . . . . 0.0 113.701 -178.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 76.6 t -79.8 117.9 26.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.298 0.571 . . . . 0.0 112.348 -178.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -93.89 38.67 1.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.709 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . 0.651 ' OD1' ' HD2' ' A' ' 665' ' ' ARG . 10.2 t70 -140.44 159.1 42.93 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 179.26 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.436 ' HB3' ' HE2' ' B' ' 30' ' ' LYS . 35.0 ttpt -100.55 -28.78 12.71 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -178.635 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.401 ' HG3' ' OD1' ' A' ' 638' ' ' ASN . 12.7 mm-40 -69.67 -44.48 70.41 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 121.087 -0.245 . . . . 0.0 111.225 -178.679 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' THR . . . . . 0.408 ' O ' HG12 ' B' ' 36' ' ' ILE . 46.2 m -63.64 -34.91 78.9 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 178.531 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.551 HG23 ' O ' ' B' ' 29' ' ' ASP . 25.3 t -61.76 -46.3 96.83 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.507 178.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 45.0 mtmt -63.1 -37.04 85.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.108 179.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . 0.809 HG23 ' HB1' ' A' ' 639' ' ' ALA . 60.4 t -62.31 -47.35 93.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.461 179.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.521 HG22 ' O ' ' B' ' 19' ' ' ARG . 40.9 mm -66.31 -35.3 74.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.347 179.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -59.53 -44.04 93.3 Favored 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 178.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 6.8 m -61.28 -41.83 97.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.397 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.437 ' CD ' HH22 ' A' ' 636' ' ' ARG . 1.3 tp10 -63.15 -53.36 54.5 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.764 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 4.6 m -59.16 -40.55 85.91 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.82 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' TYR . . . . . 0.436 ' HB2' ' HE3' ' B' ' 63' ' ' MET . 87.0 t80 -63.81 -48.28 77.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.515 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -68.95 -37.01 78.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.751 -179.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.08 -55.36 28.27 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.394 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 57.3 mt -68.24 -37.58 78.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.552 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -60.14 -39.96 88.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.927 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -66.06 -22.14 66.41 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 87.8 mt -75.78 -52.73 17.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.931 0.396 . . . . 0.0 110.443 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -84.37 100.29 11.19 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.897 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -59.0 -35.12 82.25 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.169 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 10.9 m170 -124.23 89.8 3.15 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.852 0.358 . . . . 0.0 110.21 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 35.5 pt -73.49 139.67 19.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.072 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -97.63 174.66 6.53 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.741 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.16 -42.96 82.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.458 -179.29 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.66 -41.48 75.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.731 -179.153 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 58.7 mt -59.79 -45.01 95.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 178.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -62.41 -41.8 98.95 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.045 179.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -64.61 -39.78 94.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.472 179.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 12.1 m -66.89 -37.55 84.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.166 179.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 57.4 mt -65.43 -34.74 79.01 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 2.7 ttpm? -64.19 -35.73 81.77 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.221 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 78.6 t -69.17 -36.52 73.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.197 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 59.8 mt -65.39 -24.77 67.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.672 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' MET . . . . . 0.436 ' HE3' ' HB2' ' B' ' 41' ' ' TYR . 22.6 mmt -75.18 -15.49 60.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.993 179.688 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 28.3 t30 -75.0 133.3 41.7 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.835 0.35 . . . . 0.0 110.182 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 35.5 pt -67.37 -23.44 30.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.603 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' B' ' 66' ' ' ARG . 10.0 mtt180 -96.22 51.74 1.23 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.31 0.576 . . . . 0.0 111.021 179.561 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 43.0 tp -78.41 92.33 4.58 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 115.459 -0.792 . . . . 0.0 110.593 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' SER . . . . . 0.437 ' O ' HG13 ' B' ' 72' ' ' ILE . 10.2 p -73.62 164.09 27.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.609 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -65.66 -30.03 70.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.044 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . 0.532 ' HD3' ' HA ' ' B' ' 70' ' ' LYS . 51.3 mmtt -70.64 -36.9 73.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.625 179.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.0 -39.42 93.44 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 178.361 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' ILE . . . . . 0.437 HG13 ' O ' ' B' ' 68' ' ' SER . 56.9 mt -66.19 -42.27 90.79 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.83 179.349 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -56.05 -45.8 79.11 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.862 179.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.36 -44.22 96.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.609 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 95.6 mt -65.06 -46.24 91.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.379 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 69.1 mt -61.91 -42.59 99.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.914 0.387 . . . . 0.0 110.558 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -63.0 -28.57 70.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.289 0.566 . . . . 0.0 110.242 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -78.43 -31.11 47.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.031 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 3.7 m-30 -74.44 -26.8 60.28 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.101 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' LEU . . . . . 0.4 ' HA ' HD12 ' B' ' 80' ' ' LEU . 37.5 tp -60.55 -20.47 60.45 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.258 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -67.16 -24.73 65.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.009 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -95.36 5.07 52.64 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -178.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 2.5 m -137.05 -172.85 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.959 0.409 . . . . 0.0 111.991 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 4.0 m -140.46 148.12 52.28 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.847 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' PRO . . . . . 0.476 ' HB3' ' HG2' ' B' ' 115' ' ' LYS . 90.9 Cg_endo -81.69 -178.26 4.09 Favored 'Trans proline' 0 C--O 1.235 0.333 0 C-N-CA 122.631 2.221 . . . . 0.0 112.41 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -86.47 173.23 9.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.858 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -127.98 139.34 52.62 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.622 -179.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 14.6 mt -94.44 115.09 64.87 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.025 178.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -62.11 142.04 90.76 Favored 'Trans proline' 0 N--CA 1.462 -0.328 0 C-N-CA 122.725 2.283 . . . . 0.0 112.926 -179.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' SER . . . . . 0.587 ' HB2' ' OE1' ' B' ' 92' ' ' GLN . 1.6 p -74.98 159.87 81.89 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.898 179.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -48.58 -43.12 34.48 Favored 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 122.976 2.451 . . . . 0.0 112.586 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' GLN . . . . . 0.587 ' OE1' ' HB2' ' B' ' 90' ' ' SER . 1.0 OUTLIER -62.11 -39.36 92.24 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.685 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -73.47 -36.83 65.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.901 0.382 . . . . 0.0 110.623 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . 0.449 HD21 HG23 ' B' ' 104' ' ' ILE . 16.9 tp -67.36 -45.68 75.63 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.755 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -68.92 -18.62 64.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.171 0.51 . . . . 0.0 110.315 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 25.4 ttpt -71.48 -29.98 65.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.611 178.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 97' ' ' VAL . . . . . . . . . . . . . 24.5 t -91.97 -53.07 9.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.536 179.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 98' ' ' PHE . . . . . 0.537 ' HB3' ' HB ' ' B' ' 101' ' ' VAL . 72.5 m-85 -89.81 64.46 6.44 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.388 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 99' ' ' LYS . . . . . 0.443 ' HB2' ' HE3' ' B' ' 99' ' ' LYS . 34.3 mtmt -69.43 -19.19 63.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.729 -179.078 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -100.52 4.86 43.9 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.041 0.448 . . . . 0.0 111.3 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' VAL . . . . . 0.537 ' HB ' ' HB3' ' B' ' 98' ' ' PHE . 23.7 t -117.76 101.19 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.265 0.555 . . . . 0.0 110.464 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 24.2 mtmt -89.01 149.76 23.1 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.016 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 51.8 mttm 67.57 25.37 8.35 Favored 'General case' 0 N--CA 1.464 0.265 0 O-C-N 123.759 0.662 . . . . 0.0 112.389 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' ILE . . . . . 0.524 ' HB ' HG11 ' B' ' 101' ' ' VAL . 20.7 tt -84.86 141.73 14.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.516 179.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 25.2 tptp -150.53 137.53 19.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.897 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' ILE . . . . . 0.546 HG21 ' HD2' ' B' ' 107' ' ' PRO . 1.1 mp -85.61 131.89 46.2 Favored Pre-proline 0 C--N 1.327 -0.375 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 179.158 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' PRO . . . . . 0.546 ' HD2' HG21 ' B' ' 106' ' ' ILE . 37.4 Cg_endo -67.05 149.1 82.51 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.357 2.038 . . . . 0.0 111.122 179.182 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -74.71 105.52 5.83 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.06 0.457 . . . . 0.0 110.99 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -83.32 -179.12 7.3 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.966 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -96.62 151.38 19.66 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.428 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . 0.452 ' O ' ' HG3' ' B' ' 115' ' ' LYS . 3.6 mt-10 -59.92 -44.54 94.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.711 179.459 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -60.47 -44.21 96.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.079 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -64.05 -36.0 82.56 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.191 -179.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 95.0 mt -72.56 -5.36 36.61 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . 0.476 ' HG2' ' HB3' ' B' ' 85' ' ' PRO . 88.9 mttt -101.21 -5.79 25.1 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.878 0.37 . . . . 0.0 110.637 179.481 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 4.3 m -130.24 13.76 2.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.621 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 45.6 m -119.69 133.54 55.59 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.245 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 118' ' ' SER . . . . . . . . . . . . . 7.1 m -103.9 -9.22 19.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.802 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -152.81 136.68 16.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.657 179.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 34.9 t -105.44 116.94 50.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 121' ' ' GLY . . . . . 0.506 ' HA2' ' O ' ' B' ' 131' ' ' TYR . . . -133.84 101.89 0.44 Allowed Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.412 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 122' ' ' TRP . . . . . . . . . . . . . 26.1 p90 -98.6 152.47 19.56 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.934 0.397 . . . . 0.0 110.73 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -106.79 136.37 46.73 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.057 -179.518 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -110.25 114.65 28.3 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 179.59 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 13.2 tp -87.82 32.69 0.73 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.119 0.485 . . . . 0.0 112.209 -178.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -96.41 -47.6 5.92 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 179.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.84 4.52 9.43 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.19 -0.914 . . . . 0.0 109.336 178.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 67.82 65.19 0.38 Allowed 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.983 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 76.8 mtm180 -141.63 148.6 39.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.187 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -114.42 130.45 56.71 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.851 178.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 131' ' ' TYR . . . . . 0.506 ' O ' ' HA2' ' B' ' 121' ' ' GLY . 52.0 m-85 -104.82 117.72 34.75 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 132' ' ' ILE . . . . . 0.46 ' HB ' HD12 ' B' ' 144' ' ' LEU . 55.0 mt -113.95 122.95 69.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.919 0.39 . . . . 0.0 111.283 -179.362 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 133' ' ' ILE . . . . . 0.421 HG22 HD11 ' B' ' 133' ' ' ILE . 21.5 pt -121.94 140.72 45.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.11 179.217 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 134' ' ' TYR . . . . . . . . . . . . . 27.5 p90 -156.48 -170.64 3.41 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.593 0.711 . . . . 0.0 110.927 -179.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 135' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -126.39 128.9 47.76 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.272 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -86.4 178.11 7.23 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.294 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 137' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -57.79 -22.67 48.51 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.665 0.987 . . . . 0.0 113.665 -178.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -85.44 6.11 28.2 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 122.455 -0.153 . . . . 0.0 111.203 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 139' ' ' LYS . . . . . . . . . . . . . 99.8 mttt 65.48 34.82 7.7 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.277 0.56 . . . . 0.0 110.937 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -111.76 141.76 44.97 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.571 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 23.9 tp -78.04 125.82 29.92 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 142' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp -129.68 130.85 46.05 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 143' ' ' GLY . . . . . . . . . . . . . . . -137.67 147.29 19.14 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.609 -179.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 144' ' ' LEU . . . . . 0.46 HD12 ' HB ' ' B' ' 132' ' ' ILE . 0.8 OUTLIER -144.82 164.83 29.86 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 179.755 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 19.7 p90 -137.64 148.71 46.0 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.619 0.247 . . . . 0.0 110.565 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . -150.64 156.15 26.55 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.971 -0.633 . . . . 0.0 111.87 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 12.2 mp0 -68.94 151.63 46.3 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.732 0.301 . . . . 0.0 111.223 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 148' ' ' ILE . . . . . 0.437 ' HA ' ' O ' ' B' ' 168' ' ' LEU . 20.6 tt -131.27 138.71 52.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.736 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 149' ' ' SER . . . . . 0.443 ' OG ' ' HB3' ' B' ' 168' ' ' LEU . 1.2 m -69.56 142.19 53.65 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 120.891 0.377 . . . . 0.0 111.409 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 150' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -80.25 48.44 1.01 Allowed 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 121.686 0.755 . . . . 0.0 110.189 179.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 151' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -156.57 144.12 19.17 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.789 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 2.0 t -119.85 100.68 9.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.721 -0.218 . . . . 0.0 111.061 -179.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 153' ' ' VAL . . . . . 0.439 ' H ' HG22 ' B' ' 153' ' ' VAL . 3.1 m -107.42 -173.44 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-O 121.144 0.497 . . . . 0.0 111.204 179.406 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 154' ' ' LYS . . . . . . . . . . . . . 7.9 mtmt -112.19 128.88 56.36 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.953 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -160.56 -170.35 25.04 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.288 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 156' ' ' PHE . . . . . 0.502 ' N ' ' HA ' ' A' ' 558' ' ' PRO . 0.6 OUTLIER -110.0 103.94 12.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.135 0.493 . . . . 0.0 110.1 179.766 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 157' ' ' CYS . . . . . 0.755 ' SG ' ' HA ' ' B' ' 188' ' ' ILE . 43.1 t -69.81 141.85 53.25 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.125 -179.505 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 158' ' ' THR . . . . . 0.8 HG22 ' HA3' ' A' ' 519' ' ' GLY . 0.1 OUTLIER -66.28 -27.77 68.19 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.953 179.74 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 159' ' ' ILE . . . . . 0.493 ' O ' ' HB3' ' B' ' 204' ' ' GLN . 57.6 mt -66.14 -82.25 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -178.421 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 160' ' ' CYS . . . . . . . . . . . . . 11.2 p -78.82 -16.63 56.87 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 121.12 -0.232 . . . . 0.0 111.548 -178.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 161' ' ' ASN . . . . . 0.556 ' HA ' ' O ' ' B' ' 157' ' ' CYS . 0.7 OUTLIER 50.39 57.69 6.32 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.982 0.896 . . . . 0.0 111.372 -178.638 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 40.8 mmtm -132.31 -170.82 2.5 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.394 -1.276 . . . . 0.0 109.066 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 163' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -115.95 115.1 25.58 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.946 0.403 . . . . 0.0 111.132 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 164' ' ' SER . . . . . . . . . . . . . 55.9 m -164.29 -178.64 5.61 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.694 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 165' ' ' ASN . . . . . . . . . . . . . 21.3 m-20 -68.5 113.24 5.87 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 166' ' ' VAL . . . . . . . . . . . . . 35.2 m -116.11 -178.91 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.812 0.815 . . . . 0.0 113.134 -178.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 60.1 m -157.24 -165.04 1.72 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.424 -1.262 . . . . 0.0 108.145 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 168' ' ' LEU . . . . . 0.788 HD12 ' HB3' ' A' ' 522' ' ' PHE . 17.3 tp -114.77 140.2 49.1 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.105 0.479 . . . . 0.0 112.117 -179.08 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 169' ' ' PHE . . . . . 1.019 ' HB2' HG12 ' B' ' 188' ' ' ILE . 50.3 t80 -118.09 96.97 5.57 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 176.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 170' ' ' MET . . . . . 0.457 ' HG3' ' OE2' ' A' ' 523' ' ' GLU . 50.5 ttm -91.67 124.12 35.58 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.337 -178.564 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 171' ' ' LYS . . . . . 0.5 ' HD3' ' HB3' ' B' ' 212' ' ' LEU . 18.2 tttm -131.26 139.55 49.66 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.177 0.513 . . . . 0.0 110.087 179.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 172' ' ' LYS . . . . . 0.469 ' HD3' ' CE1' ' B' ' 181' ' ' TYR . 85.2 mttt -103.11 153.82 19.92 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 179.149 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 173' ' ' SER . . . . . . . . . . . . . 45.2 p -77.29 175.94 9.25 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.82 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 174' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -70.14 115.8 9.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.643 0.259 . . . . 0.0 110.462 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 175' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.92 126.36 25.42 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.018 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 176' ' ' ASN . . . . . . . . . . . . . 39.2 p30 -77.46 -175.42 3.77 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.229 -0.441 . . . . 0.0 112.081 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 177' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.75 -31.5 70.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.934 -0.575 . . . . 0.0 112.38 -179.359 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 178' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -79.68 -17.8 52.82 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.944 0.402 . . . . 0.0 111.133 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 179' ' ' GLY . . . . . . . . . . . . . . . 93.96 18.26 37.88 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.726 -0.75 . . . . 0.0 111.836 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -99.12 156.26 17.04 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 179.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 181' ' ' TYR . . . . . 0.469 ' CE1' ' HD3' ' B' ' 172' ' ' LYS . 53.9 p90 -157.29 176.05 13.2 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.725 0.298 . . . . 0.0 110.739 -179.008 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 182' ' ' VAL . . . . . 0.519 HG12 ' OE1' ' A' ' 525' ' ' GLU . 46.6 t -123.82 136.84 58.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 178.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 183' ' ' LYS . . . . . 1.011 ' HB2' ' HG2' ' A' ' 525' ' ' GLU . 15.4 mtpt -98.24 143.7 28.46 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 184' ' ' LYS . . . . . 0.426 ' HE2' ' O ' ' B' ' 211' ' ' LYS . 1.5 ptmt -154.09 104.54 2.64 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.248 0.547 . . . . 0.0 111.699 179.703 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 185' ' ' GLY . . . . . . . . . . . . . . . -109.2 144.64 16.54 Favored Glycine 0 N--CA 1.439 -1.146 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.026 178.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 186' ' ' ASP . . . . . 0.555 ' CG ' ' HZ2' ' B' ' 211' ' ' LYS . 0.1 OUTLIER -134.31 163.0 30.63 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 187' ' ' TYR . . . . . 0.762 ' HE1' ' HB2' ' A' ' 522' ' ' PHE . 3.2 m-85 -77.29 128.68 34.74 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.14 0.495 . . . . 0.0 110.857 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 188' ' ' ILE . . . . . 1.019 HG12 ' HB2' ' B' ' 169' ' ' PHE . 1.6 pp -133.13 146.91 31.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.442 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 189' ' ' CYS . . . . . 0.434 ' HB2' ' HB2' ' B' ' 195' ' ' CYS . 35.0 m -70.93 129.13 38.23 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 178.283 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 190' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' B' ' 190' ' ' ARG . 17.3 ttm-85 -52.8 -59.45 4.48 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.957 0.408 . . . . 0.0 111.133 -179.256 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 191' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -82.86 101.64 11.11 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.984 179.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 192' ' ' SER . . . . . . . . . . . . . 70.8 m -63.84 -20.06 65.52 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -179.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 193' ' ' ILE . . . . . . . . . . . . . 30.3 mt -70.99 -49.85 46.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 194' ' ' HIS . . . . . . . . . . . . . 62.2 t60 -63.46 -30.48 71.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.279 178.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 195' ' ' CYS . . . . . 0.718 ' SG ' 'ZN ' ' B' ' 301' ' ' ' ZN' . 51.2 t -75.29 -33.58 61.23 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.156 179.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 196' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -64.96 -39.26 93.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.928 0.394 . . . . 0.0 110.581 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 197' ' ' LYS . . . . . . . . . . . . . 42.4 mttt -73.65 -7.83 53.54 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.914 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 198' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -105.88 6.21 31.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.267 179.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 199' ' ' LEU . . . . . . . . . . . . . 17.5 tp -75.73 88.33 2.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.193 -179.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 200' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.57 -38.18 83.72 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.451 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 201' ' ' ASP . . . . . 0.66 ' HA ' ' CD2' ' B' ' 8' ' ' HIS . 57.9 t0 -146.09 138.33 25.27 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.292 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 202' ' ' ILE . . . . . . . . . . . . . 18.3 tt -71.41 -23.87 23.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.219 0.533 . . . . 0.0 109.976 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 203' ' ' ASN . . . . . . . . . . . . . 59.5 m-80 -66.68 -26.16 66.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.936 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 204' ' ' GLN . . . . . 0.493 ' HB3' ' O ' ' B' ' 159' ' ' ILE . 22.1 mt-30 -67.58 -36.68 81.36 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 178.331 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 205' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -75.08 -40.57 60.0 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.291 178.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 206' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -63.09 -35.05 78.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.806 179.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 207' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -67.79 -34.93 77.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.571 0.701 . . . . 0.0 109.959 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 208' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -64.19 -41.89 96.9 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.66 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 209' ' ' ILE . . . . . . . . . . . . . 45.0 mm -65.42 -35.38 75.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.742 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 210' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -67.81 -16.91 64.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.635 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 211' ' ' LYS . . . . . 0.555 ' HZ2' ' CG ' ' B' ' 186' ' ' ASP . 66.4 tttt -99.63 -12.22 20.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.579 -178.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 212' ' ' LEU . . . . . 0.5 ' HB3' ' HD3' ' B' ' 171' ' ' LYS . 35.1 mt -79.32 -18.76 51.93 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 -178.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 213' ' ' ASP . . . . . . . . . . . . . 2.1 t70 . . . . . 0 C--O 1.247 0.932 0 CA-C-O 118.648 -0.691 . . . . 0.0 110.688 -179.709 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 301' ' ' ' ZN' . . . . . 0.718 'ZN ' ' SG ' ' B' ' 195' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 401' ' ' MET . . . . . . . . . . . . . 16.3 ttt . . . . . 0 N--CA 1.48 1.03 0 CA-C-O 120.696 0.284 . . . . 0.0 110.358 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -83.5 168.18 16.71 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.6 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 403' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -116.66 94.7 44.34 Favored Pre-proline 0 C--N 1.323 -0.57 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 404' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.45 80.58 2.5 Favored 'Trans proline' 0 CA--C 1.529 0.249 0 C-N-CA 122.809 2.339 . . . . 0.0 113.019 -179.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -121.38 101.97 43.22 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.618 179.306 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 406' ' ' PRO . . . . . 0.55 ' O ' ' HA ' ' A' ' 453' ' ' MET . 3.9 Cg_exo -76.95 -112.24 0.01 OUTLIER 'Trans proline' 0 CA--C 1.532 0.419 0 C-N-CA 123.264 2.642 . . . . 0.0 112.771 -179.405 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 407' ' ' VAL . . . . . 0.522 ' H ' ' HB2' ' A' ' 406' ' ' PRO . 11.9 m -95.83 133.16 37.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.232 0.539 . . . . 0.0 112.334 -178.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 408' ' ' ILE . . . . . 0.427 ' O ' ' HA2' ' A' ' 451' ' ' GLY . 7.3 tt -128.7 132.62 67.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.979 179.3 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -105.05 134.81 47.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.863 0.364 . . . . 0.0 111.344 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 410' ' ' LEU . . . . . . . . . . . . . 52.6 tp -132.97 141.16 48.17 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.655 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 411' ' ' SER . . . . . 0.506 ' HB2' ' OE1' ' A' ' 413' ' ' GLU . 0.1 OUTLIER -96.28 134.1 39.81 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 179.42 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 412' ' ' VAL . . . . . . . . . . . . . 2.1 t -128.39 79.26 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.34 0.591 . . . . 0.0 110.41 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 413' ' ' GLU . . . . . 0.631 ' HG3' ' HB3' ' A' ' 447' ' ' GLN . 7.6 mp0 -78.06 132.11 67.98 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.701 -179.036 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 414' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -76.16 172.67 15.83 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.996 2.464 . . . . 0.0 113.486 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 415' ' ' LYS . . . . . 0.468 ' HD2' ' HB3' ' A' ' 472' ' ' GLU . 24.8 tttt -85.31 -61.02 1.86 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.574 -179.641 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 94.1 p -120.87 -174.98 2.94 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.043 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 23.4 pttm -71.19 -26.06 62.79 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.249 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 418' ' ' ALA . . . . . . . . . . . . . . . -68.08 -37.72 81.57 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 178.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 419' ' ' ASP . . . . . 0.523 ' HB3' HG23 ' A' ' 471' ' ' VAL . 26.1 m-20 -69.74 -32.0 70.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.61 179.103 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 420' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -61.77 -43.43 98.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.94 178.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 421' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -64.6 -42.17 95.73 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 58.0 mttm -61.3 -43.77 98.33 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.342 179.015 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 423' ' ' MET . . . . . 0.562 ' O ' ' HG ' ' A' ' 427' ' ' LEU . 62.4 tpp -62.77 -47.54 83.07 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.175 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 424' ' ' THR . . . . . . . . . . . . . 8.4 m -59.08 -39.6 82.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.001 0.429 . . . . 0.0 110.443 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 425' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -71.09 -35.28 71.79 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.216 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 426' ' ' ALA . . . . . 0.438 ' HA ' ' CZ ' ' A' ' 469' ' ' PHE . . . -66.44 -42.88 86.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.868 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 427' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' A' ' 423' ' ' MET . 90.3 mt -55.93 -35.07 66.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.12 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 428' ' ' VAL . . . . . 0.474 ' O ' ' HG3' ' A' ' 432' ' ' GLU . 90.0 t -66.47 -60.17 2.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.064 179.713 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -61.3 -37.29 82.69 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -178.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -69.08 -42.8 75.71 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -65.39 -29.07 69.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.679 0.276 . . . . 0.0 111.426 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 432' ' ' GLU . . . . . 0.474 ' HG3' ' O ' ' A' ' 428' ' ' VAL . 14.1 mt-10 -81.8 -25.4 35.25 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.316 -0.402 . . . . 0.0 109.936 179.039 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 433' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.56 -47.68 31.22 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.402 179.55 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 434' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -137.67 103.65 8.44 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.951 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 435' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -83.36 24.86 0.72 Allowed 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 123.082 2.522 . . . . 0.0 112.748 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.96 11.04 38.79 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.82 0.343 . . . . 0.0 111.88 -179.013 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 437' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -138.31 170.0 16.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.673 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 438' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -130.76 144.61 51.57 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.653 -0.249 . . . . 0.0 110.738 -179.53 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 439' ' ' ALA . . . . . . . . . . . . . . . -136.81 128.23 28.37 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.985 179.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -132.2 149.49 52.37 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.669 0.271 . . . . 0.0 111.456 -179.51 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 1.4 m -114.57 67.84 0.69 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.19 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -156.36 -89.95 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.164 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 443' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 56.65 -162.03 0.19 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.194 0.521 . . . . 0.0 112.078 179.361 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -116.02 -36.73 4.03 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.216 179.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.34 61.05 1.68 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.796 -179.591 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 446' ' ' GLY . . . . . . . . . . . . . . . -175.71 172.27 45.29 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.841 -0.695 . . . . 0.0 111.874 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 447' ' ' GLN . . . . . 0.631 ' HB3' ' HG3' ' A' ' 413' ' ' GLU . 5.0 tp-100 -107.72 -53.35 2.64 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 179.482 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 448' ' ' VAL . . . . . 0.459 HG23 ' HG3' ' A' ' 447' ' ' GLN . 8.6 t -125.5 105.01 14.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.165 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 449' ' ' ILE . . . . . . . . . . . . . 1.2 tt -99.79 123.02 52.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 120.953 0.406 . . . . 0.0 111.217 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 2.9 mp -116.68 132.97 64.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.606 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 451' ' ' GLY . . . . . 0.427 ' HA2' ' O ' ' A' ' 408' ' ' ILE . . . -130.12 134.46 7.86 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 121.02 -0.609 . . . . 0.0 111.579 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 452' ' ' GLY . . . . . . . . . . . . . . . -151.76 175.87 30.36 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.941 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 453' ' ' MET . . . . . 0.55 ' HA ' ' O ' ' A' ' 406' ' ' PRO . 1.2 ppp? -92.52 121.43 33.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.726 0.298 . . . . 0.0 110.936 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 454' ' ' GLY . . . . . . . . . . . . . . . 87.61 140.5 6.67 Favored Glycine 0 CA--C 1.518 0.271 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.946 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 455' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.67 -28.81 61.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.921 0.391 . . . . 0.0 111.162 -179.535 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 456' ' ' LEU . . . . . . . . . . . . . 38.1 tp -67.28 -35.73 80.08 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.557 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 457' ' ' HIS . . . . . 0.494 ' O ' ' HG ' ' A' ' 461' ' ' LEU . 2.0 t-160 -63.75 -36.76 84.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.453 178.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.69 -39.06 84.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.56 179.49 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -61.99 -41.97 98.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.771 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 460' ' ' ILE . . . . . . . . . . . . . 45.0 mm -61.82 -38.56 80.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.18 179.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 461' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 457' ' ' HIS . 79.2 mt -67.62 -50.58 57.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.967 -0.56 . . . . 0.0 112.123 -179.402 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 32.5 m -64.59 -27.83 43.45 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-O 121.069 0.461 . . . . 0.0 110.822 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 463' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -63.82 -46.03 86.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.79 178.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 -60.77 -37.36 81.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.044 179.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 465' ' ' MET . . . . . 0.4 ' O ' HG12 ' A' ' 471' ' ' VAL . 63.8 mtt -58.83 -55.93 28.75 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.013 -0.54 . . . . 0.0 112.1 -179.185 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 44.4 mttt -79.9 -32.44 40.25 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -178.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 467' ' ' LYS . . . . . 0.831 ' HA ' ' HE2' ' A' ' 467' ' ' LYS . 10.3 mmpt? -83.46 -39.57 20.38 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 -178.082 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -98.04 -36.89 9.96 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 -178.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 469' ' ' PHE . . . . . 0.438 ' CZ ' ' HA ' ' A' ' 426' ' ' ALA . 78.8 m-85 -102.35 -2.46 28.9 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -178.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 470' ' ' ASN . . . . . . . . . . . . . 10.6 p30 44.47 36.05 1.54 Allowed 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 471' ' ' VAL . . . . . 0.523 HG23 ' HB3' ' A' ' 419' ' ' ASP . 3.9 p -88.9 129.78 39.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.465 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 472' ' ' GLU . . . . . 0.468 ' HB3' ' HD2' ' A' ' 415' ' ' LYS . 0.1 OUTLIER -85.98 118.24 25.33 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 179.504 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 473' ' ' CYS . . . . . . . . . . . . . 1.3 p -148.1 164.93 32.37 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.714 -179.035 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 474' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -122.96 118.07 26.97 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.891 179.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 475' ' ' VAL . . . . . . . . . . . . . 8.8 m -73.16 121.94 24.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.945 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . 91.2 58.06 1.51 Allowed Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 115.94 -0.573 . . . . 0.0 112.601 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 477' ' ' ALA . . . . . 0.4 ' HA ' ' HD3' ' A' ' 478' ' ' PRO . . . -134.0 155.69 79.92 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 120.537 0.208 . . . . 0.0 111.027 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 478' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 477' ' ' ALA . 65.9 Cg_endo -100.55 148.1 0.39 Allowed 'Trans proline' 0 CA--C 1.535 0.575 0 C-N-CA 123.424 2.75 . . . . 0.0 111.669 178.192 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 479' ' ' MET . . . . . 0.429 ' HG2' ' H ' ' A' ' 480' ' ' VAL . 11.3 ttt -167.16 167.29 14.45 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.852 -0.158 . . . . 0.0 110.675 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 480' ' ' VAL . . . . . 0.429 ' H ' ' HG2' ' A' ' 479' ' ' MET . 1.6 m -146.46 165.32 8.34 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 C-N-CA 122.585 0.354 . . . . 0.0 110.336 179.409 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 481' ' ' SER . . . . . 0.534 ' HA ' ' OE2' ' A' ' 650' ' ' GLU . 51.7 m -152.74 140.94 20.45 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 122.41 0.284 . . . . 0.0 110.528 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 482' ' ' TYR . . . . . 0.619 ' O ' ' HB2' ' A' ' 483' ' ' ARG . 37.0 m-85 -141.69 -164.36 1.76 Allowed 'General case' 0 N--CA 1.471 0.624 0 O-C-N 123.107 0.254 . . . . 0.0 111.004 -179.279 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 483' ' ' ARG . . . . . 0.619 ' HB2' ' O ' ' A' ' 482' ' ' TYR . 1.4 tpp180 159.1 111.86 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.524 1.129 . . . . 0.0 110.207 179.3 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 484' ' ' GLU . . . . . 0.571 ' HB2' ' HG3' ' A' ' 602' ' ' GLU . 2.6 mp0 -110.83 156.51 21.02 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -178.312 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 485' ' ' THR . . . . . 0.592 ' O ' ' HB2' ' A' ' 486' ' ' PHE . 88.0 m -164.89 122.74 1.64 Allowed 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -179.024 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 486' ' ' PHE . . . . . 0.604 ' CE2' ' HA ' ' A' ' 515' ' ' PRO . 0.4 OUTLIER 164.27 151.71 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 124.224 1.01 . . . . 0.0 111.108 176.872 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 487' ' ' LYS . . . . . 0.659 ' HG3' HD12 ' A' ' 600' ' ' ILE . 13.0 tmtt? 175.37 149.37 0.1 Allowed 'General case' 0 N--CA 1.468 0.435 0 O-C-N 123.438 0.461 . . . . 0.0 110.84 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 488' ' ' SER . . . . . 0.434 ' OG ' ' HD3' ' A' ' 487' ' ' LYS . 49.8 m 70.64 176.09 0.28 Allowed 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 177.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 489' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -149.74 150.44 32.07 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 114.665 -1.152 . . . . 0.0 108.18 179.081 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 490' ' ' ALA . . . . . . . . . . . . . . . 178.74 177.65 0.46 Allowed 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.817 0.342 . . . . 0.0 111.15 -178.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 491' ' ' GLN . . . . . . . . . . . . . 14.8 tm0? -108.66 119.72 40.36 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 178.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 12.0 t -103.85 140.49 21.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 121.018 0.437 . . . . 0.0 111.718 -178.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 493' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -100.36 139.39 36.11 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 178.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -133.12 110.46 0.91 Allowed Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.305 -0.95 . . . . 0.0 111.544 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -132.44 133.55 44.01 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 496' ' ' PHE . . . . . 0.475 ' O ' ' HA ' ' A' ' 506' ' ' TYR . 41.8 t80 -141.8 121.46 13.4 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 179.309 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 8.3 t -138.69 122.3 17.42 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -156.78 165.83 35.11 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.887 0.375 . . . . 0.0 111.065 179.671 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 499' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -153.34 76.07 1.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 178.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 5.3 m -119.09 43.77 2.5 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.162 -178.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . -177.12 39.04 0.09 OUTLIER Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.119 -1.039 . . . . 0.0 112.692 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 81.5 -48.53 3.85 Favored Glycine 0 N--CA 1.453 -0.206 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.218 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 503' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 -96.99 158.12 15.58 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.992 0.425 . . . . 0.0 110.716 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 504' ' ' GLY . . . . . . . . . . . . . . . -104.41 156.71 17.16 Favored Glycine 0 N--CA 1.442 -0.908 0 N-CA-C 111.064 -0.815 . . . . 0.0 111.064 179.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 505' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -141.83 137.9 31.8 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 506' ' ' TYR . . . . . 0.475 ' HA ' ' O ' ' A' ' 496' ' ' PHE . 66.9 t80 -143.54 137.9 28.77 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.013 0.435 . . . . 0.0 111.759 -179.461 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -142.3 124.47 2.43 Favored Glycine 0 N--CA 1.443 -0.857 0 N-CA-C 110.673 -0.971 . . . . 0.0 110.673 178.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 508' ' ' ASP . . . . . 0.422 ' HB3' ' HB2' ' A' ' 570' ' ' SER . 4.4 t70 -131.72 122.52 26.02 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 2.9 m -143.89 154.93 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.265 0.555 . . . . 0.0 111.713 -178.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 510' ' ' HIS . . . . . 0.654 ' HB2' ' HB3' ' A' ' 568' ' ' ASP . 28.0 m170 -134.84 109.43 8.52 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 178.542 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 511' ' ' ILE . . . . . . . . . . . . . 1.7 mt -125.03 147.49 29.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -177.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -113.21 137.0 52.12 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 177.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 14.4 p90 -125.2 147.25 49.14 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.524 -0.471 . . . . 0.0 111.994 -179.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 514' ' ' THR . . . . . . . . . . . . . 2.7 p -140.41 150.12 59.89 Favored Pre-proline 0 CA--C 1.534 0.332 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.467 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 515' ' ' PRO . . . . . 0.604 ' HA ' ' CE2' ' A' ' 486' ' ' PHE . 72.8 Cg_endo -76.83 156.41 34.94 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.809 2.339 . . . . 0.0 112.72 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 516' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -161.57 46.06 0.18 Allowed 'General case' 0 CA--C 1.533 0.296 0 CA-C-O 121.222 0.534 . . . . 0.0 109.842 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -78.89 1.81 22.26 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 -178.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 518' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.31 97.72 3.08 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.931 0.396 . . . . 0.0 110.697 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 519' ' ' GLY . . . . . 0.827 ' HA3' HG23 ' B' ' 158' ' ' THR . . . 73.19 5.08 65.22 Favored Glycine 0 CA--C 1.528 0.857 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.059 -178.492 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 520' ' ' ALA . . . . . 0.57 ' HB3' ' HB2' ' B' ' 187' ' ' TYR . . . 102.55 163.37 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 125.659 1.584 . . . . 0.0 112.66 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . -129.93 -116.21 1.84 Allowed Glycine 0 C--N 1.341 0.84 0 C-N-CA 120.791 -0.719 . . . . 0.0 114.173 -178.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 522' ' ' PHE . . . . . 0.874 ' HB3' HD13 ' B' ' 168' ' ' LEU . 1.0 OUTLIER 87.86 87.58 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.917 0.887 . . . . 0.0 112.011 -179.681 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 523' ' ' GLU . . . . . 0.605 ' O ' ' HA ' ' A' ' 563' ' ' LYS . 10.0 tp10 -164.03 137.22 5.26 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 113.021 0.748 . . . . 0.0 113.021 179.329 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -131.48 100.14 5.05 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.176 -0.92 . . . . 0.0 108.588 178.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 525' ' ' GLU . . . . . 1.02 ' HG2' ' HB2' ' B' ' 183' ' ' LYS . 31.8 mt-10 -80.87 153.44 27.62 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 -177.476 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 12.7 p30 -122.08 140.68 52.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.307 -0.861 . . . . 0.0 109.732 178.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 527' ' ' ALA . . . . . . . . . . . . . . . -101.68 7.2 42.09 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -179.179 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 528' ' ' ILE . . . . . 0.405 HG23 HG21 ' A' ' 538' ' ' ILE . 7.0 mt 56.4 38.02 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 CA-C-O 121.333 0.587 . . . . 0.0 111.77 179.633 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 529' ' ' VAL . . . . . . . . . . . . . 11.4 p -158.36 162.61 1.39 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.027 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 102.03 -88.64 0.7 Allowed Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.222 179.298 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 531' ' ' GLY . . . . . . . . . . . . . . . -107.09 14.9 40.23 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.655 -0.783 . . . . 0.0 111.51 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 532' ' ' VAL . . . . . 0.4 HG21 HG22 ' A' ' 538' ' ' ILE . 11.3 m -136.27 146.66 28.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.755 0.312 . . . . 0.0 111.196 -179.46 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 533' ' ' VAL . . . . . 0.884 ' HB ' ' HD3' ' A' ' 534' ' ' PRO . 43.2 t -127.43 -60.05 0.03 OUTLIER Pre-proline 0 CA--C 1.535 0.367 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.379 179.352 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 534' ' ' PRO . . . . . 0.884 ' HD3' ' HB ' ' A' ' 533' ' ' VAL . 24.5 Cg_exo -66.07 153.03 79.73 Favored 'Trans proline' 0 C--N 1.357 1.015 0 C-N-CA 122.214 1.943 . . . . 0.0 111.558 179.368 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 535' ' ' ARG . . . . . 0.593 ' O ' HG12 ' A' ' 538' ' ' ILE . 8.0 ttt-85 -62.33 -47.52 83.88 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -179.145 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -78.37 9.96 3.47 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.864 0.69 . . . . 0.0 112.864 -178.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 537' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -102.36 -2.41 28.95 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.128 0.49 . . . . 0.0 111.157 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 538' ' ' ILE . . . . . 0.603 HG13 ' HD3' ' A' ' 539' ' ' PRO . 30.2 pt -75.59 -41.86 3.74 Favored Pre-proline 0 CA--C 1.542 0.672 0 N-CA-C 115.249 1.574 . . . . 0.0 115.249 -179.248 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 539' ' ' PRO . . . . . 0.603 ' HD3' HG13 ' A' ' 538' ' ' ILE . 55.9 Cg_endo -67.67 -19.73 47.47 Favored 'Trans proline' 0 C--N 1.362 1.285 0 C-N-CA 121.468 1.446 . . . . 0.0 112.551 -179.523 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 540' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.59 -64.95 0.74 Allowed 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.726 -179.548 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 44.3 t -59.62 -39.07 78.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 542' ' ' GLU . . . . . 0.586 ' HG2' ' HA ' ' A' ' 539' ' ' PRO . 13.4 pt-20 -61.01 -45.03 96.45 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 120.771 -0.371 . . . . 0.0 111.64 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 543' ' ' ALA . . . . . . . . . . . . . . . -68.36 -36.46 79.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.532 178.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -64.14 -36.9 93.82 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 121.021 -0.609 . . . . 0.0 112.305 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.57 -33.61 76.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.865 0.365 . . . . 0.0 111.124 179.639 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 546' ' ' LYS . . . . . 0.763 ' O ' ' HG2' ' A' ' 550' ' ' GLU . 15.0 tptp -76.9 -28.42 55.34 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.889 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 547' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -59.69 -45.9 90.7 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.329 0.585 . . . . 0.0 110.372 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -69.24 -44.74 71.36 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.458 178.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 549' ' ' MET . . . . . . . . . . . . . 52.1 tpp -49.14 -51.4 32.49 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.419 179.149 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 550' ' ' GLU . . . . . 0.763 ' HG2' ' O ' ' A' ' 546' ' ' LYS . 0.6 OUTLIER -65.89 -9.63 31.04 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -179.056 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 551' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -92.62 -10.29 37.95 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.83 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . -121.06 -27.66 1.82 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.35 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 553' ' ' VAL . . . . . 0.51 HG22 ' H ' ' A' ' 554' ' ' LEU . 1.9 p -119.47 173.8 5.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.692 0.282 . . . . 0.0 110.563 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 554' ' ' LEU . . . . . 0.601 HD23 ' H ' ' A' ' 554' ' ' LEU . 1.1 pt? -101.7 137.09 40.47 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.405 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -134.36 147.64 50.57 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.032 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 556' ' ' GLY . . . . . 0.539 ' CA ' HG21 ' B' ' 153' ' ' VAL . . . 92.16 59.06 1.33 Allowed Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.851 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 557' ' ' TYR . . . . . 0.515 ' HB3' ' HD2' ' A' ' 558' ' ' PRO . 29.8 m-85 -140.95 166.39 22.98 Favored Pre-proline 0 C--N 1.329 -0.318 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 558' ' ' PRO . . . . . 0.571 ' HA ' ' N ' ' B' ' 156' ' ' PHE . 26.1 Cg_exo -35.01 -80.73 0.02 OUTLIER 'Trans proline' 0 C--N 1.354 0.852 0 C-N-CA 124.243 3.295 . . . . 0.0 115.408 -178.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 559' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -115.23 72.69 0.8 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.507 0.194 . . . . 0.0 111.057 -179.005 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 560' ' ' ILE . . . . . 0.557 ' CG2' ' HA ' ' A' ' 484' ' ' GLU . 8.7 pt -138.92 -165.03 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 112.55 0.574 . . . . 0.0 112.55 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 561' ' ' ASP . . . . . 0.512 ' HB3' ' N ' ' A' ' 522' ' ' PHE . 0.2 OUTLIER 83.63 124.33 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 114.276 -1.329 . . . . 0.0 113.009 179.716 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 562' ' ' VAL . . . . . 0.526 ' HA ' ' CE2' ' A' ' 486' ' ' PHE . 5.8 m -81.84 158.45 4.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 114.788 -1.096 . . . . 0.0 113.496 -176.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 563' ' ' LYS . . . . . 0.605 ' HA ' ' O ' ' A' ' 523' ' ' GLU . 32.0 tttm -122.31 101.07 7.29 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 177.192 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -109.94 166.65 10.77 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.952 -177.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 565' ' ' LYS . . . . . . . . . . . . . 49.6 mttm -136.91 113.67 10.33 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.058 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -81.98 107.49 14.73 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 178.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 567' ' ' TYR . . . . . . . . . . . . . 21.4 p90 -112.56 -15.44 13.04 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 -177.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 568' ' ' ASP . . . . . 0.654 ' HB3' ' HB2' ' A' ' 510' ' ' HIS . 24.8 t0 -157.41 160.6 38.55 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.549 -0.46 . . . . 0.0 112.074 -179.531 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 178.33 161.3 26.07 Favored Glycine 0 N--CA 1.446 -0.65 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.385 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 570' ' ' SER . . . . . 0.422 ' HB2' ' HB3' ' A' ' 508' ' ' ASP . 5.0 m -142.47 123.58 14.56 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.705 -0.479 . . . . 0.0 109.705 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 571' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -128.27 -40.63 1.62 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 572' ' ' HIS . . . . . . . . . . . . . 42.9 t60 64.28 -93.2 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.692 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 573' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -166.79 102.42 0.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.701 0.286 . . . . 0.0 110.334 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 1.4 m -143.03 -175.8 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.06 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 575' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -92.41 140.51 29.51 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.167 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 576' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -107.88 109.72 21.31 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.045 0.45 . . . . 0.0 111.837 -179.252 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 14.8 m -113.9 130.61 56.48 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 178.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -56.06 -54.63 42.67 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -178.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 579' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -56.07 -38.21 70.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.874 0.369 . . . . 0.0 111.349 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -69.51 -34.93 75.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.063 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 581' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -77.07 -38.32 52.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.616 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 582' ' ' LYS . . . . . . . . . . . . . 38.2 mmtm -67.7 -41.18 84.02 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.148 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 10.3 tp -70.09 -30.04 42.25 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 CA-C-O 120.928 0.394 . . . . 0.0 110.333 179.267 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 584' ' ' ALA . . . . . . . . . . . . . . . -67.29 -40.62 86.11 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.2 179.294 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -60.15 -40.13 88.79 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.311 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 29.4 m -66.13 -36.24 82.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.102 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 15.2 tp -67.31 -46.49 73.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.919 0.39 . . . . 0.0 110.62 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -63.9 -37.43 87.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.734 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 35.5 tp -63.36 -33.74 76.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.58 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 590' ' ' LYS . . . . . . . . . . . . . 58.9 tttm -71.43 -41.72 69.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.323 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 591' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -64.22 -36.44 84.07 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.491 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -74.62 -28.86 61.07 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.883 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 593' ' ' ALA . . . . . 0.449 ' O ' ' HD3' ' A' ' 598' ' ' PRO . . . -58.67 -50.38 74.1 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -179.029 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 594' ' ' LYS . . . . . . . . . . . . . 23.7 pttm -72.05 -11.57 60.82 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -179.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 47.4 tttp -102.14 -48.22 4.29 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -178.11 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 5.2 m -83.93 -19.56 34.48 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 114.434 1.272 . . . . 0.0 114.434 -177.234 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 597' ' ' ASP . . . . . . . . . . . . . 25.8 t70 66.52 93.11 0.06 OUTLIER Pre-proline 0 N--CA 1.47 0.55 0 CA-C-O 121.216 0.532 . . . . 0.0 110.667 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 598' ' ' PRO . . . . . 0.449 ' HD3' ' O ' ' A' ' 593' ' ' ALA . 72.7 Cg_endo -89.47 100.34 0.33 Allowed 'Trans proline' 0 N--CA 1.456 -0.684 0 C-N-CA 122.994 2.462 . . . . 0.0 113.271 -178.713 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 599' ' ' VAL . . . . . 0.46 ' HB ' ' H ' ' A' ' 600' ' ' ILE . 4.3 m -141.26 -159.57 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.426 179.132 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 600' ' ' ILE . . . . . 0.659 HD12 ' HG3' ' A' ' 487' ' ' LYS . 14.6 mt 73.21 -68.79 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 O-C-N 123.531 0.519 . . . . 0.0 112.253 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 601' ' ' LEU . . . . . 0.449 ' HA ' ' HA ' ' A' ' 485' ' ' THR . 51.4 mt 59.8 -120.24 0.97 Allowed 'General case' 0 N--CA 1.465 0.292 0 O-C-N 123.501 0.5 . . . . 0.0 110.898 -179.623 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 602' ' ' GLU . . . . . 0.701 ' HB2' ' CG1' ' A' ' 678' ' ' VAL . 3.4 mp0 -71.33 127.2 91.58 Favored Pre-proline 0 CA--C 1.532 0.277 0 CA-C-O 120.927 0.394 . . . . 0.0 110.035 178.734 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 603' ' ' PRO . . . . . 0.577 ' HA ' ' O ' ' A' ' 676' ' ' ALA . 72.9 Cg_endo -74.97 -170.09 0.73 Allowed 'Trans proline' 0 CA--C 1.532 0.411 0 C-N-CA 122.877 2.385 . . . . 0.0 114.008 -178.57 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 604' ' ' MET . . . . . 0.718 ' HA ' ' HA ' ' A' ' 647' ' ' PRO . 32.1 ttm -75.99 124.94 28.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.939 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 605' ' ' MET . . . . . 0.477 ' SD ' ' HA ' ' A' ' 672' ' ' PHE . 3.2 tpp -112.77 118.31 34.6 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.51 -179.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 606' ' ' LYS . . . . . 0.825 ' HA ' ' HB3' ' A' ' 645' ' ' TYR . 4.9 ptmt -73.15 139.06 46.11 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.506 179.75 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 6.2 m -132.64 118.31 34.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.218 0.533 . . . . 0.0 111.271 -179.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 608' ' ' THR . . . . . . . . . . . . . 3.1 t -84.4 111.18 19.21 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.559 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 609' ' ' ILE . . . . . 0.759 ' HB ' ' HB ' ' A' ' 642' ' ' VAL . 45.0 mm -84.82 132.89 30.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.969 -178.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 610' ' ' GLU . . . . . 0.467 ' HG2' HG12 ' A' ' 641' ' ' VAL . 0.6 OUTLIER -135.99 121.14 18.95 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 178.826 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 611' ' ' MET . . . . . 0.431 ' HE1' HG21 ' A' ' 662' ' ' THR . 10.5 ptp -173.12 152.8 2.34 Favored Pre-proline 0 C--N 1.33 -0.245 0 O-C-N 123.645 0.591 . . . . 0.0 110.367 179.687 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 612' ' ' PRO . . . . . 0.759 ' HA ' ' HA ' ' A' ' 639' ' ' ALA . 68.8 Cg_exo -54.28 141.28 71.4 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 123.06 2.507 . . . . 0.0 112.843 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -84.01 -154.0 0.15 Allowed 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.793 -179.229 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 78.64 -0.56 2.47 Favored 'General case' 0 N--CA 1.462 0.173 0 C-N-CA 124.08 0.952 . . . . 0.0 110.031 -178.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 615' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -132.22 30.52 4.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.144 178.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 616' ' ' MET . . . . . . . . . . . . . 19.5 ptp -47.18 -41.35 17.8 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 -179.096 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . -73.22 -27.46 68.17 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.518 -0.848 . . . . 0.0 112.244 -179.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -86.54 -47.41 9.27 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.841 0.353 . . . . 0.0 110.873 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 619' ' ' ILE . . . . . 0.449 ' O ' HG23 ' A' ' 623' ' ' VAL . 39.5 mm -61.47 -51.96 66.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.905 -179.176 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 620' ' ' MET . . . . . . . . . . . . . 57.1 ttp -59.17 -38.92 80.96 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.617 0.246 . . . . 0.0 111.226 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . -63.56 -37.62 95.04 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.078 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -69.23 -31.84 70.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.951 0.405 . . . . 0.0 110.096 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 623' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 619' ' ' ILE . 62.4 t -71.47 -44.64 70.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.813 179.554 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 624' ' ' THR . . . . . . . . . . . . . 1.1 p -65.74 -27.99 68.71 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-O 120.958 0.408 . . . . 0.0 110.692 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 51.0 m -74.69 1.66 11.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.909 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 626' ' ' ARG . . . . . 0.454 HH22 ' HB2' ' A' ' 657' ' ' SER . 83.9 mtt-85 -119.39 14.8 12.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.853 178.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 627' ' ' ARG . . . . . 0.497 HH12 ' HG2' ' A' ' 647' ' ' PRO . 34.3 mtp-105 67.41 27.91 7.94 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.18 -179.226 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 628' ' ' GLY . . . . . 0.713 ' HA2' HG22 ' A' ' 646' ' ' VAL . . . -83.39 137.09 15.85 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.612 -0.804 . . . . 0.0 113.225 -179.306 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 629' ' ' ARG . . . . . 0.611 ' HB3' ' CE1' ' A' ' 645' ' ' TYR . 0.0 OUTLIER -108.81 113.88 27.19 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 178.435 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 630' ' ' VAL . . . . . . . . . . . . . 61.8 t -83.09 134.38 27.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 112.43 0.529 . . . . 0.0 112.43 -177.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 631' ' ' ASP . . . . . 0.597 ' HB2' ' CE2' ' A' ' 645' ' ' TYR . 4.7 t70 -112.6 -46.3 3.16 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.152 0.501 . . . . 0.0 109.896 178.632 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 632' ' ' GLY . . . . . . . . . . . . . . . -118.39 173.37 14.84 Favored Glycine 0 N--CA 1.449 -0.45 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 179.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 633' ' ' MET . . . . . . . . . . . . . 21.9 ttt -176.8 76.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.87 0.367 . . . . 0.0 110.18 -178.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -116.09 126.68 27.41 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.083 -179.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 635' ' ' PRO . . . . . 0.422 ' HA ' ' HA ' ' A' ' 640' ' ' GLN . 85.2 Cg_endo -82.07 160.54 18.12 Favored 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 122.97 2.447 . . . . 0.0 112.873 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 636' ' ' ARG . . . . . 0.706 ' HB3' HG22 ' B' ' 35' ' ' VAL . 0.4 OUTLIER -146.17 88.66 1.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.644 179.558 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . 76.67 -97.55 1.23 Allowed Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.562 -0.827 . . . . 0.0 111.285 -179.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 638' ' ' ASN . . . . . 0.41 ' OD1' ' HG3' ' B' ' 31' ' ' GLU . 8.3 t-20 -108.04 -31.89 7.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.593 0.196 . . . . 0.0 111.122 179.096 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 639' ' ' ALA . . . . . 0.759 ' HA ' ' HA ' ' A' ' 612' ' ' PRO . . . -92.98 179.3 5.49 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 121.143 -0.223 . . . . 0.0 110.802 -179.608 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 640' ' ' GLN . . . . . 0.422 ' HA ' ' HA ' ' A' ' 635' ' ' PRO . 11.1 tt0 -154.18 131.72 11.36 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -178.698 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 641' ' ' VAL . . . . . 0.467 HG12 ' HG2' ' A' ' 610' ' ' GLU . 1.4 m -90.78 105.53 16.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.4 0.619 . . . . 0.0 110.086 178.592 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 642' ' ' VAL . . . . . 0.759 ' HB ' ' HB ' ' A' ' 609' ' ' ILE . 6.2 t -96.88 91.13 2.55 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.323 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 643' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -67.53 106.74 2.25 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.91 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -127.72 -162.5 1.18 Allowed 'General case' 0 N--CA 1.444 -0.761 0 CA-C-O 121.413 0.625 . . . . 0.0 111.568 -178.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 645' ' ' TYR . . . . . 0.825 ' HB3' ' HA ' ' A' ' 606' ' ' LYS . 2.7 p90 -169.82 136.73 1.59 Allowed 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.71 -1.132 . . . . 0.0 110.575 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 646' ' ' VAL . . . . . 0.713 HG22 ' HA2' ' A' ' 628' ' ' GLY . 46.4 t -132.51 128.72 21.15 Favored Pre-proline 0 C--N 1.32 -0.712 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 179.279 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 647' ' ' PRO . . . . . 0.718 ' HA ' ' HA ' ' A' ' 604' ' ' MET . 45.1 Cg_endo -69.73 77.23 1.07 Allowed 'Trans proline' 0 N--CA 1.464 -0.214 0 C-N-CA 121.991 1.794 . . . . 0.0 111.244 179.377 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 648' ' ' LEU . . . . . 0.44 ' HA ' HG12 ' A' ' 678' ' ' VAL . 44.7 tp -178.33 117.19 0.08 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.155 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.16 164.76 18.95 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 178.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 650' ' ' GLU . . . . . 0.536 ' HG2' ' H ' ' A' ' 651' ' ' MET . 8.9 tt0 76.45 -153.1 0.03 OUTLIER 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.111 0.481 . . . . 0.0 111.558 178.368 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 651' ' ' MET . . . . . 0.536 ' H ' ' HG2' ' A' ' 650' ' ' GLU . 14.4 ptp -149.33 70.74 1.09 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.972 -179.215 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 652' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.71 72.65 1.5 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.229 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 653' ' ' GLY . . . . . . . . . . . . . . . 86.09 -7.08 79.53 Favored Glycine 0 N--CA 1.451 -0.302 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.183 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 654' ' ' TYR . . . . . 0.448 ' CE1' ' HD3' ' A' ' 626' ' ' ARG . 31.7 t80 -60.07 -44.03 95.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.86 0.362 . . . . 0.0 111.25 -179.619 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -69.57 -39.55 77.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.798 -179.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 656' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.76 -49.89 75.96 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.83 0.348 . . . . 0.0 111.731 -179.233 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 657' ' ' SER . . . . . 0.454 ' HB2' HH22 ' A' ' 626' ' ' ARG . 1.7 p -67.78 -43.4 79.85 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.83 0.348 . . . . 0.0 111.139 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 658' ' ' LEU . . . . . . . . . . . . . 19.6 tp -62.08 -42.4 99.16 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 659' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -58.47 -45.64 88.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.435 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 4.3 m -68.55 -44.09 75.24 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.305 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 661' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -62.05 -37.45 85.03 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -179.175 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 662' ' ' THR . . . . . 0.431 HG21 ' HE1' ' A' ' 611' ' ' MET . 51.9 p -99.18 2.9 46.24 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -178.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 66.53 15.89 10.25 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.975 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 664' ' ' GLY . . . . . . . . . . . . . . . 94.5 29.08 9.7 Favored Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 665' ' ' ARG . . . . . 0.656 ' HD2' ' OD1' ' B' ' 29' ' ' ASP . 26.5 mtm180 -131.57 34.87 3.88 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.33 0.586 . . . . 0.0 109.766 -179.393 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . -138.01 131.41 5.42 Favored Glycine 0 N--CA 1.443 -0.882 0 N-CA-C 110.724 -0.95 . . . . 0.0 110.724 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 667' ' ' THR . . . . . . . . . . . . . 10.8 t -137.93 172.01 13.56 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 110.14 -0.318 . . . . 0.0 110.14 -179.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 668' ' ' TYR . . . . . 0.503 ' OH ' ' HB3' ' A' ' 651' ' ' MET . 24.7 p90 -163.7 169.29 18.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.966 0.412 . . . . 0.0 110.692 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 669' ' ' THR . . . . . . . . . . . . . 23.7 m -139.63 126.22 20.49 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 179.276 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 670' ' ' MET . . . . . . . . . . . . . 10.3 ptm -93.28 145.29 24.56 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 123.187 0.304 . . . . 0.0 111.412 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 671' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -155.66 148.26 24.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.89 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 672' ' ' PHE . . . . . 0.477 ' HA ' ' SD ' ' A' ' 605' ' ' MET . 72.8 t80 -63.28 128.51 36.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.802 0.334 . . . . 0.0 110.523 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -113.55 -73.16 0.67 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -179.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 674' ' ' HIS . . . . . . . . . . . . . 47.3 m80 -140.49 167.32 22.43 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -178.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 675' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -76.74 91.69 3.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.395 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 676' ' ' ALA . . . . . 0.577 ' O ' ' HA ' ' A' ' 603' ' ' PRO . . . -131.85 -176.88 4.2 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 677' ' ' GLU . . . . . 0.437 ' CB ' ' HA ' ' A' ' 600' ' ' ILE . 17.1 pt-20 -112.85 146.25 39.22 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.784 0.326 . . . . 0.0 111.686 -179.22 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 678' ' ' VAL . . . . . 0.701 ' CG1' ' HB2' ' A' ' 602' ' ' GLU . 0.0 OUTLIER -72.42 175.7 3.0 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.724 178.935 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 679' ' ' PRO . . . . . 0.613 ' HD2' ' HB ' ' A' ' 678' ' ' VAL . 52.4 Cg_exo -53.48 127.49 25.55 Favored 'Trans proline' 0 C--N 1.357 1.021 0 C-N-CA 122.217 1.944 . . . . 0.0 109.905 178.63 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 680' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -50.78 -39.16 51.94 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -178.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 681' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -44.27 90.93 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.134 -0.485 . . . . 0.0 112.148 -179.276 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 682' ' ' ILE . . . . . 0.502 HD12 ' HG2' ' A' ' 679' ' ' PRO . 66.2 mt -75.78 -38.26 36.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.014 0.435 . . . . 0.0 110.683 -179.712 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 683' ' ' ALA . . . . . 0.484 ' HB2' HG23 ' A' ' 678' ' ' VAL . . . -61.11 -44.38 97.44 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.901 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 684' ' ' GLU . . . . . 0.588 ' HA ' HG22 ' A' ' 687' ' ' ILE . 2.3 pt-20 -74.47 -17.06 60.83 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.253 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -74.42 -50.93 16.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.324 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 686' ' ' ILE . . . . . 0.4 HD11 HD13 ' A' ' 601' ' ' LEU . 11.5 pt -68.24 -36.2 74.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.608 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 687' ' ' ILE . . . . . 0.588 HG22 ' HA ' ' A' ' 684' ' ' GLU . 9.0 tp -67.96 -25.5 32.39 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 CA-C-O 120.973 0.415 . . . . 0.0 110.545 179.454 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 688' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 684' ' ' GLU . 3.2 ttmm -81.53 -40.7 22.77 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 179.021 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -64.55 -37.54 87.89 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.98 179.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -70.23 -17.17 63.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.521 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 691' ' ' LYS . . . . . 0.438 ' HD2' ' HA ' ' A' ' 691' ' ' LYS . 4.6 tptt -106.05 -3.76 21.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.729 0.3 . . . . 0.0 111.789 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 692' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.567 -1.129 . . . . 0.0 112.141 179.98 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 65.6 mtt . . . . . 0 N--CA 1.48 1.069 0 CA-C-O 120.896 0.379 . . . . 0.0 111.352 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -78.87 111.56 15.15 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 179.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 6.0 t -153.95 122.27 6.15 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 11.5 mmt -148.88 136.35 20.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.361 -0.836 . . . . 0.0 108.898 178.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 5.6 mt -126.49 73.91 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.756 0.312 . . . . 0.0 110.893 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -144.93 93.98 5.47 Favored Pre-proline 0 C--N 1.325 -0.464 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_exo -63.37 -34.03 67.83 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.802 2.335 . . . . 0.0 111.275 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' HIS . . . . . 0.669 ' CD2' ' HA ' ' B' ' 201' ' ' ASP . 1.5 t-80 -60.5 -42.78 97.03 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.115 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' GLN . . . . . 0.414 ' O ' HG13 ' B' ' 13' ' ' ILE . 2.2 mp0 -61.33 -43.44 98.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.654 0.264 . . . . 0.0 111.161 -179.588 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' TYR . . . . . 0.566 ' HB2' HG11 ' B' ' 83' ' ' VAL . 30.7 t80 -64.45 -42.0 96.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.193 0.52 . . . . 0.0 110.315 179.342 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -64.79 -41.01 96.15 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.796 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -62.0 -42.09 98.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.77 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.414 HG13 ' O ' ' B' ' 9' ' ' GLN . 94.3 mt -57.22 -45.14 84.68 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.958 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 1.4 ttp-105 -74.99 -21.21 59.28 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.408 -179.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 56.5 m -81.09 -35.39 31.75 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -179.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 27.3 m -68.58 -19.46 24.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.676 -0.41 . . . . 0.0 111.115 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.407 HG13 ' O ' ' B' ' 13' ' ' ILE . 47.6 mt -66.56 -17.45 22.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.533 179.15 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 94.0 mt -69.09 -46.25 68.23 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -179.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.503 ' O ' HG21 ' B' ' 36' ' ' ILE . 39.8 ttt180 -62.59 -22.28 66.26 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.41 ' HA ' HG21 ' B' ' 36' ' ' ILE . 56.1 tp -95.0 -55.69 3.0 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -179.148 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 38.1 tptt -58.2 -38.85 77.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.671 0.272 . . . . 0.0 111.308 -179.006 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -67.55 -35.78 79.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.962 0.41 . . . . 0.0 109.908 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.754 HG21 HG13 ' B' ' 36' ' ' ILE . 2.7 t -66.74 -31.57 54.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.313 179.577 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -66.93 -10.93 54.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.899 178.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 6.9 tmtt? -121.97 -48.26 2.13 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -178.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 3.6 m -79.61 -36.71 37.6 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 113.701 1.001 . . . . 0.0 113.701 -178.019 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.527 HG12 ' H ' ' B' ' 29' ' ' ASP . 76.6 t -79.8 117.9 26.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.298 0.571 . . . . 0.0 112.348 -178.767 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -93.89 38.67 1.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.709 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' ASP . . . . . 0.656 ' OD1' ' HD2' ' A' ' 665' ' ' ARG . 10.2 t70 -140.44 159.1 42.93 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 179.26 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.452 ' HB3' ' HE2' ' B' ' 30' ' ' LYS . 35.0 ttpt -100.55 -28.78 12.71 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -178.635 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.41 ' HG3' ' OD1' ' A' ' 638' ' ' ASN . 12.7 mm-40 -69.67 -44.48 70.41 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 121.087 -0.245 . . . . 0.0 111.225 -178.679 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 32' ' ' THR . . . . . 0.419 ' O ' HG12 ' B' ' 36' ' ' ILE . 46.2 m -63.64 -34.91 78.9 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 178.531 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.491 HG22 HG12 ' B' ' 23' ' ' VAL . 25.3 t -61.76 -46.3 96.83 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.507 178.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 45.0 mtmt -63.1 -37.04 85.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.108 179.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' VAL . . . . . 0.754 HG21 ' HB3' ' A' ' 639' ' ' ALA . 60.4 t -62.31 -47.35 93.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.461 179.48 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.754 HG13 HG21 ' B' ' 23' ' ' VAL . 40.9 mm -66.31 -35.3 74.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.347 179.624 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -59.53 -44.04 93.3 Favored 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 178.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 6.8 m -61.28 -41.83 97.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.397 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.403 ' CD ' HH22 ' A' ' 636' ' ' ARG . 1.3 tp10 -63.15 -53.36 54.5 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.764 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 4.6 m -59.16 -40.55 85.91 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.82 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -63.81 -48.28 77.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.515 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -68.95 -37.01 78.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.751 -179.214 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.08 -55.36 28.27 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.394 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 57.3 mt -68.24 -37.58 78.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.552 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -60.14 -39.96 88.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.927 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -66.06 -22.14 66.41 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 87.8 mt -75.78 -52.73 17.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.931 0.396 . . . . 0.0 110.443 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -84.37 100.29 11.19 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.897 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -59.0 -35.12 82.25 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.169 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 10.9 m170 -124.23 89.8 3.15 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.852 0.358 . . . . 0.0 110.21 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 35.5 pt -73.49 139.67 19.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.072 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -97.63 174.66 6.53 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.741 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.16 -42.96 82.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.458 -179.29 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.66 -41.48 75.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.731 -179.153 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 58.7 mt -59.79 -45.01 95.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 178.045 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -62.41 -41.8 98.95 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.045 179.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -64.61 -39.78 94.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.472 179.384 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 12.1 m -66.89 -37.55 84.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.166 179.259 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.506 ' HA ' HD12 ' B' ' 62' ' ' LEU . 57.4 mt -65.43 -34.74 79.01 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.691 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 2.7 ttpm? -64.19 -35.73 81.77 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.221 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 78.6 t -69.17 -36.52 73.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.197 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.506 HD12 ' HA ' ' B' ' 59' ' ' LEU . 59.8 mt -65.39 -24.77 67.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.672 179.591 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 22.6 mmt -75.18 -15.49 60.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.993 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 28.3 t30 -75.0 133.3 41.7 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.835 0.35 . . . . 0.0 110.182 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 35.5 pt -67.37 -23.44 30.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.603 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' B' ' 66' ' ' ARG . 10.0 mtt180 -96.22 51.74 1.23 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.31 0.576 . . . . 0.0 111.021 179.561 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 43.0 tp -78.41 92.33 4.58 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 115.459 -0.792 . . . . 0.0 110.593 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' SER . . . . . 0.442 ' O ' HG13 ' B' ' 72' ' ' ILE . 10.2 p -73.62 164.09 27.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.609 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -65.66 -30.03 70.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.044 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' LYS . . . . . 0.539 ' HD3' ' HA ' ' B' ' 70' ' ' LYS . 51.3 mmtt -70.64 -36.9 73.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.625 179.713 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.0 -39.42 93.44 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 178.361 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 72' ' ' ILE . . . . . 0.442 HG13 ' O ' ' B' ' 68' ' ' SER . 56.9 mt -66.19 -42.27 90.79 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.83 179.349 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -56.05 -45.8 79.11 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.862 179.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.36 -44.22 96.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.609 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 95.6 mt -65.06 -46.24 91.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.379 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 69.1 mt -61.91 -42.59 99.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.914 0.387 . . . . 0.0 110.558 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 77' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -63.0 -28.57 70.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.289 0.566 . . . . 0.0 110.242 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -78.43 -31.11 47.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.031 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 3.7 m-30 -74.44 -26.8 60.28 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.101 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 80' ' ' LEU . . . . . 0.441 HD12 HG23 ' B' ' 83' ' ' VAL . 37.5 tp -60.55 -20.47 60.45 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.258 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -67.16 -24.73 65.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.009 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 82' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -95.36 5.07 52.64 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -178.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.566 HG11 ' HB2' ' B' ' 10' ' ' TYR . 2.5 m -137.05 -172.85 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.959 0.409 . . . . 0.0 111.991 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 4.0 m -140.46 148.12 52.28 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.847 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 85' ' ' PRO . . . . . 0.513 ' HB3' ' HG2' ' B' ' 115' ' ' LYS . 90.9 Cg_endo -81.69 -178.26 4.09 Favored 'Trans proline' 0 C--O 1.235 0.333 0 C-N-CA 122.631 2.221 . . . . 0.0 112.41 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -86.47 173.23 9.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.858 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -127.98 139.34 52.62 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.622 -179.261 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' B' ' 88' ' ' LEU . 14.6 mt -94.44 115.09 64.87 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.025 178.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 89' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' B' ' 88' ' ' LEU . 27.6 Cg_endo -62.11 142.04 90.76 Favored 'Trans proline' 0 N--CA 1.462 -0.328 0 C-N-CA 122.725 2.283 . . . . 0.0 112.926 -179.253 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 90' ' ' SER . . . . . 0.593 ' HB2' ' OE1' ' B' ' 92' ' ' GLN . 1.6 p -74.98 159.87 81.89 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.898 179.524 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 91' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -48.58 -43.12 34.48 Favored 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 122.976 2.451 . . . . 0.0 112.586 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 92' ' ' GLN . . . . . 0.593 ' OE1' ' HB2' ' B' ' 90' ' ' SER . 1.0 OUTLIER -62.11 -39.36 92.24 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.685 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -73.47 -36.83 65.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.901 0.382 . . . . 0.0 110.623 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 16.9 tp -67.36 -45.68 75.63 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.755 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 48.5 tp60 -68.92 -18.62 64.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.171 0.51 . . . . 0.0 110.315 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 25.4 ttpt -71.48 -29.98 65.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.611 178.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 97' ' ' VAL . . . . . . . . . . . . . 24.5 t -91.97 -53.07 9.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.536 179.276 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 98' ' ' PHE . . . . . 0.558 ' HB3' ' HB ' ' B' ' 101' ' ' VAL . 72.5 m-85 -89.81 64.46 6.44 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.388 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 99' ' ' LYS . . . . . 0.451 ' HE3' ' HB2' ' B' ' 99' ' ' LYS . 34.3 mtmt -69.43 -19.19 63.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.729 -179.078 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -100.52 4.86 43.9 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.041 0.448 . . . . 0.0 111.3 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 101' ' ' VAL . . . . . 0.558 ' HB ' ' HB3' ' B' ' 98' ' ' PHE . 23.7 t -117.76 101.19 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.265 0.555 . . . . 0.0 110.464 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 24.2 mtmt -89.01 149.76 23.1 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.016 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 51.8 mttm 67.57 25.37 8.35 Favored 'General case' 0 N--CA 1.464 0.265 0 O-C-N 123.759 0.662 . . . . 0.0 112.389 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 104' ' ' ILE . . . . . 0.491 ' HB ' HG12 ' B' ' 101' ' ' VAL . 20.7 tt -84.86 141.73 14.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.516 179.607 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 25.2 tptp -150.53 137.53 19.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.897 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 1.1 mp -85.61 131.89 46.2 Favored Pre-proline 0 C--N 1.327 -0.375 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -67.05 149.1 82.51 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.357 2.038 . . . . 0.0 111.122 179.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -74.71 105.52 5.83 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.06 0.457 . . . . 0.0 110.99 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 109' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -83.32 -179.12 7.3 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.966 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -96.62 151.38 19.66 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.428 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 111' ' ' GLU . . . . . 0.452 ' O ' ' HG3' ' B' ' 115' ' ' LYS . 3.6 mt-10 -59.92 -44.54 94.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.711 179.459 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 112' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -60.47 -44.21 96.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.079 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -64.05 -36.0 82.56 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.191 -179.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 95.0 mt -72.56 -5.36 36.61 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 115' ' ' LYS . . . . . 0.513 ' HG2' ' HB3' ' B' ' 85' ' ' PRO . 88.9 mttt -101.21 -5.79 25.1 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.878 0.37 . . . . 0.0 110.637 179.481 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 4.3 m -130.24 13.76 2.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.621 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 45.6 m -119.69 133.54 55.59 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.245 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 118' ' ' SER . . . . . . . . . . . . . 7.1 m -103.9 -9.22 19.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.802 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -152.81 136.68 16.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.657 179.16 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 34.9 t -105.44 116.94 50.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 121' ' ' GLY . . . . . 0.516 ' HA2' ' O ' ' B' ' 131' ' ' TYR . . . -133.84 101.89 0.44 Allowed Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.412 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 122' ' ' TRP . . . . . . . . . . . . . 26.1 p90 -98.6 152.47 19.56 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.934 0.397 . . . . 0.0 110.73 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -106.79 136.37 46.73 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.057 -179.518 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -110.25 114.65 28.3 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 179.59 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 13.2 tp -87.82 32.69 0.73 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.119 0.485 . . . . 0.0 112.209 -178.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -96.41 -47.6 5.92 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 179.114 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.84 4.52 9.43 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.19 -0.914 . . . . 0.0 109.336 178.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 67.82 65.19 0.38 Allowed 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.983 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 76.8 mtm180 -141.63 148.6 39.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.187 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -114.42 130.45 56.71 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.851 178.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 131' ' ' TYR . . . . . 0.516 ' O ' ' HA2' ' B' ' 121' ' ' GLY . 52.0 m-85 -104.82 117.72 34.75 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 55.0 mt -113.95 122.95 69.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.919 0.39 . . . . 0.0 111.283 -179.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 133' ' ' ILE . . . . . . . . . . . . . 21.5 pt -121.94 140.72 45.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.11 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 134' ' ' TYR . . . . . . . . . . . . . 27.5 p90 -156.48 -170.64 3.41 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.593 0.711 . . . . 0.0 110.927 -179.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 135' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -126.39 128.9 47.76 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.272 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -86.4 178.11 7.23 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.294 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 137' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -57.79 -22.67 48.51 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.665 0.987 . . . . 0.0 113.665 -178.331 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -85.44 6.11 28.2 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 122.455 -0.153 . . . . 0.0 111.203 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 139' ' ' LYS . . . . . . . . . . . . . 99.8 mttt 65.48 34.82 7.7 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.277 0.56 . . . . 0.0 110.937 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -111.76 141.76 44.97 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.571 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 23.9 tp -78.04 125.82 29.92 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 142' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp -129.68 130.85 46.05 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 143' ' ' GLY . . . . . . . . . . . . . . . -137.67 147.29 19.14 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.609 -179.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -144.82 164.83 29.86 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 179.755 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 19.7 p90 -137.64 148.71 46.0 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.619 0.247 . . . . 0.0 110.565 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . -150.64 156.15 26.55 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.971 -0.633 . . . . 0.0 111.87 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 12.2 mp0 -68.94 151.63 46.3 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.732 0.301 . . . . 0.0 111.223 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 148' ' ' ILE . . . . . 0.449 ' HA ' ' O ' ' B' ' 168' ' ' LEU . 20.6 tt -131.27 138.71 52.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.736 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 149' ' ' SER . . . . . 0.455 ' OG ' ' HB3' ' B' ' 168' ' ' LEU . 1.2 m -69.56 142.19 53.65 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 120.891 0.377 . . . . 0.0 111.409 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 150' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -80.25 48.44 1.01 Allowed 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 121.686 0.755 . . . . 0.0 110.189 179.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 151' ' ' GLN . . . . . 0.4 ' HA ' ' OE1' ' B' ' 151' ' ' GLN . 6.9 tp60 -156.57 144.12 19.17 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.789 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 2.0 t -119.85 100.68 9.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.721 -0.218 . . . . 0.0 111.061 -179.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 153' ' ' VAL . . . . . 0.539 HG21 ' CA ' ' A' ' 556' ' ' GLY . 3.1 m -107.42 -173.44 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-O 121.144 0.497 . . . . 0.0 111.204 179.406 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 154' ' ' LYS . . . . . . . . . . . . . 7.9 mtmt -112.19 128.88 56.36 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.953 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -160.56 -170.35 25.04 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.288 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 156' ' ' PHE . . . . . 0.571 ' N ' ' HA ' ' A' ' 558' ' ' PRO . 0.6 OUTLIER -110.0 103.94 12.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.135 0.493 . . . . 0.0 110.1 179.766 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 157' ' ' CYS . . . . . 0.759 ' SG ' ' HA ' ' B' ' 188' ' ' ILE . 43.1 t -69.81 141.85 53.25 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.125 -179.505 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 158' ' ' THR . . . . . 0.827 HG23 ' HA3' ' A' ' 519' ' ' GLY . 0.1 OUTLIER -66.28 -27.77 68.19 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.953 179.74 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 159' ' ' ILE . . . . . 0.505 ' O ' ' HB3' ' B' ' 204' ' ' GLN . 57.6 mt -66.14 -82.25 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -178.421 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 160' ' ' CYS . . . . . . . . . . . . . 11.2 p -78.82 -16.63 56.87 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 121.12 -0.232 . . . . 0.0 111.548 -178.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 161' ' ' ASN . . . . . 0.56 ' HA ' ' O ' ' B' ' 157' ' ' CYS . 1.3 t30 50.39 57.69 6.32 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.982 0.896 . . . . 0.0 111.372 -178.638 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 40.8 mmtm -132.31 -170.82 2.5 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.394 -1.276 . . . . 0.0 109.066 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 163' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -115.95 115.1 25.58 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.946 0.403 . . . . 0.0 111.132 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 164' ' ' SER . . . . . . . . . . . . . 55.9 m -164.29 -178.64 5.61 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.694 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 165' ' ' ASN . . . . . . . . . . . . . 21.3 m-20 -68.5 113.24 5.87 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 166' ' ' VAL . . . . . . . . . . . . . 35.2 m -116.11 -178.91 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.812 0.815 . . . . 0.0 113.134 -178.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 60.1 m -157.24 -165.04 1.72 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.424 -1.262 . . . . 0.0 108.145 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 168' ' ' LEU . . . . . 0.874 HD13 ' HB3' ' A' ' 522' ' ' PHE . 17.3 tp -114.77 140.2 49.1 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.105 0.479 . . . . 0.0 112.117 -179.08 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 169' ' ' PHE . . . . . 1.015 ' HB2' HG12 ' B' ' 188' ' ' ILE . 50.3 t80 -118.09 96.97 5.57 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 176.616 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 170' ' ' MET . . . . . 0.467 ' HG3' ' OE2' ' A' ' 523' ' ' GLU . 50.5 ttm -91.67 124.12 35.58 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.337 -178.564 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 171' ' ' LYS . . . . . 0.522 ' HD3' ' HB3' ' B' ' 212' ' ' LEU . 18.2 tttm -131.26 139.55 49.66 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.177 0.513 . . . . 0.0 110.087 179.386 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 172' ' ' LYS . . . . . 0.484 ' HE2' ' HE3' ' B' ' 183' ' ' LYS . 85.2 mttt -103.11 153.82 19.92 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 179.149 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 173' ' ' SER . . . . . . . . . . . . . 45.2 p -77.29 175.94 9.25 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.82 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 174' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -70.14 115.8 9.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.643 0.259 . . . . 0.0 110.462 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 175' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.92 126.36 25.42 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.018 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 176' ' ' ASN . . . . . . . . . . . . . 39.2 p30 -77.46 -175.42 3.77 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.229 -0.441 . . . . 0.0 112.081 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 177' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.75 -31.5 70.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.934 -0.575 . . . . 0.0 112.38 -179.359 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 178' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -79.68 -17.8 52.82 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.944 0.402 . . . . 0.0 111.133 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 179' ' ' GLY . . . . . . . . . . . . . . . 93.96 18.26 37.88 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.726 -0.75 . . . . 0.0 111.836 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -99.12 156.26 17.04 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 179.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 181' ' ' TYR . . . . . 0.466 ' CE1' ' HD3' ' B' ' 172' ' ' LYS . 53.9 p90 -157.29 176.05 13.2 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.725 0.298 . . . . 0.0 110.739 -179.008 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 182' ' ' VAL . . . . . . . . . . . . . 46.6 t -123.82 136.84 58.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 178.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 183' ' ' LYS . . . . . 1.02 ' HB2' ' HG2' ' A' ' 525' ' ' GLU . 15.4 mtpt -98.24 143.7 28.46 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 184' ' ' LYS . . . . . 0.442 ' HE2' ' O ' ' B' ' 211' ' ' LYS . 1.5 ptmt -154.09 104.54 2.64 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.248 0.547 . . . . 0.0 111.699 179.703 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 185' ' ' GLY . . . . . . . . . . . . . . . -109.2 144.64 16.54 Favored Glycine 0 N--CA 1.439 -1.146 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.026 178.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 186' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -134.31 163.0 30.63 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 187' ' ' TYR . . . . . 0.781 ' HE1' ' HB2' ' A' ' 522' ' ' PHE . 3.2 m-85 -77.29 128.68 34.74 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.14 0.495 . . . . 0.0 110.857 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 188' ' ' ILE . . . . . 1.015 HG12 ' HB2' ' B' ' 169' ' ' PHE . 1.6 pp -133.13 146.91 31.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.442 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 189' ' ' CYS . . . . . 0.454 ' HB2' ' HB2' ' B' ' 195' ' ' CYS . 35.0 m -70.93 129.13 38.23 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 178.283 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 190' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' B' ' 190' ' ' ARG . 17.3 ttm-85 -52.8 -59.45 4.48 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.957 0.408 . . . . 0.0 111.133 -179.256 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 191' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -82.86 101.64 11.11 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.984 179.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 192' ' ' SER . . . . . . . . . . . . . 70.8 m -63.84 -20.06 65.52 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -179.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 193' ' ' ILE . . . . . . . . . . . . . 30.3 mt -70.99 -49.85 46.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 194' ' ' HIS . . . . . . . . . . . . . 62.2 t60 -63.46 -30.48 71.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.279 178.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 195' ' ' CYS . . . . . 0.748 ' HG ' 'ZN ' ' B' ' 301' ' ' ' ZN' . 51.2 t -75.29 -33.58 61.23 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.156 179.569 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 196' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -64.96 -39.26 93.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.928 0.394 . . . . 0.0 110.581 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 197' ' ' LYS . . . . . . . . . . . . . 42.4 mttt -73.65 -7.83 53.54 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.914 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 198' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -105.88 6.21 31.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.267 179.154 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 199' ' ' LEU . . . . . . . . . . . . . 17.5 tp -75.73 88.33 2.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.193 -179.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 200' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.57 -38.18 83.72 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.451 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 201' ' ' ASP . . . . . 0.669 ' HA ' ' CD2' ' B' ' 8' ' ' HIS . 57.9 t0 -146.09 138.33 25.27 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.292 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 202' ' ' ILE . . . . . 0.402 ' HB ' ' HB2' ' B' ' 8' ' ' HIS . 18.3 tt -71.41 -23.87 23.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.219 0.533 . . . . 0.0 109.976 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 203' ' ' ASN . . . . . . . . . . . . . 59.5 m-80 -66.68 -26.16 66.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.936 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 204' ' ' GLN . . . . . 0.505 ' HB3' ' O ' ' B' ' 159' ' ' ILE . 22.1 mt-30 -67.58 -36.68 81.36 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 178.331 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 205' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -75.08 -40.57 60.0 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.291 178.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 206' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -63.09 -35.05 78.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.806 179.449 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 207' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -67.79 -34.93 77.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.571 0.701 . . . . 0.0 109.959 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 208' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -64.19 -41.89 96.9 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.66 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 209' ' ' ILE . . . . . . . . . . . . . 45.0 mm -65.42 -35.38 75.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.742 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 210' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -67.81 -16.91 64.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.635 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 211' ' ' LYS . . . . . 0.442 ' O ' ' HE2' ' B' ' 184' ' ' LYS . 66.4 tttt -99.63 -12.22 20.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.579 -178.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 212' ' ' LEU . . . . . 0.522 ' HB3' ' HD3' ' B' ' 171' ' ' LYS . 35.1 mt -79.32 -18.76 51.93 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 -178.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 213' ' ' ASP . . . . . . . . . . . . . 2.1 t70 . . . . . 0 C--O 1.247 0.932 0 CA-C-O 118.648 -0.691 . . . . 0.0 110.688 -179.709 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 301' ' ' ' ZN' . . . . . 0.748 'ZN ' ' HG ' ' B' ' 195' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 401' ' ' MET . . . . . . . . . . . . . 16.3 ttt . . . . . 0 N--CA 1.48 1.03 0 CA-C-O 120.696 0.284 . . . . 0.0 110.358 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -83.5 168.18 16.71 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.6 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 403' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -116.66 94.7 44.34 Favored Pre-proline 0 C--N 1.323 -0.57 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 404' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.45 80.58 2.5 Favored 'Trans proline' 0 CA--C 1.529 0.249 0 C-N-CA 122.809 2.339 . . . . 0.0 113.019 -179.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 405' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -121.38 101.97 43.22 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.618 179.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 406' ' ' PRO . . . . . 0.55 ' O ' ' HA ' ' A' ' 453' ' ' MET . 3.9 Cg_exo -76.95 -112.24 0.01 OUTLIER 'Trans proline' 0 CA--C 1.532 0.419 0 C-N-CA 123.264 2.642 . . . . 0.0 112.771 -179.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 407' ' ' VAL . . . . . 0.522 ' H ' ' HB2' ' A' ' 406' ' ' PRO . 11.9 m -95.83 133.16 37.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.232 0.539 . . . . 0.0 112.334 -178.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 408' ' ' ILE . . . . . 0.427 ' O ' ' HA2' ' A' ' 451' ' ' GLY . 7.3 tt -128.7 132.62 67.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.979 179.3 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -105.05 134.81 47.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.863 0.364 . . . . 0.0 111.344 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 410' ' ' LEU . . . . . . . . . . . . . 52.6 tp -132.97 141.16 48.17 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.655 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . 0.506 ' HB2' ' OE1' ' A' ' 413' ' ' GLU . 0.1 OUTLIER -96.28 134.1 39.81 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 179.42 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 412' ' ' VAL . . . . . . . . . . . . . 2.1 t -128.39 79.26 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.34 0.591 . . . . 0.0 110.41 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 413' ' ' GLU . . . . . 0.631 ' HG3' ' HB3' ' A' ' 447' ' ' GLN . 7.6 mp0 -78.06 132.11 67.98 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.701 -179.036 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 414' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -76.16 172.67 15.83 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.996 2.464 . . . . 0.0 113.486 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 415' ' ' LYS . . . . . 0.468 ' HD2' ' HB3' ' A' ' 472' ' ' GLU . 24.8 tttt -85.31 -61.02 1.86 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.574 -179.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 94.1 p -120.87 -174.98 2.94 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.043 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 23.4 pttm -71.19 -26.06 62.79 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.249 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 418' ' ' ALA . . . . . . . . . . . . . . . -68.08 -37.72 81.57 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 178.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 419' ' ' ASP . . . . . 0.523 ' HB3' HG23 ' A' ' 471' ' ' VAL . 26.1 m-20 -69.74 -32.0 70.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.61 179.103 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 420' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -61.77 -43.43 98.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.94 178.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 421' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -64.6 -42.17 95.73 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 58.0 mttm -61.3 -43.77 98.33 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.342 179.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 423' ' ' MET . . . . . 0.562 ' O ' ' HG ' ' A' ' 427' ' ' LEU . 62.4 tpp -62.77 -47.54 83.07 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.175 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 424' ' ' THR . . . . . . . . . . . . . 8.4 m -59.08 -39.6 82.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.001 0.429 . . . . 0.0 110.443 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 425' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -71.09 -35.28 71.79 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.216 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 426' ' ' ALA . . . . . 0.438 ' HA ' ' CZ ' ' A' ' 469' ' ' PHE . . . -66.44 -42.88 86.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.868 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 427' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' A' ' 423' ' ' MET . 90.3 mt -55.93 -35.07 66.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.12 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 428' ' ' VAL . . . . . 0.474 ' O ' ' HG3' ' A' ' 432' ' ' GLU . 90.0 t -66.47 -60.17 2.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.064 179.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -61.3 -37.29 82.69 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -178.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -69.08 -42.8 75.71 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 431' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.39 -29.07 69.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.679 0.276 . . . . 0.0 111.426 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 432' ' ' GLU . . . . . 0.474 ' HG3' ' O ' ' A' ' 428' ' ' VAL . 14.1 mt-10 -81.8 -25.4 35.25 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.316 -0.402 . . . . 0.0 109.936 179.039 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 433' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.56 -47.68 31.22 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.402 179.55 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 434' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -137.67 103.65 8.44 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.951 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 435' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -83.36 24.86 0.72 Allowed 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 123.082 2.522 . . . . 0.0 112.748 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.96 11.04 38.79 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.82 0.343 . . . . 0.0 111.88 -179.013 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 437' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -138.31 170.0 16.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.673 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 438' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -130.76 144.61 51.57 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.653 -0.249 . . . . 0.0 110.738 -179.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 439' ' ' ALA . . . . . . . . . . . . . . . -136.81 128.23 28.37 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.985 179.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -132.2 149.49 52.37 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.669 0.271 . . . . 0.0 111.456 -179.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 1.4 m -114.57 67.84 0.69 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.19 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -156.36 -89.95 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.164 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 443' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 56.65 -162.03 0.19 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.194 0.521 . . . . 0.0 112.078 179.361 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 444' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -116.02 -36.73 4.03 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.216 179.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.34 61.05 1.68 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.796 -179.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 446' ' ' GLY . . . . . . . . . . . . . . . -175.71 172.27 45.29 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.841 -0.695 . . . . 0.0 111.874 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 447' ' ' GLN . . . . . 0.631 ' HB3' ' HG3' ' A' ' 413' ' ' GLU . 5.0 tp-100 -107.72 -53.35 2.64 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 179.482 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 448' ' ' VAL . . . . . 0.459 HG23 ' HG3' ' A' ' 447' ' ' GLN . 8.6 t -125.5 105.01 14.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.165 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 449' ' ' ILE . . . . . . . . . . . . . 1.2 tt -99.79 123.02 52.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 120.953 0.406 . . . . 0.0 111.217 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 450' ' ' ILE . . . . . . . . . . . . . 2.9 mp -116.68 132.97 64.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.606 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 451' ' ' GLY . . . . . 0.427 ' HA2' ' O ' ' A' ' 408' ' ' ILE . . . -130.12 134.46 7.86 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 121.02 -0.609 . . . . 0.0 111.579 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 452' ' ' GLY . . . . . . . . . . . . . . . -151.76 175.87 30.36 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.941 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 453' ' ' MET . . . . . 0.55 ' HA ' ' O ' ' A' ' 406' ' ' PRO . 1.2 ppp? -92.52 121.43 33.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.726 0.298 . . . . 0.0 110.936 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 454' ' ' GLY . . . . . . . . . . . . . . . 87.61 140.5 6.67 Favored Glycine 0 CA--C 1.518 0.271 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.946 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 455' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.67 -28.81 61.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.921 0.391 . . . . 0.0 111.162 -179.535 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 456' ' ' LEU . . . . . . . . . . . . . 38.1 tp -67.28 -35.73 80.08 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.557 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 457' ' ' HIS . . . . . 0.494 ' O ' ' HG ' ' A' ' 461' ' ' LEU . 2.0 t-160 -63.75 -36.76 84.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.453 178.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.69 -39.06 84.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.56 179.49 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 459' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -61.99 -41.97 98.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.771 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 460' ' ' ILE . . . . . . . . . . . . . 45.0 mm -61.82 -38.56 80.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.18 179.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 461' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 457' ' ' HIS . 79.2 mt -67.62 -50.58 57.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.967 -0.56 . . . . 0.0 112.123 -179.402 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 32.5 m -64.59 -27.83 43.45 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-O 121.069 0.461 . . . . 0.0 110.822 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 463' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -63.82 -46.03 86.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.79 178.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 464' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 -60.77 -37.36 81.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.044 179.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 465' ' ' MET . . . . . 0.4 ' O ' HG12 ' A' ' 471' ' ' VAL . 63.8 mtt -58.83 -55.93 28.75 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.013 -0.54 . . . . 0.0 112.1 -179.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 44.4 mttt -79.9 -32.44 40.25 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -178.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 467' ' ' LYS . . . . . 0.831 ' HA ' ' HE2' ' A' ' 467' ' ' LYS . 10.3 mmpt? -83.46 -39.57 20.38 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 -178.082 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 468' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -98.04 -36.89 9.96 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 -178.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 469' ' ' PHE . . . . . 0.438 ' CZ ' ' HA ' ' A' ' 426' ' ' ALA . 78.8 m-85 -102.35 -2.46 28.9 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -178.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 470' ' ' ASN . . . . . . . . . . . . . 10.6 p30 44.47 36.05 1.54 Allowed 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 471' ' ' VAL . . . . . 0.523 HG23 ' HB3' ' A' ' 419' ' ' ASP . 3.9 p -88.9 129.78 39.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.465 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 472' ' ' GLU . . . . . 0.468 ' HB3' ' HD2' ' A' ' 415' ' ' LYS . 0.1 OUTLIER -85.98 118.24 25.33 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 179.504 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 473' ' ' CYS . . . . . . . . . . . . . 1.3 p -148.1 164.93 32.37 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.714 -179.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 474' ' ' ASN . . . . . 0.496 HD22 ' HB2' ' A' ' 477' ' ' ALA . 9.6 t30 -122.96 118.07 26.97 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.891 179.31 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 475' ' ' VAL . . . . . . . . . . . . . 8.8 m -73.16 121.94 24.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.945 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . 91.2 58.06 1.51 Allowed Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 115.94 -0.573 . . . . 0.0 112.601 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 477' ' ' ALA . . . . . 0.496 ' HB2' HD22 ' A' ' 474' ' ' ASN . . . -134.0 155.69 79.92 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 120.537 0.208 . . . . 0.0 111.027 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 478' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 477' ' ' ALA . 65.9 Cg_endo -100.55 148.1 0.39 Allowed 'Trans proline' 0 CA--C 1.535 0.575 0 C-N-CA 123.424 2.75 . . . . 0.0 111.669 178.192 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 479' ' ' MET . . . . . 0.429 ' HG2' ' H ' ' A' ' 480' ' ' VAL . 11.3 ttt -167.16 167.29 14.45 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.852 -0.158 . . . . 0.0 110.675 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 480' ' ' VAL . . . . . 0.429 ' H ' ' HG2' ' A' ' 479' ' ' MET . 1.6 m -146.46 165.32 8.34 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 C-N-CA 122.585 0.354 . . . . 0.0 110.336 179.409 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 481' ' ' SER . . . . . 0.534 ' HA ' ' OE2' ' A' ' 650' ' ' GLU . 51.7 m -152.74 140.94 20.45 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 122.41 0.284 . . . . 0.0 110.528 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 482' ' ' TYR . . . . . 0.619 ' O ' ' HB2' ' A' ' 483' ' ' ARG . 37.0 m-85 -141.69 -164.36 1.76 Allowed 'General case' 0 N--CA 1.471 0.624 0 O-C-N 123.107 0.254 . . . . 0.0 111.004 -179.279 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 483' ' ' ARG . . . . . 0.619 ' HB2' ' O ' ' A' ' 482' ' ' TYR . 1.4 tpp180 159.1 111.86 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.524 1.129 . . . . 0.0 110.207 179.3 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 484' ' ' GLU . . . . . 0.571 ' HB2' ' HG3' ' A' ' 602' ' ' GLU . 2.6 mp0 -110.83 156.51 21.02 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -178.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 485' ' ' THR . . . . . 0.592 ' O ' ' HB2' ' A' ' 486' ' ' PHE . 88.0 m -164.89 122.74 1.64 Allowed 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -179.024 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 486' ' ' PHE . . . . . 0.604 ' CE2' ' HA ' ' A' ' 515' ' ' PRO . 0.4 OUTLIER 164.27 151.71 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 124.224 1.01 . . . . 0.0 111.108 176.872 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 487' ' ' LYS . . . . . 0.659 ' HG3' HD12 ' A' ' 600' ' ' ILE . 13.0 tmtt? 175.37 149.37 0.1 Allowed 'General case' 0 N--CA 1.468 0.435 0 O-C-N 123.438 0.461 . . . . 0.0 110.84 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 488' ' ' SER . . . . . 0.434 ' OG ' ' HD3' ' A' ' 487' ' ' LYS . 49.8 m 70.64 176.09 0.28 Allowed 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 177.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 489' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -149.74 150.44 32.07 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 114.665 -1.152 . . . . 0.0 108.18 179.081 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 490' ' ' ALA . . . . . . . . . . . . . . . 178.74 177.65 0.46 Allowed 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.817 0.342 . . . . 0.0 111.15 -178.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 491' ' ' GLN . . . . . . . . . . . . . 14.8 tm0? -108.66 119.72 40.36 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 178.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 12.0 t -103.85 140.49 21.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 121.018 0.437 . . . . 0.0 111.718 -178.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 493' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -100.36 139.39 36.11 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 178.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 494' ' ' GLY . . . . . . . . . . . . . . . -133.12 110.46 0.91 Allowed Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.305 -0.95 . . . . 0.0 111.544 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -132.44 133.55 44.01 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 496' ' ' PHE . . . . . 0.475 ' O ' ' HA ' ' A' ' 506' ' ' TYR . 41.8 t80 -141.8 121.46 13.4 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 179.309 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 8.3 t -138.69 122.3 17.42 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -156.78 165.83 35.11 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.887 0.375 . . . . 0.0 111.065 179.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 499' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -153.34 76.07 1.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 178.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 5.3 m -119.09 43.77 2.5 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.162 -178.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . -177.12 39.04 0.09 OUTLIER Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.119 -1.039 . . . . 0.0 112.692 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 502' ' ' GLY . . . . . . . . . . . . . . . 81.5 -48.53 3.85 Favored Glycine 0 N--CA 1.453 -0.206 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.218 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 503' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 -96.99 158.12 15.58 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.992 0.425 . . . . 0.0 110.716 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 504' ' ' GLY . . . . . . . . . . . . . . . -104.41 156.71 17.16 Favored Glycine 0 N--CA 1.442 -0.908 0 N-CA-C 111.064 -0.815 . . . . 0.0 111.064 179.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 505' ' ' GLN . . . . . 0.409 HE21 ' HB3' ' A' ' 505' ' ' GLN . 0.0 OUTLIER -141.83 137.9 31.8 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 -179.813 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 506' ' ' TYR . . . . . 0.475 ' HA ' ' O ' ' A' ' 496' ' ' PHE . 66.9 t80 -143.54 137.9 28.77 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.013 0.435 . . . . 0.0 111.759 -179.461 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 507' ' ' GLY . . . . . . . . . . . . . . . -142.3 124.47 2.43 Favored Glycine 0 N--CA 1.443 -0.857 0 N-CA-C 110.673 -0.971 . . . . 0.0 110.673 178.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 508' ' ' ASP . . . . . 0.422 ' HB3' ' HB2' ' A' ' 570' ' ' SER . 4.4 t70 -131.72 122.52 26.02 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 509' ' ' VAL . . . . . . . . . . . . . 2.9 m -143.89 154.93 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.265 0.555 . . . . 0.0 111.713 -178.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 510' ' ' HIS . . . . . 0.654 ' HB2' ' HB3' ' A' ' 568' ' ' ASP . 28.0 m170 -134.84 109.43 8.52 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 178.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 511' ' ' ILE . . . . . . . . . . . . . 1.7 mt -125.03 147.49 29.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -177.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -113.21 137.0 52.12 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 177.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 14.4 p90 -125.2 147.25 49.14 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.524 -0.471 . . . . 0.0 111.994 -179.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 514' ' ' THR . . . . . . . . . . . . . 2.7 p -140.41 150.12 59.89 Favored Pre-proline 0 CA--C 1.534 0.332 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.467 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 515' ' ' PRO . . . . . 0.604 ' HA ' ' CE2' ' A' ' 486' ' ' PHE . 72.8 Cg_endo -76.83 156.41 34.94 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.809 2.339 . . . . 0.0 112.72 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 516' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -161.57 46.06 0.18 Allowed 'General case' 0 CA--C 1.533 0.296 0 CA-C-O 121.222 0.534 . . . . 0.0 109.842 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -78.89 1.81 22.26 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 -178.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 518' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.31 97.72 3.08 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.931 0.396 . . . . 0.0 110.697 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . 0.827 ' HA3' HG23 ' B' ' 158' ' ' THR . . . 73.19 5.08 65.22 Favored Glycine 0 CA--C 1.528 0.857 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.059 -178.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 520' ' ' ALA . . . . . 0.57 ' HB3' ' HB2' ' B' ' 187' ' ' TYR . . . 102.55 163.37 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 125.659 1.584 . . . . 0.0 112.66 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . -129.93 -116.21 1.84 Allowed Glycine 0 C--N 1.341 0.84 0 C-N-CA 120.791 -0.719 . . . . 0.0 114.173 -178.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 522' ' ' PHE . . . . . 0.874 ' HB3' HD13 ' B' ' 168' ' ' LEU . 1.0 OUTLIER 87.86 87.58 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.917 0.887 . . . . 0.0 112.011 -179.681 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 523' ' ' GLU . . . . . 0.605 ' O ' ' HA ' ' A' ' 563' ' ' LYS . 10.0 tp10 -164.03 137.22 5.26 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 113.021 0.748 . . . . 0.0 113.021 179.329 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -131.48 100.14 5.05 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.176 -0.92 . . . . 0.0 108.588 178.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 525' ' ' GLU . . . . . 1.02 ' HG2' ' HB2' ' B' ' 183' ' ' LYS . 31.8 mt-10 -80.87 153.44 27.62 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 -177.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 12.7 p30 -122.08 140.68 52.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.307 -0.861 . . . . 0.0 109.732 178.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 527' ' ' ALA . . . . . . . . . . . . . . . -101.68 7.2 42.09 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -179.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 528' ' ' ILE . . . . . 0.405 HG23 HG21 ' A' ' 538' ' ' ILE . 7.0 mt 56.4 38.02 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 CA-C-O 121.333 0.587 . . . . 0.0 111.77 179.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 529' ' ' VAL . . . . . . . . . . . . . 11.4 p -158.36 162.61 1.39 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.027 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 530' ' ' GLY . . . . . . . . . . . . . . . 102.03 -88.64 0.7 Allowed Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.222 179.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 531' ' ' GLY . . . . . . . . . . . . . . . -107.09 14.9 40.23 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.655 -0.783 . . . . 0.0 111.51 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 532' ' ' VAL . . . . . 0.4 HG21 HG22 ' A' ' 538' ' ' ILE . 11.3 m -136.27 146.66 28.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.755 0.312 . . . . 0.0 111.196 -179.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 533' ' ' VAL . . . . . 0.884 ' HB ' ' HD3' ' A' ' 534' ' ' PRO . 43.2 t -127.43 -60.05 0.03 OUTLIER Pre-proline 0 CA--C 1.535 0.367 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.379 179.352 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 534' ' ' PRO . . . . . 0.884 ' HD3' ' HB ' ' A' ' 533' ' ' VAL . 24.5 Cg_exo -66.07 153.03 79.73 Favored 'Trans proline' 0 C--N 1.357 1.015 0 C-N-CA 122.214 1.943 . . . . 0.0 111.558 179.368 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 535' ' ' ARG . . . . . 0.593 ' O ' HG12 ' A' ' 538' ' ' ILE . 8.0 ttt-85 -62.33 -47.52 83.88 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -179.145 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -78.37 9.96 3.47 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.864 0.69 . . . . 0.0 112.864 -178.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 537' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -102.36 -2.41 28.95 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.128 0.49 . . . . 0.0 111.157 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . 0.603 HG13 ' HD3' ' A' ' 539' ' ' PRO . 30.2 pt -75.59 -41.86 3.74 Favored Pre-proline 0 CA--C 1.542 0.672 0 N-CA-C 115.249 1.574 . . . . 0.0 115.249 -179.248 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 539' ' ' PRO . . . . . 0.603 ' HD3' HG13 ' A' ' 538' ' ' ILE . 55.9 Cg_endo -67.67 -19.73 47.47 Favored 'Trans proline' 0 C--N 1.362 1.285 0 C-N-CA 121.468 1.446 . . . . 0.0 112.551 -179.523 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 540' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.59 -64.95 0.74 Allowed 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.726 -179.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 541' ' ' VAL . . . . . . . . . . . . . 44.3 t -59.62 -39.07 78.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 542' ' ' GLU . . . . . 0.586 ' HG2' ' HA ' ' A' ' 539' ' ' PRO . 13.4 pt-20 -61.01 -45.03 96.45 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 120.771 -0.371 . . . . 0.0 111.64 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 543' ' ' ALA . . . . . . . . . . . . . . . -68.36 -36.46 79.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.532 178.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . -64.14 -36.9 93.82 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 121.021 -0.609 . . . . 0.0 112.305 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.57 -33.61 76.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.865 0.365 . . . . 0.0 111.124 179.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . 0.763 ' O ' ' HG2' ' A' ' 550' ' ' GLU . 15.0 tptp -76.9 -28.42 55.34 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.889 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 547' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -59.69 -45.9 90.7 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.329 0.585 . . . . 0.0 110.372 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 548' ' ' ALA . . . . . . . . . . . . . . . -69.24 -44.74 71.36 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.458 178.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 549' ' ' MET . . . . . . . . . . . . . 52.1 tpp -49.14 -51.4 32.49 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.419 179.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 550' ' ' GLU . . . . . 0.763 ' HG2' ' O ' ' A' ' 546' ' ' LYS . 0.6 OUTLIER -65.89 -9.63 31.04 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -179.056 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 551' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -92.62 -10.29 37.95 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.83 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 552' ' ' GLY . . . . . . . . . . . . . . . -121.06 -27.66 1.82 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.35 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 553' ' ' VAL . . . . . 0.51 HG22 ' H ' ' A' ' 554' ' ' LEU . 1.9 p -119.47 173.8 5.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.692 0.282 . . . . 0.0 110.563 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . 0.601 HD23 ' H ' ' A' ' 554' ' ' LEU . 1.1 pt? -101.7 137.09 40.47 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.405 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -134.36 147.64 50.57 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.032 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 556' ' ' GLY . . . . . 0.539 ' CA ' HG21 ' B' ' 153' ' ' VAL . . . 92.16 59.06 1.33 Allowed Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.851 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 557' ' ' TYR . . . . . 0.515 ' HB3' ' HD2' ' A' ' 558' ' ' PRO . 29.8 m-85 -140.95 166.39 22.98 Favored Pre-proline 0 C--N 1.329 -0.318 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 558' ' ' PRO . . . . . 0.571 ' HA ' ' N ' ' B' ' 156' ' ' PHE . 26.1 Cg_exo -35.01 -80.73 0.02 OUTLIER 'Trans proline' 0 C--N 1.354 0.852 0 C-N-CA 124.243 3.295 . . . . 0.0 115.408 -178.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 559' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -115.23 72.69 0.8 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.507 0.194 . . . . 0.0 111.057 -179.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 560' ' ' ILE . . . . . 0.557 ' CG2' ' HA ' ' A' ' 484' ' ' GLU . 8.7 pt -138.92 -165.03 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 112.55 0.574 . . . . 0.0 112.55 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 561' ' ' ASP . . . . . 0.512 ' HB3' ' N ' ' A' ' 522' ' ' PHE . 0.2 OUTLIER 83.63 124.33 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 114.276 -1.329 . . . . 0.0 113.009 179.716 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 562' ' ' VAL . . . . . 0.526 ' HA ' ' CE2' ' A' ' 486' ' ' PHE . 5.8 m -81.84 158.45 4.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 114.788 -1.096 . . . . 0.0 113.496 -176.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 563' ' ' LYS . . . . . 0.605 ' HA ' ' O ' ' A' ' 523' ' ' GLU . 32.0 tttm -122.31 101.07 7.29 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 177.192 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -109.94 166.65 10.77 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.952 -177.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 565' ' ' LYS . . . . . . . . . . . . . 49.6 mttm -136.91 113.67 10.33 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.058 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 566' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -81.98 107.49 14.73 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 178.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 567' ' ' TYR . . . . . . . . . . . . . 21.4 p90 -112.56 -15.44 13.04 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 -177.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 568' ' ' ASP . . . . . 0.654 ' HB3' ' HB2' ' A' ' 510' ' ' HIS . 24.8 t0 -157.41 160.6 38.55 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.549 -0.46 . . . . 0.0 112.074 -179.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 569' ' ' GLY . . . . . . . . . . . . . . . 178.33 161.3 26.07 Favored Glycine 0 N--CA 1.446 -0.65 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.385 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 570' ' ' SER . . . . . 0.422 ' HB2' ' HB3' ' A' ' 508' ' ' ASP . 5.0 m -142.47 123.58 14.56 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.705 -0.479 . . . . 0.0 109.705 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 571' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -128.27 -40.63 1.62 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 572' ' ' HIS . . . . . . . . . . . . . 42.9 t60 64.28 -93.2 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.692 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 573' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -166.79 102.42 0.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.701 0.286 . . . . 0.0 110.334 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 1.4 m -143.03 -175.8 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.06 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 575' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -92.41 140.51 29.51 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.167 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 576' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -107.88 109.72 21.31 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.045 0.45 . . . . 0.0 111.837 -179.252 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 577' ' ' SER . . . . . . . . . . . . . 14.8 m -113.9 130.61 56.48 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 178.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 578' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -56.06 -54.63 42.67 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -178.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 579' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -56.07 -38.21 70.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.874 0.369 . . . . 0.0 111.349 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 580' ' ' ALA . . . . . . . . . . . . . . . -69.51 -34.93 75.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.063 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 581' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -77.07 -38.32 52.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.616 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 582' ' ' LYS . . . . . . . . . . . . . 38.2 mmtm -67.7 -41.18 84.02 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.148 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 583' ' ' ILE . . . . . . . . . . . . . 10.3 tp -70.09 -30.04 42.25 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 CA-C-O 120.928 0.394 . . . . 0.0 110.333 179.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 584' ' ' ALA . . . . . . . . . . . . . . . -67.29 -40.62 86.11 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.2 179.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 585' ' ' ALA . . . . . . . . . . . . . . . -60.15 -40.13 88.79 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.311 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 586' ' ' SER . . . . . . . . . . . . . 29.4 m -66.13 -36.24 82.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.102 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 587' ' ' LEU . . . . . . . . . . . . . 15.2 tp -67.31 -46.49 73.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.919 0.39 . . . . 0.0 110.62 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -63.9 -37.43 87.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.734 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 35.5 tp -63.36 -33.74 76.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.58 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 590' ' ' LYS . . . . . . . . . . . . . 58.9 tttm -71.43 -41.72 69.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.323 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 591' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -64.22 -36.44 84.07 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.491 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -74.62 -28.86 61.07 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.883 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 593' ' ' ALA . . . . . 0.449 ' O ' ' HD3' ' A' ' 598' ' ' PRO . . . -58.67 -50.38 74.1 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -179.029 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 594' ' ' LYS . . . . . . . . . . . . . 23.7 pttm -72.05 -11.57 60.82 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -179.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 47.4 tttp -102.14 -48.22 4.29 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -178.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 596' ' ' CYS . . . . . . . . . . . . . 5.2 m -83.93 -19.56 34.48 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 114.434 1.272 . . . . 0.0 114.434 -177.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 597' ' ' ASP . . . . . . . . . . . . . 25.8 t70 66.52 93.11 0.06 OUTLIER Pre-proline 0 N--CA 1.47 0.55 0 CA-C-O 121.216 0.532 . . . . 0.0 110.667 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 598' ' ' PRO . . . . . 0.449 ' HD3' ' O ' ' A' ' 593' ' ' ALA . 72.7 Cg_endo -89.47 100.34 0.33 Allowed 'Trans proline' 0 N--CA 1.456 -0.684 0 C-N-CA 122.994 2.462 . . . . 0.0 113.271 -178.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 599' ' ' VAL . . . . . 0.46 ' HB ' ' H ' ' A' ' 600' ' ' ILE . 4.3 m -141.26 -159.57 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.426 179.132 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 600' ' ' ILE . . . . . 0.659 HD12 ' HG3' ' A' ' 487' ' ' LYS . 14.6 mt 73.21 -68.79 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 O-C-N 123.531 0.519 . . . . 0.0 112.253 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 601' ' ' LEU . . . . . 0.449 ' HA ' ' HA ' ' A' ' 485' ' ' THR . 51.4 mt 59.8 -120.24 0.97 Allowed 'General case' 0 N--CA 1.465 0.292 0 O-C-N 123.501 0.5 . . . . 0.0 110.898 -179.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 602' ' ' GLU . . . . . 0.701 ' HB2' ' CG1' ' A' ' 678' ' ' VAL . 3.4 mp0 -71.33 127.2 91.58 Favored Pre-proline 0 CA--C 1.532 0.277 0 CA-C-O 120.927 0.394 . . . . 0.0 110.035 178.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 603' ' ' PRO . . . . . 0.577 ' HA ' ' O ' ' A' ' 676' ' ' ALA . 72.9 Cg_endo -74.97 -170.09 0.73 Allowed 'Trans proline' 0 CA--C 1.532 0.411 0 C-N-CA 122.877 2.385 . . . . 0.0 114.008 -178.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 604' ' ' MET . . . . . 0.718 ' HA ' ' HA ' ' A' ' 647' ' ' PRO . 32.1 ttm -75.99 124.94 28.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.939 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 605' ' ' MET . . . . . 0.477 ' SD ' ' HA ' ' A' ' 672' ' ' PHE . 3.2 tpp -112.77 118.31 34.6 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.51 -179.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . 0.825 ' HA ' ' HB3' ' A' ' 645' ' ' TYR . 4.9 ptmt -73.15 139.06 46.11 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.506 179.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 607' ' ' VAL . . . . . . . . . . . . . 6.2 m -132.64 118.31 34.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.218 0.533 . . . . 0.0 111.271 -179.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 608' ' ' THR . . . . . . . . . . . . . 3.1 t -84.4 111.18 19.21 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.559 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 609' ' ' ILE . . . . . 0.759 ' HB ' ' HB ' ' A' ' 642' ' ' VAL . 45.0 mm -84.82 132.89 30.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.969 -178.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 610' ' ' GLU . . . . . 0.467 ' HG2' HG12 ' A' ' 641' ' ' VAL . 0.6 OUTLIER -135.99 121.14 18.95 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 178.826 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 611' ' ' MET . . . . . 0.431 ' HE1' HG21 ' A' ' 662' ' ' THR . 10.5 ptp -173.12 152.8 2.34 Favored Pre-proline 0 C--N 1.33 -0.245 0 O-C-N 123.645 0.591 . . . . 0.0 110.367 179.687 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 612' ' ' PRO . . . . . 0.759 ' HA ' ' HA ' ' A' ' 639' ' ' ALA . 68.8 Cg_exo -54.28 141.28 71.4 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 123.06 2.507 . . . . 0.0 112.843 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -84.01 -154.0 0.15 Allowed 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.793 -179.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 78.64 -0.56 2.47 Favored 'General case' 0 N--CA 1.462 0.173 0 C-N-CA 124.08 0.952 . . . . 0.0 110.031 -178.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 615' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -132.22 30.52 4.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.144 178.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 616' ' ' MET . . . . . . . . . . . . . 19.5 ptp -47.18 -41.35 17.8 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 -179.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 617' ' ' GLY . . . . . . . . . . . . . . . -73.22 -27.46 68.17 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.518 -0.848 . . . . 0.0 112.244 -179.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 618' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -86.54 -47.41 9.27 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.841 0.353 . . . . 0.0 110.873 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 619' ' ' ILE . . . . . 0.449 ' O ' HG23 ' A' ' 623' ' ' VAL . 39.5 mm -61.47 -51.96 66.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.905 -179.176 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 620' ' ' MET . . . . . . . . . . . . . 57.1 ttp -59.17 -38.92 80.96 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.617 0.246 . . . . 0.0 111.226 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 621' ' ' GLY . . . . . . . . . . . . . . . -63.56 -37.62 95.04 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.078 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -69.23 -31.84 70.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.951 0.405 . . . . 0.0 110.096 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 623' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 619' ' ' ILE . 62.4 t -71.47 -44.64 70.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.813 179.554 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 624' ' ' THR . . . . . . . . . . . . . 1.1 p -65.74 -27.99 68.71 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-O 120.958 0.408 . . . . 0.0 110.692 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 625' ' ' SER . . . . . . . . . . . . . 51.0 m -74.69 1.66 11.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.909 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 626' ' ' ARG . . . . . 0.454 HH22 ' HB2' ' A' ' 657' ' ' SER . 83.9 mtt-85 -119.39 14.8 12.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.853 178.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 627' ' ' ARG . . . . . 0.497 HH12 ' HG2' ' A' ' 647' ' ' PRO . 34.3 mtp-105 67.41 27.91 7.94 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.18 -179.226 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 628' ' ' GLY . . . . . 0.713 ' HA2' HG22 ' A' ' 646' ' ' VAL . . . -83.39 137.09 15.85 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.612 -0.804 . . . . 0.0 113.225 -179.306 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 629' ' ' ARG . . . . . 0.611 ' HB3' ' CE1' ' A' ' 645' ' ' TYR . 0.0 OUTLIER -108.81 113.88 27.19 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 178.435 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 630' ' ' VAL . . . . . . . . . . . . . 61.8 t -83.09 134.38 27.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 112.43 0.529 . . . . 0.0 112.43 -177.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 631' ' ' ASP . . . . . 0.597 ' HB2' ' CE2' ' A' ' 645' ' ' TYR . 4.7 t70 -112.6 -46.3 3.16 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.152 0.501 . . . . 0.0 109.896 178.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 632' ' ' GLY . . . . . . . . . . . . . . . -118.39 173.37 14.84 Favored Glycine 0 N--CA 1.449 -0.45 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 179.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 633' ' ' MET . . . . . . . . . . . . . 21.9 ttt -176.8 76.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.87 0.367 . . . . 0.0 110.18 -178.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -116.09 126.68 27.41 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.083 -179.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 635' ' ' PRO . . . . . 0.422 ' HA ' ' HA ' ' A' ' 640' ' ' GLN . 85.2 Cg_endo -82.07 160.54 18.12 Favored 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 122.97 2.447 . . . . 0.0 112.873 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 636' ' ' ARG . . . . . 0.706 ' HB3' HG22 ' B' ' 35' ' ' VAL . 0.4 OUTLIER -146.17 88.66 1.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.644 179.558 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . 76.67 -97.55 1.23 Allowed Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.562 -0.827 . . . . 0.0 111.285 -179.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 638' ' ' ASN . . . . . 0.41 ' OD1' ' HG3' ' B' ' 31' ' ' GLU . 8.3 t-20 -108.04 -31.89 7.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.593 0.196 . . . . 0.0 111.122 179.096 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 639' ' ' ALA . . . . . 0.759 ' HA ' ' HA ' ' A' ' 612' ' ' PRO . . . -92.98 179.3 5.49 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 121.143 -0.223 . . . . 0.0 110.802 -179.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 640' ' ' GLN . . . . . 0.422 ' HA ' ' HA ' ' A' ' 635' ' ' PRO . 11.1 tt0 -154.18 131.72 11.36 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -178.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 641' ' ' VAL . . . . . 0.467 HG12 ' HG2' ' A' ' 610' ' ' GLU . 1.4 m -90.78 105.53 16.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.4 0.619 . . . . 0.0 110.086 178.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 642' ' ' VAL . . . . . 0.759 ' HB ' ' HB ' ' A' ' 609' ' ' ILE . 6.2 t -96.88 91.13 2.55 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.323 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 643' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -67.53 106.74 2.25 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.91 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -127.72 -162.5 1.18 Allowed 'General case' 0 N--CA 1.444 -0.761 0 CA-C-O 121.413 0.625 . . . . 0.0 111.568 -178.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 645' ' ' TYR . . . . . 0.825 ' HB3' ' HA ' ' A' ' 606' ' ' LYS . 2.7 p90 -169.82 136.73 1.59 Allowed 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 114.71 -1.132 . . . . 0.0 110.575 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 646' ' ' VAL . . . . . 0.713 HG22 ' HA2' ' A' ' 628' ' ' GLY . 46.4 t -132.51 128.72 21.15 Favored Pre-proline 0 C--N 1.32 -0.712 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 179.279 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 647' ' ' PRO . . . . . 0.718 ' HA ' ' HA ' ' A' ' 604' ' ' MET . 45.1 Cg_endo -69.73 77.23 1.07 Allowed 'Trans proline' 0 N--CA 1.464 -0.214 0 C-N-CA 121.991 1.794 . . . . 0.0 111.244 179.377 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 648' ' ' LEU . . . . . 0.44 ' HA ' HG12 ' A' ' 678' ' ' VAL . 44.7 tp -178.33 117.19 0.08 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.155 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.16 164.76 18.95 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 178.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 650' ' ' GLU . . . . . 0.536 ' HG2' ' H ' ' A' ' 651' ' ' MET . 8.9 tt0 76.45 -153.1 0.03 OUTLIER 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.111 0.481 . . . . 0.0 111.558 178.368 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 651' ' ' MET . . . . . 0.536 ' H ' ' HG2' ' A' ' 650' ' ' GLU . 14.4 ptp -149.33 70.74 1.09 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.972 -179.215 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 652' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.71 72.65 1.5 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.229 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 653' ' ' GLY . . . . . . . . . . . . . . . 86.09 -7.08 79.53 Favored Glycine 0 N--CA 1.451 -0.302 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.183 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 654' ' ' TYR . . . . . 0.448 ' CE1' ' HD3' ' A' ' 626' ' ' ARG . 31.7 t80 -60.07 -44.03 95.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.86 0.362 . . . . 0.0 111.25 -179.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 655' ' ' ALA . . . . . . . . . . . . . . . -69.57 -39.55 77.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.798 -179.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 656' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.76 -49.89 75.96 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.83 0.348 . . . . 0.0 111.731 -179.233 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 657' ' ' SER . . . . . 0.454 ' HB2' HH22 ' A' ' 626' ' ' ARG . 1.7 p -67.78 -43.4 79.85 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.83 0.348 . . . . 0.0 111.139 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 658' ' ' LEU . . . . . . . . . . . . . 19.6 tp -62.08 -42.4 99.16 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 659' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -58.47 -45.64 88.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.435 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 660' ' ' SER . . . . . . . . . . . . . 4.3 m -68.55 -44.09 75.24 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.305 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 661' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -62.05 -37.45 85.03 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -179.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 662' ' ' THR . . . . . 0.431 HG21 ' HE1' ' A' ' 611' ' ' MET . 51.9 p -99.18 2.9 46.24 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -178.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 663' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 66.53 15.89 10.25 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.975 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 664' ' ' GLY . . . . . . . . . . . . . . . 94.5 29.08 9.7 Favored Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 665' ' ' ARG . . . . . 0.656 ' HD2' ' OD1' ' B' ' 29' ' ' ASP . 26.5 mtm180 -131.57 34.87 3.88 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.33 0.586 . . . . 0.0 109.766 -179.393 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 666' ' ' GLY . . . . . . . . . . . . . . . -138.01 131.41 5.42 Favored Glycine 0 N--CA 1.443 -0.882 0 N-CA-C 110.724 -0.95 . . . . 0.0 110.724 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 667' ' ' THR . . . . . . . . . . . . . 10.8 t -137.93 172.01 13.56 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 110.14 -0.318 . . . . 0.0 110.14 -179.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 668' ' ' TYR . . . . . 0.503 ' OH ' ' HB3' ' A' ' 651' ' ' MET . 24.7 p90 -163.7 169.29 18.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.966 0.412 . . . . 0.0 110.692 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 669' ' ' THR . . . . . . . . . . . . . 23.7 m -139.63 126.22 20.49 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 179.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 670' ' ' MET . . . . . . . . . . . . . 10.3 ptm -93.28 145.29 24.56 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 123.187 0.304 . . . . 0.0 111.412 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 671' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -155.66 148.26 24.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.89 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 672' ' ' PHE . . . . . 0.477 ' HA ' ' SD ' ' A' ' 605' ' ' MET . 72.8 t80 -63.28 128.51 36.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.802 0.334 . . . . 0.0 110.523 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 673' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -113.55 -73.16 0.67 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -179.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 674' ' ' HIS . . . . . . . . . . . . . 47.3 m80 -140.49 167.32 22.43 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -178.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 675' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -76.74 91.69 3.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.395 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 676' ' ' ALA . . . . . 0.577 ' O ' ' HA ' ' A' ' 603' ' ' PRO . . . -131.85 -176.88 4.2 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 677' ' ' GLU . . . . . 0.437 ' CB ' ' HA ' ' A' ' 600' ' ' ILE . 17.1 pt-20 -112.85 146.25 39.22 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.784 0.326 . . . . 0.0 111.686 -179.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 678' ' ' VAL . . . . . 0.701 ' CG1' ' HB2' ' A' ' 602' ' ' GLU . 0.0 OUTLIER -72.42 175.7 3.0 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.724 178.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 679' ' ' PRO . . . . . 0.613 ' HD2' ' HB ' ' A' ' 678' ' ' VAL . 52.4 Cg_exo -53.48 127.49 25.55 Favored 'Trans proline' 0 C--N 1.357 1.021 0 C-N-CA 122.217 1.944 . . . . 0.0 109.905 178.63 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 680' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -50.78 -39.16 51.94 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -178.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 681' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -44.27 90.93 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.134 -0.485 . . . . 0.0 112.148 -179.276 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 682' ' ' ILE . . . . . 0.502 HD12 ' HG2' ' A' ' 679' ' ' PRO . 66.2 mt -75.78 -38.26 36.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.014 0.435 . . . . 0.0 110.683 -179.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 683' ' ' ALA . . . . . 0.484 ' HB2' HG23 ' A' ' 678' ' ' VAL . . . -61.11 -44.38 97.44 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.901 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 684' ' ' GLU . . . . . 0.588 ' HA ' HG22 ' A' ' 687' ' ' ILE . 2.3 pt-20 -74.47 -17.06 60.83 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.253 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -74.42 -50.93 16.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.324 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 686' ' ' ILE . . . . . 0.4 HD11 HD13 ' A' ' 601' ' ' LEU . 11.5 pt -68.24 -36.2 74.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.608 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 687' ' ' ILE . . . . . 0.588 HG22 ' HA ' ' A' ' 684' ' ' GLU . 9.0 tp -67.96 -25.5 32.39 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 CA-C-O 120.973 0.415 . . . . 0.0 110.545 179.454 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 688' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 684' ' ' GLU . 3.2 ttmm -81.53 -40.7 22.77 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 179.021 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 689' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -64.55 -37.54 87.89 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.98 179.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -70.23 -17.17 63.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.521 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 691' ' ' LYS . . . . . 0.438 ' HD2' ' HA ' ' A' ' 691' ' ' LYS . 4.6 tptt -106.05 -3.76 21.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.729 0.3 . . . . 0.0 111.789 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 692' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.567 -1.129 . . . . 0.0 112.141 179.98 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 65.6 mtt . . . . . 0 N--CA 1.48 1.069 0 CA-C-O 120.896 0.379 . . . . 0.0 111.352 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -78.87 111.56 15.15 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 179.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 6.0 t -153.95 122.27 6.15 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 11.5 mmt -148.88 136.35 20.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.361 -0.836 . . . . 0.0 108.898 178.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 5.6 mt -126.49 73.91 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.756 0.312 . . . . 0.0 110.893 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -144.93 93.98 5.47 Favored Pre-proline 0 C--N 1.325 -0.464 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_exo -63.37 -34.03 67.83 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.802 2.335 . . . . 0.0 111.275 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . 0.669 ' CD2' ' HA ' ' B' ' 201' ' ' ASP . 1.5 t-80 -60.5 -42.78 97.03 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.115 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . 0.414 ' O ' HG13 ' B' ' 13' ' ' ILE . 2.2 mp0 -61.33 -43.44 98.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.654 0.264 . . . . 0.0 111.161 -179.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . 0.566 ' HB2' HG11 ' B' ' 83' ' ' VAL . 30.7 t80 -64.45 -42.0 96.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.193 0.52 . . . . 0.0 110.315 179.342 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -64.79 -41.01 96.15 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.796 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -62.0 -42.09 98.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.77 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.414 HG13 ' O ' ' B' ' 9' ' ' GLN . 94.3 mt -57.22 -45.14 84.68 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.958 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 1.4 ttp-105 -74.99 -21.21 59.28 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.408 -179.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 56.5 m -81.09 -35.39 31.75 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -179.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 27.3 m -68.58 -19.46 24.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.676 -0.41 . . . . 0.0 111.115 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.407 HG13 ' O ' ' B' ' 13' ' ' ILE . 47.6 mt -66.56 -17.45 22.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.533 179.15 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 94.0 mt -69.09 -46.25 68.23 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -179.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.503 ' O ' HG21 ' B' ' 36' ' ' ILE . 39.8 ttt180 -62.59 -22.28 66.26 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.41 ' HA ' HG21 ' B' ' 36' ' ' ILE . 56.1 tp -95.0 -55.69 3.0 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -179.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 38.1 tptt -58.2 -38.85 77.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.671 0.272 . . . . 0.0 111.308 -179.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -67.55 -35.78 79.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.962 0.41 . . . . 0.0 109.908 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.754 HG21 HG13 ' B' ' 36' ' ' ILE . 2.7 t -66.74 -31.57 54.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.313 179.577 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -66.93 -10.93 54.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.899 178.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 6.9 tmtt? -121.97 -48.26 2.13 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -178.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 3.6 m -79.61 -36.71 37.6 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 113.701 1.001 . . . . 0.0 113.701 -178.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.527 HG12 ' H ' ' B' ' 29' ' ' ASP . 76.6 t -79.8 117.9 26.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.298 0.571 . . . . 0.0 112.348 -178.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -93.89 38.67 1.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.709 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . 0.656 ' OD1' ' HD2' ' A' ' 665' ' ' ARG . 10.2 t70 -140.44 159.1 42.93 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 179.26 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.452 ' HB3' ' HE2' ' B' ' 30' ' ' LYS . 35.0 ttpt -100.55 -28.78 12.71 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -178.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.41 ' HG3' ' OD1' ' A' ' 638' ' ' ASN . 12.7 mm-40 -69.67 -44.48 70.41 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 121.087 -0.245 . . . . 0.0 111.225 -178.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' THR . . . . . 0.419 ' O ' HG12 ' B' ' 36' ' ' ILE . 46.2 m -63.64 -34.91 78.9 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 178.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.491 HG22 HG12 ' B' ' 23' ' ' VAL . 25.3 t -61.76 -46.3 96.83 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.507 178.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 45.0 mtmt -63.1 -37.04 85.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.108 179.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . 0.754 HG21 ' HB3' ' A' ' 639' ' ' ALA . 60.4 t -62.31 -47.35 93.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.461 179.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.754 HG13 HG21 ' B' ' 23' ' ' VAL . 40.9 mm -66.31 -35.3 74.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.347 179.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -59.53 -44.04 93.3 Favored 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 178.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 6.8 m -61.28 -41.83 97.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.397 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.403 ' CD ' HH22 ' A' ' 636' ' ' ARG . 1.3 tp10 -63.15 -53.36 54.5 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.764 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 4.6 m -59.16 -40.55 85.91 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.82 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -63.81 -48.28 77.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.515 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -68.95 -37.01 78.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.751 -179.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.08 -55.36 28.27 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.394 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 57.3 mt -68.24 -37.58 78.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.552 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -60.14 -39.96 88.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.927 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -66.06 -22.14 66.41 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 87.8 mt -75.78 -52.73 17.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.931 0.396 . . . . 0.0 110.443 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -84.37 100.29 11.19 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.897 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -59.0 -35.12 82.25 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.169 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 10.9 m170 -124.23 89.8 3.15 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.852 0.358 . . . . 0.0 110.21 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 35.5 pt -73.49 139.67 19.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.072 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -97.63 174.66 6.53 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.741 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.16 -42.96 82.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.458 -179.29 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.66 -41.48 75.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.731 -179.153 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 58.7 mt -59.79 -45.01 95.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 178.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -62.41 -41.8 98.95 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.045 179.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -64.61 -39.78 94.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.472 179.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 12.1 m -66.89 -37.55 84.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.166 179.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.506 ' HA ' HD12 ' B' ' 62' ' ' LEU . 57.4 mt -65.43 -34.74 79.01 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 2.7 ttpm? -64.19 -35.73 81.77 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.221 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 78.6 t -69.17 -36.52 73.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.197 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.506 HD12 ' HA ' ' B' ' 59' ' ' LEU . 59.8 mt -65.39 -24.77 67.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.672 179.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 22.6 mmt -75.18 -15.49 60.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.993 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 28.3 t30 -75.0 133.3 41.7 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.835 0.35 . . . . 0.0 110.182 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 35.5 pt -67.37 -23.44 30.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.603 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' B' ' 66' ' ' ARG . 10.0 mtt180 -96.22 51.74 1.23 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.31 0.576 . . . . 0.0 111.021 179.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 43.0 tp -78.41 92.33 4.58 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 115.459 -0.792 . . . . 0.0 110.593 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . 0.442 ' O ' HG13 ' B' ' 72' ' ' ILE . 10.2 p -73.62 164.09 27.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.609 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -65.66 -30.03 70.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.044 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . 0.539 ' HD3' ' HA ' ' B' ' 70' ' ' LYS . 51.3 mmtt -70.64 -36.9 73.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.625 179.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.0 -39.42 93.44 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 178.361 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' ILE . . . . . 0.442 HG13 ' O ' ' B' ' 68' ' ' SER . 56.9 mt -66.19 -42.27 90.79 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.83 179.349 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -56.05 -45.8 79.11 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.862 179.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.36 -44.22 96.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.609 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 95.6 mt -65.06 -46.24 91.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.379 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 69.1 mt -61.91 -42.59 99.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.914 0.387 . . . . 0.0 110.558 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -63.0 -28.57 70.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.289 0.566 . . . . 0.0 110.242 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -78.43 -31.11 47.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.031 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 3.7 m-30 -74.44 -26.8 60.28 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.101 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' LEU . . . . . 0.441 HD12 HG23 ' B' ' 83' ' ' VAL . 37.5 tp -60.55 -20.47 60.45 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.258 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -67.16 -24.73 65.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.009 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -95.36 5.07 52.64 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -178.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.566 HG11 ' HB2' ' B' ' 10' ' ' TYR . 2.5 m -137.05 -172.85 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.959 0.409 . . . . 0.0 111.991 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 4.0 m -140.46 148.12 52.28 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.847 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' PRO . . . . . 0.513 ' HB3' ' HG2' ' B' ' 115' ' ' LYS . 90.9 Cg_endo -81.69 -178.26 4.09 Favored 'Trans proline' 0 C--O 1.235 0.333 0 C-N-CA 122.631 2.221 . . . . 0.0 112.41 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -86.47 173.23 9.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.858 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -127.98 139.34 52.62 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.622 -179.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' B' ' 88' ' ' LEU . 14.6 mt -94.44 115.09 64.87 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.025 178.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' B' ' 88' ' ' LEU . 27.6 Cg_endo -62.11 142.04 90.76 Favored 'Trans proline' 0 N--CA 1.462 -0.328 0 C-N-CA 122.725 2.283 . . . . 0.0 112.926 -179.253 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' SER . . . . . 0.593 ' HB2' ' OE1' ' B' ' 92' ' ' GLN . 1.6 p -74.98 159.87 81.89 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.898 179.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -48.58 -43.12 34.48 Favored 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 122.976 2.451 . . . . 0.0 112.586 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' GLN . . . . . 0.593 ' OE1' ' HB2' ' B' ' 90' ' ' SER . 1.0 OUTLIER -62.11 -39.36 92.24 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.685 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -73.47 -36.83 65.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.901 0.382 . . . . 0.0 110.623 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 16.9 tp -67.36 -45.68 75.63 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.755 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 95' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -68.92 -18.62 64.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.171 0.51 . . . . 0.0 110.315 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 25.4 ttpt -71.48 -29.98 65.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.611 178.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 97' ' ' VAL . . . . . . . . . . . . . 24.5 t -91.97 -53.07 9.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.536 179.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 98' ' ' PHE . . . . . 0.558 ' HB3' ' HB ' ' B' ' 101' ' ' VAL . 72.5 m-85 -89.81 64.46 6.44 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.388 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 99' ' ' LYS . . . . . 0.451 ' HE3' ' HB2' ' B' ' 99' ' ' LYS . 34.3 mtmt -69.43 -19.19 63.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.729 -179.078 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -100.52 4.86 43.9 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.041 0.448 . . . . 0.0 111.3 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' VAL . . . . . 0.558 ' HB ' ' HB3' ' B' ' 98' ' ' PHE . 23.7 t -117.76 101.19 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.265 0.555 . . . . 0.0 110.464 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 24.2 mtmt -89.01 149.76 23.1 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.016 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 51.8 mttm 67.57 25.37 8.35 Favored 'General case' 0 N--CA 1.464 0.265 0 O-C-N 123.759 0.662 . . . . 0.0 112.389 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' ILE . . . . . 0.491 ' HB ' HG12 ' B' ' 101' ' ' VAL . 20.7 tt -84.86 141.73 14.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.516 179.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 25.2 tptp -150.53 137.53 19.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.897 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 1.1 mp -85.61 131.89 46.2 Favored Pre-proline 0 C--N 1.327 -0.375 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -67.05 149.1 82.51 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.357 2.038 . . . . 0.0 111.122 179.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -74.71 105.52 5.83 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.06 0.457 . . . . 0.0 110.99 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -83.32 -179.12 7.3 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.966 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -96.62 151.38 19.66 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.428 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . 0.452 ' O ' ' HG3' ' B' ' 115' ' ' LYS . 3.6 mt-10 -59.92 -44.54 94.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.711 179.459 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -60.47 -44.21 96.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.079 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -64.05 -36.0 82.56 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.191 -179.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 95.0 mt -72.56 -5.36 36.61 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . 0.513 ' HG2' ' HB3' ' B' ' 85' ' ' PRO . 88.9 mttt -101.21 -5.79 25.1 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.878 0.37 . . . . 0.0 110.637 179.481 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 4.3 m -130.24 13.76 2.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.621 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 45.6 m -119.69 133.54 55.59 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.245 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 118' ' ' SER . . . . . . . . . . . . . 7.1 m -103.9 -9.22 19.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.802 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -152.81 136.68 16.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.657 179.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 34.9 t -105.44 116.94 50.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 121' ' ' GLY . . . . . 0.516 ' HA2' ' O ' ' B' ' 131' ' ' TYR . . . -133.84 101.89 0.44 Allowed Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.412 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 122' ' ' TRP . . . . . . . . . . . . . 26.1 p90 -98.6 152.47 19.56 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.934 0.397 . . . . 0.0 110.73 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -106.79 136.37 46.73 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.057 -179.518 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -110.25 114.65 28.3 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 179.59 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 13.2 tp -87.82 32.69 0.73 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.119 0.485 . . . . 0.0 112.209 -178.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -96.41 -47.6 5.92 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 179.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.84 4.52 9.43 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.19 -0.914 . . . . 0.0 109.336 178.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 128' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 67.82 65.19 0.38 Allowed 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.983 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 76.8 mtm180 -141.63 148.6 39.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.187 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -114.42 130.45 56.71 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.851 178.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 131' ' ' TYR . . . . . 0.516 ' O ' ' HA2' ' B' ' 121' ' ' GLY . 52.0 m-85 -104.82 117.72 34.75 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 55.0 mt -113.95 122.95 69.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.919 0.39 . . . . 0.0 111.283 -179.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 133' ' ' ILE . . . . . . . . . . . . . 21.5 pt -121.94 140.72 45.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.11 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 134' ' ' TYR . . . . . . . . . . . . . 27.5 p90 -156.48 -170.64 3.41 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.593 0.711 . . . . 0.0 110.927 -179.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 135' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -126.39 128.9 47.76 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.272 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -86.4 178.11 7.23 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.294 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 137' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -57.79 -22.67 48.51 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.665 0.987 . . . . 0.0 113.665 -178.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -85.44 6.11 28.2 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 122.455 -0.153 . . . . 0.0 111.203 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 139' ' ' LYS . . . . . . . . . . . . . 99.8 mttt 65.48 34.82 7.7 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.277 0.56 . . . . 0.0 110.937 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 140' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -111.76 141.76 44.97 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.571 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 141' ' ' LEU . . . . . . . . . . . . . 23.9 tp -78.04 125.82 29.92 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 142' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp -129.68 130.85 46.05 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 143' ' ' GLY . . . . . . . . . . . . . . . -137.67 147.29 19.14 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.609 -179.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -144.82 164.83 29.86 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 179.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 145' ' ' TYR . . . . . . . . . . . . . 19.7 p90 -137.64 148.71 46.0 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.619 0.247 . . . . 0.0 110.565 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . -150.64 156.15 26.55 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.971 -0.633 . . . . 0.0 111.87 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . . 12.2 mp0 -68.94 151.63 46.3 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.732 0.301 . . . . 0.0 111.223 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 148' ' ' ILE . . . . . 0.449 ' HA ' ' O ' ' B' ' 168' ' ' LEU . 20.6 tt -131.27 138.71 52.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.736 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 149' ' ' SER . . . . . 0.455 ' OG ' ' HB3' ' B' ' 168' ' ' LEU . 1.2 m -69.56 142.19 53.65 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 120.891 0.377 . . . . 0.0 111.409 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 150' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -80.25 48.44 1.01 Allowed 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 121.686 0.755 . . . . 0.0 110.189 179.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 151' ' ' GLN . . . . . 0.4 ' HA ' ' OE1' ' B' ' 151' ' ' GLN . 6.9 tp60 -156.57 144.12 19.17 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.789 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 152' ' ' VAL . . . . . . . . . . . . . 2.0 t -119.85 100.68 9.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.721 -0.218 . . . . 0.0 111.061 -179.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 153' ' ' VAL . . . . . 0.539 HG21 ' CA ' ' A' ' 556' ' ' GLY . 3.1 m -107.42 -173.44 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-O 121.144 0.497 . . . . 0.0 111.204 179.406 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 154' ' ' LYS . . . . . . . . . . . . . 7.9 mtmt -112.19 128.88 56.36 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.953 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -160.56 -170.35 25.04 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.288 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 156' ' ' PHE . . . . . 0.571 ' N ' ' HA ' ' A' ' 558' ' ' PRO . 0.6 OUTLIER -110.0 103.94 12.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.135 0.493 . . . . 0.0 110.1 179.766 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 157' ' ' CYS . . . . . 0.759 ' SG ' ' HA ' ' B' ' 188' ' ' ILE . 43.1 t -69.81 141.85 53.25 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.125 -179.505 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 158' ' ' THR . . . . . 0.827 HG23 ' HA3' ' A' ' 519' ' ' GLY . 0.1 OUTLIER -66.28 -27.77 68.19 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.953 179.74 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 159' ' ' ILE . . . . . 0.505 ' O ' ' HB3' ' B' ' 204' ' ' GLN . 57.6 mt -66.14 -82.25 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -178.421 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 160' ' ' CYS . . . . . . . . . . . . . 11.2 p -78.82 -16.63 56.87 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 121.12 -0.232 . . . . 0.0 111.548 -178.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 161' ' ' ASN . . . . . 0.56 ' HA ' ' O ' ' B' ' 157' ' ' CYS . 0.7 OUTLIER 50.39 57.69 6.32 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.982 0.896 . . . . 0.0 111.372 -178.638 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 162' ' ' LYS . . . . . . . . . . . . . 40.8 mmtm -132.31 -170.82 2.5 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.394 -1.276 . . . . 0.0 109.066 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 163' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -115.95 115.1 25.58 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.946 0.403 . . . . 0.0 111.132 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 164' ' ' SER . . . . . . . . . . . . . 55.9 m -164.29 -178.64 5.61 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.694 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 165' ' ' ASN . . . . . . . . . . . . . 21.3 m-20 -68.5 113.24 5.87 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 166' ' ' VAL . . . . . . . . . . . . . 35.2 m -116.11 -178.91 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.812 0.815 . . . . 0.0 113.134 -178.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 167' ' ' SER . . . . . . . . . . . . . 60.1 m -157.24 -165.04 1.72 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.424 -1.262 . . . . 0.0 108.145 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 168' ' ' LEU . . . . . 0.874 HD13 ' HB3' ' A' ' 522' ' ' PHE . 17.3 tp -114.77 140.2 49.1 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.105 0.479 . . . . 0.0 112.117 -179.08 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 169' ' ' PHE . . . . . 1.015 ' HB2' HG12 ' B' ' 188' ' ' ILE . 50.3 t80 -118.09 96.97 5.57 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 176.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 170' ' ' MET . . . . . 0.467 ' HG3' ' OE2' ' A' ' 523' ' ' GLU . 50.5 ttm -91.67 124.12 35.58 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.337 -178.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 171' ' ' LYS . . . . . 0.522 ' HD3' ' HB3' ' B' ' 212' ' ' LEU . 18.2 tttm -131.26 139.55 49.66 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.177 0.513 . . . . 0.0 110.087 179.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 172' ' ' LYS . . . . . 0.484 ' HE2' ' HE3' ' B' ' 183' ' ' LYS . 85.2 mttt -103.11 153.82 19.92 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 179.149 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 173' ' ' SER . . . . . . . . . . . . . 45.2 p -77.29 175.94 9.25 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.82 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 174' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -70.14 115.8 9.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.643 0.259 . . . . 0.0 110.462 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 175' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.92 126.36 25.42 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.018 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 176' ' ' ASN . . . . . . . . . . . . . 39.2 p30 -77.46 -175.42 3.77 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.229 -0.441 . . . . 0.0 112.081 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 177' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.75 -31.5 70.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.934 -0.575 . . . . 0.0 112.38 -179.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 178' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -79.68 -17.8 52.82 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.944 0.402 . . . . 0.0 111.133 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 179' ' ' GLY . . . . . . . . . . . . . . . 93.96 18.26 37.88 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.726 -0.75 . . . . 0.0 111.836 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 180' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -99.12 156.26 17.04 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 179.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 181' ' ' TYR . . . . . 0.466 ' CE1' ' HD3' ' B' ' 172' ' ' LYS . 53.9 p90 -157.29 176.05 13.2 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.725 0.298 . . . . 0.0 110.739 -179.008 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 182' ' ' VAL . . . . . . . . . . . . . 46.6 t -123.82 136.84 58.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 178.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 183' ' ' LYS . . . . . 1.02 ' HB2' ' HG2' ' A' ' 525' ' ' GLU . 15.4 mtpt -98.24 143.7 28.46 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 184' ' ' LYS . . . . . 0.442 ' HE2' ' O ' ' B' ' 211' ' ' LYS . 1.5 ptmt -154.09 104.54 2.64 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.248 0.547 . . . . 0.0 111.699 179.703 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 185' ' ' GLY . . . . . . . . . . . . . . . -109.2 144.64 16.54 Favored Glycine 0 N--CA 1.439 -1.146 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.026 178.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 186' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -134.31 163.0 30.63 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 187' ' ' TYR . . . . . 0.781 ' HE1' ' HB2' ' A' ' 522' ' ' PHE . 3.2 m-85 -77.29 128.68 34.74 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.14 0.495 . . . . 0.0 110.857 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 188' ' ' ILE . . . . . 1.015 HG12 ' HB2' ' B' ' 169' ' ' PHE . 1.6 pp -133.13 146.91 31.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.442 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 189' ' ' CYS . . . . . 0.454 ' HB2' ' HB2' ' B' ' 195' ' ' CYS . 35.0 m -70.93 129.13 38.23 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 178.283 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 190' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' B' ' 190' ' ' ARG . 17.3 ttm-85 -52.8 -59.45 4.48 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.957 0.408 . . . . 0.0 111.133 -179.256 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 191' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -82.86 101.64 11.11 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.984 179.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 192' ' ' SER . . . . . . . . . . . . . 70.8 m -63.84 -20.06 65.52 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -179.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 193' ' ' ILE . . . . . . . . . . . . . 30.3 mt -70.99 -49.85 46.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 194' ' ' HIS . . . . . . . . . . . . . 62.2 t60 -63.46 -30.48 71.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.279 178.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 195' ' ' CYS . . . . . 0.748 ' HG ' 'ZN ' ' B' ' 301' ' ' ' ZN' . 51.2 t -75.29 -33.58 61.23 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.156 179.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 196' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -64.96 -39.26 93.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.928 0.394 . . . . 0.0 110.581 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 197' ' ' LYS . . . . . . . . . . . . . 42.4 mttt -73.65 -7.83 53.54 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.914 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 198' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -105.88 6.21 31.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.267 179.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 199' ' ' LEU . . . . . . . . . . . . . 17.5 tp -75.73 88.33 2.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.193 -179.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 200' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.57 -38.18 83.72 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.451 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 201' ' ' ASP . . . . . 0.669 ' HA ' ' CD2' ' B' ' 8' ' ' HIS . 57.9 t0 -146.09 138.33 25.27 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.292 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 202' ' ' ILE . . . . . 0.402 ' HB ' ' HB2' ' B' ' 8' ' ' HIS . 18.3 tt -71.41 -23.87 23.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.219 0.533 . . . . 0.0 109.976 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 203' ' ' ASN . . . . . . . . . . . . . 59.5 m-80 -66.68 -26.16 66.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.936 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 204' ' ' GLN . . . . . 0.505 ' HB3' ' O ' ' B' ' 159' ' ' ILE . 22.1 mt-30 -67.58 -36.68 81.36 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 178.331 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 205' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -75.08 -40.57 60.0 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.291 178.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 206' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -63.09 -35.05 78.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.806 179.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 207' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -67.79 -34.93 77.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.571 0.701 . . . . 0.0 109.959 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 208' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -64.19 -41.89 96.9 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.66 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 209' ' ' ILE . . . . . . . . . . . . . 45.0 mm -65.42 -35.38 75.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.742 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 210' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -67.81 -16.91 64.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.635 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 211' ' ' LYS . . . . . 0.442 ' O ' ' HE2' ' B' ' 184' ' ' LYS . 66.4 tttt -99.63 -12.22 20.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.579 -178.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 212' ' ' LEU . . . . . 0.522 ' HB3' ' HD3' ' B' ' 171' ' ' LYS . 35.1 mt -79.32 -18.76 51.93 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 -178.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 213' ' ' ASP . . . . . . . . . . . . . 2.1 t70 . . . . . 0 C--O 1.247 0.932 0 CA-C-O 118.648 -0.691 . . . . 0.0 110.688 -179.709 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 301' ' ' ' ZN' . . . . . 0.748 'ZN ' ' HG ' ' B' ' 195' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_