data_5m4t_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 5m4t _Structure_validation_residue.Date_analyzed 2017-09-15 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 379' ' ' SER . . . . . 0.414 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 16.0 m . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.806 0.336 . . . . 0.0 111.426 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -75.85 -31.09 59.17 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.689 -0.404 . . . . 0.0 111.455 -177.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -59.01 -61.33 2.72 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-O 120.747 0.308 . . . . 0.0 110.919 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 382' ' ' ASN . . . . . 0.478 ' O ' HG13 ' A' ' 386' ' ' ILE . 2.9 p30 -64.46 -33.13 75.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.573 -176.3 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 383' ' ' LYS . . . . . 0.707 ' HE3' ' HA ' ' A' ' 383' ' ' LYS . 0.0 OUTLIER -63.25 -53.58 50.75 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 121.417 0.627 . . . . 0.0 109.442 178.402 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -59.6 -40.83 88.76 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.798 -1.092 . . . . 0.0 110.9 178.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -62.76 -39.93 95.69 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.704 -178.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 386' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 382' ' ' ASN . 89.8 mt -64.81 -40.68 89.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.249 0.547 . . . . 0.0 109.849 179.124 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 387' ' ' CYS . . . . . 0.4 ' O ' ' HB3' ' A' ' 414' ' ' CYS . 32.9 m -66.14 -44.78 83.22 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.551 176.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.7 -17.96 62.19 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.019 -177.407 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -68.34 -18.33 64.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.914 0.388 . . . . 0.0 110.707 176.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -92.28 -11.43 35.25 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 177.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 391' ' ' LYS . . . . . 0.587 ' HZ2' ' HB3' ' A' ' 391' ' ' LYS . 9.8 mtpm? 56.98 -96.76 0.07 Allowed 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 114.615 -1.175 . . . . 0.0 111.804 -179.427 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -131.67 18.32 4.73 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.935 0.398 . . . . 0.0 111.011 -175.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -81.11 110.0 16.2 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 173.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 394' ' ' GLN . . . . . 0.471 ' O ' ' HG2' ' A' ' 398' ' ' GLU . 64.9 tt0 -65.63 -48.72 71.26 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.316 -175.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -59.94 -42.0 93.05 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.678 0.275 . . . . 0.0 110.887 -176.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 396' ' ' ALA . . . . . 0.565 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -60.45 -39.73 88.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.121 0.486 . . . . 0.0 110.509 177.359 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 12.9 t -69.88 -38.2 76.29 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.377 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 398' ' ' GLU . . . . . 0.471 ' HG2' ' O ' ' A' ' 394' ' ' GLN . 10.9 mm-40 -57.96 -35.31 70.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.407 175.094 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -73.95 -31.46 63.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.623 176.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . 0.565 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 78.7 mt -87.56 0.46 55.57 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.966 -179.523 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . 0.529 ' HA ' ' O ' ' A' ' 405' ' ' CYS . 4.1 tmtp? -56.97 -33.4 67.02 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.242 -178.28 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -66.05 -23.43 66.54 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.225 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 49.4 mttm -94.3 4.43 53.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.815 -174.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 99.84 11.55 43.12 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.756 177.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 405' ' ' CYS . . . . . 0.529 ' O ' ' HA ' ' A' ' 401' ' ' LYS . 90.8 m -94.68 130.68 41.08 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.993 0.425 . . . . 0.0 111.211 -179.679 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 9.5 p -129.93 130.8 66.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.133 178.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 407' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -70.0 125.78 27.75 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-O 121.082 0.467 . . . . 0.0 109.842 177.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -106.35 108.64 20.26 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.501 -178.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 34.5 p -69.57 -25.73 64.13 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.607 -176.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -59.07 -49.87 76.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.63 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 13.2 m -95.26 -12.69 25.79 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.12 -178.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 60.28 68.56 0.76 Allowed 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.583 0.706 . . . . 0.0 110.574 -176.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -170.44 165.61 8.59 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.913 175.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 414' ' ' CYS . . . . . 0.491 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 42.2 t -83.82 116.02 22.53 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 174.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -120.42 158.33 27.43 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.122 -171.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.608 HD11 ' HB3' ' A' ' 383' ' ' LYS . 50.7 tp . . . . . 0 C--N 1.323 -0.575 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 178.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt . . . . . 0 CA--C 1.52 -0.178 0 CA-C-O 121.561 0.696 . . . . 0.0 109.839 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -55.31 -59.69 4.44 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.313 -1.312 . . . . 0.0 110.296 174.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 98.2 t -69.0 -36.72 75.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.672 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 421' ' ' LYS . . . . . 0.624 ' HA ' ' HE2' ' A' ' 421' ' ' LYS . 0.6 OUTLIER -56.16 -42.49 77.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.809 0.338 . . . . 0.0 111.344 -179.548 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -77.44 -44.01 30.49 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.557 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 40.2 mtpt -64.6 -30.51 71.53 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.679 -178.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 63.4 tp -78.62 -34.26 46.75 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.093 0.473 . . . . 0.0 110.138 175.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.441 -179.396 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 379' ' ' SER . . . . . 0.565 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 13.0 p . . . . . 0 N--CA 1.456 -0.126 0 N-CA-C 112.181 0.438 . . . . 0.0 112.181 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -62.02 -48.78 78.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.619 0.247 . . . . 0.0 111.553 -176.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -64.44 -54.6 30.05 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -174.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 382' ' ' ASN . . . . . 0.481 ' O ' HG13 ' A' ' 386' ' ' ILE . 2.4 p30 -72.99 -35.47 66.87 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.543 -173.253 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 383' ' ' LYS . . . . . 0.697 ' HB3' HD13 ' A' ' 416' ' ' LEU . 13.0 mptt -69.44 -45.72 68.45 Favored 'General case' 0 CA--C 1.515 -0.389 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.593 -179.238 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -55.42 -41.32 72.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.867 0.365 . . . . 0.0 110.261 176.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -63.07 -41.3 99.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.653 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 386' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 382' ' ' ASN . 85.9 mt -67.37 -47.3 81.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.224 0.535 . . . . 0.0 109.843 179.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 57.9 m -61.99 -41.32 97.91 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.854 178.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -74.71 -21.14 59.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.979 -177.447 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -70.9 -19.45 62.6 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.877 0.37 . . . . 0.0 110.889 175.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -86.08 -13.89 45.94 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 176.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp 54.87 -115.3 0.94 Allowed 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 114.361 -1.291 . . . . 0.0 112.394 177.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 392' ' ' ASP . . . . . 0.566 ' HA ' ' HA ' ' A' ' 413' ' ' LYS . 3.9 m-20 -115.3 16.48 16.8 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.987 -171.178 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 52.6 t-20 -87.66 111.95 21.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.88 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 394' ' ' GLN . . . . . 0.516 ' HA ' ' CD1' ' A' ' 407' ' ' PHE . 64.3 tt0 -61.17 -50.59 72.53 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.235 -179.189 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 395' ' ' LYS . . . . . 0.429 ' HA ' ' HD3' ' A' ' 395' ' ' LYS . 66.6 mmtt -65.68 -40.29 92.22 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.7 -174.34 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 396' ' ' ALA . . . . . 0.527 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -60.68 -38.7 85.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.081 0.467 . . . . 0.0 110.189 176.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 32.4 t -69.14 -45.31 70.42 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.479 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 398' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' A' ' 394' ' ' GLN . 42.5 mt-10 -57.79 -31.28 66.4 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.07 178.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -67.81 -56.96 7.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.872 178.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 1.6 pp -85.4 11.8 9.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.024 0.44 . . . . 0.0 111.605 -177.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . 0.416 ' HG2' ' O ' ' A' ' 405' ' ' CYS . 1.7 tmtp? -57.09 -30.3 64.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.131 176.088 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -63.13 -26.89 69.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.354 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -77.28 -63.49 1.36 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.782 -176.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 179.64 25.81 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.148 -1.025 . . . . 0.0 112.555 177.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 405' ' ' CYS . . . . . 0.504 ' HB3' ' SG ' ' A' ' 414' ' ' CYS . 79.6 m -118.14 149.58 40.81 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.783 -176.655 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 10.3 p -142.08 137.9 30.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 176.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 407' ' ' PHE . . . . . 0.516 ' CD1' ' HA ' ' A' ' 394' ' ' GLN . 23.6 t80 -75.62 124.79 27.83 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-O 121.343 0.592 . . . . 0.0 110.093 -179.443 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 28.8 t30 -102.88 109.74 21.41 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.69 -178.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 1.8 p -68.46 -18.37 64.4 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.837 -0.62 . . . . 0.0 112.127 -175.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -67.16 -55.06 15.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.21 0.528 . . . . 0.0 110.015 174.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 8.6 t -88.81 7.31 34.73 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.328 -176.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 45.7 33.05 1.34 Allowed 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.218 1.007 . . . . 0.0 112.626 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 413' ' ' LYS . . . . . 0.566 ' HA ' ' HA ' ' A' ' 392' ' ' ASP . 0.1 OUTLIER -149.03 176.58 10.33 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 121.077 -0.249 . . . . 0.0 110.616 -177.58 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 414' ' ' CYS . . . . . 0.504 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 49.9 t -94.81 125.71 39.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.289 -178.153 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -130.3 175.0 9.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.204 0.526 . . . . 0.0 111.402 -177.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.697 HD13 ' HB3' ' A' ' 383' ' ' LYS . 26.8 tp . . . . . 0 C--N 1.326 -0.45 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.922 -178.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 418' ' ' LYS . . . . . 0.402 ' H ' ' HG ' ' A' ' 416' ' ' LEU . 27.6 ttmt . . . . . 0 CA--C 1.513 -0.467 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -59.04 -45.28 91.15 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.78 -1.1 . . . . 0.0 109.649 175.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 420' ' ' VAL . . . . . 0.45 ' O ' ' HG ' ' A' ' 424' ' ' LEU . 61.8 t -64.82 -51.12 71.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 114.997 -1.001 . . . . 0.0 110.438 179.406 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 17.3 ttmt -62.6 -34.95 78.03 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.085 -177.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -61.03 -43.05 99.47 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.665 -178.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 31.7 mtmm -78.17 -18.75 55.15 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 120.847 0.356 . . . . 0.0 111.856 178.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 424' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 420' ' ' VAL . 87.2 mt -83.82 -44.5 14.28 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.839 0.352 . . . . 0.0 110.164 177.204 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.34 176.697 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 379' ' ' SER . . . . . 0.624 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 12.3 m . . . . . 0 CA--C 1.53 0.202 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -67.85 -34.61 77.03 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.778 0.323 . . . . 0.0 111.307 -178.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -68.08 -53.13 27.76 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.344 -176.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 382' ' ' ASN . . . . . 0.532 ' O ' HG13 ' A' ' 386' ' ' ILE . 1.6 p30 -73.34 -30.25 63.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 -175.355 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 383' ' ' LYS . . . . . 0.624 ' HB2' ' O ' ' A' ' 379' ' ' SER . 11.8 tptt -67.08 -48.65 67.56 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 121.348 0.595 . . . . 0.0 109.686 -177.296 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 384' ' ' GLU . . . . . 0.416 ' HA ' ' HB2' ' A' ' 416' ' ' LEU . 8.8 tp10 -60.54 -39.4 87.77 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.915 -1.039 . . . . 0.0 110.348 178.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 2.0 tmtm? -62.7 -38.53 90.77 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.237 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 386' ' ' ILE . . . . . 0.532 HG13 ' O ' ' A' ' 382' ' ' ASN . 89.2 mt -61.75 -40.02 85.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.543 0.687 . . . . 0.0 109.898 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 32.8 m -71.62 -40.45 69.79 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.787 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.53 -17.47 63.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.446 -179.539 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -68.17 -19.62 64.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.884 0.373 . . . . 0.0 111.096 176.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 390' ' ' ALA . . . . . 0.402 ' HB2' HD21 ' A' ' 400' ' ' LEU . . . -87.32 -22.05 25.35 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.282 0.563 . . . . 0.0 109.745 177.297 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 90.7 mttt 61.29 -96.64 0.06 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 114.802 -1.09 . . . . 0.0 111.925 176.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 392' ' ' ASP . . . . . 0.433 ' HA ' ' HA ' ' A' ' 413' ' ' LYS . 9.1 p-10 -122.15 2.54 9.82 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.931 0.396 . . . . 0.0 110.755 -176.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -80.47 106.25 12.34 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.962 0.41 . . . . 0.0 110.09 -176.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -61.17 -42.05 97.88 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.181 -179.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 18.3 mtpp -61.96 -50.56 71.63 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 -178.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 396' ' ' ALA . . . . . 0.606 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -60.18 -37.48 80.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.623 -179.635 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 397' ' ' CYS . . . . . 0.441 ' HA ' HD13 ' A' ' 400' ' ' LEU . 42.5 t -62.82 -51.87 65.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.543 179.182 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -63.13 -18.23 63.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.249 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -75.69 -45.96 33.91 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-O 120.771 0.319 . . . . 0.0 110.744 175.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 1.4 pp -97.56 15.07 24.42 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.426 0.631 . . . . 0.0 110.805 -179.131 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 3.3 tmtp? -51.65 -25.73 7.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.621 -1.172 . . . . 0.0 112.014 178.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -62.06 -23.14 66.31 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.351 -0.84 . . . . 0.0 112.14 -174.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 403' ' ' LYS . . . . . 0.469 ' HD2' ' N ' ' A' ' 403' ' ' LYS . 11.1 mptt -88.58 -4.13 58.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.757 0.313 . . . . 0.0 111.708 -173.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 111.63 8.9 22.15 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.949 -0.643 . . . . 0.0 111.54 -179.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 54.3 m -87.09 126.83 35.02 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.219 -0.49 . . . . 0.0 110.837 -177.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 28.3 m -124.01 146.11 30.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 176.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 407' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -83.63 128.42 34.51 Favored 'General case' 0 N--CA 1.435 -1.218 0 C-N-CA 120.305 -0.558 . . . . 0.0 109.763 177.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -104.12 103.86 13.71 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.295 -179.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 34.1 p -66.75 -27.09 67.32 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.935 -173.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -59.21 -56.72 18.5 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.119 0.485 . . . . 0.0 110.624 -179.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 23.2 t -88.23 -11.04 47.8 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.767 -177.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 59.52 73.04 0.5 Allowed 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.65 0.738 . . . . 0.0 110.058 -173.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 413' ' ' LYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 392' ' ' ASP . 22.0 ptmt -165.91 158.87 15.27 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.098 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 414' ' ' CYS . . . . . . . . . . . . . 46.3 t -99.52 127.05 45.58 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 171.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -139.91 160.48 39.82 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.613 HD21 ' HB3' ' A' ' 383' ' ' LYS . 34.9 tp . . . . . 0 C--N 1.321 -0.665 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 176.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 24.9 mtmm . . . . . 0 CA--C 1.518 -0.282 0 CA-C-O 121.463 0.649 . . . . 0.0 110.663 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 419' ' ' ASP . . . . . 0.599 ' O ' ' HG3' ' A' ' 423' ' ' LYS . 2.7 t70 -59.71 -54.1 50.32 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.603 -1.181 . . . . 0.0 111.092 175.421 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 91.8 t -78.39 -31.93 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.231 -178.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 421' ' ' LYS . . . . . 0.742 ' HA ' ' HE2' ' A' ' 421' ' ' LYS . 0.6 OUTLIER -55.86 -46.31 78.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.941 176.176 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -61.81 -46.31 90.07 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.619 176.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 423' ' ' LYS . . . . . 0.599 ' HG3' ' O ' ' A' ' 419' ' ' ASP . 55.5 mttm -64.49 -21.65 66.74 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.037 0.446 . . . . 0.0 111.478 -178.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 41.6 tp -82.52 -36.52 26.29 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.586 -178.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 425' ' ' GLU . . . . . 0.427 ' OE2' ' HG3' ' A' ' 421' ' ' LYS . 8.5 pt-20 . . . . . 0 C--N 1.33 -0.27 0 CA-C-O 120.984 0.421 . . . . 0.0 110.854 178.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 CA--C 1.534 0.352 0 CA-C-O 121.228 0.537 . . . . 0.0 110.78 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -63.64 -39.61 94.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.011 0.434 . . . . 0.0 110.511 179.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -63.97 -55.45 22.33 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.815 -177.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 382' ' ' ASN . . . . . 0.601 ' O ' HG13 ' A' ' 386' ' ' ILE . 0.1 OUTLIER -72.04 -13.42 61.6 Favored 'General case' 0 C--O 1.224 -0.285 0 C-N-CA 120.382 -0.527 . . . . 0.0 112.153 -173.229 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 383' ' ' LYS . . . . . 0.418 ' HB3' HD21 ' A' ' 416' ' ' LEU . 3.1 mptp? -70.76 -49.48 46.3 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 171.619 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -63.75 -35.0 79.14 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.873 -1.058 . . . . 0.0 109.345 177.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 42.1 tptt -61.99 -41.63 98.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.085 -0.961 . . . . 0.0 111.332 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 386' ' ' ILE . . . . . 0.601 HG13 ' O ' ' A' ' 382' ' ' ASN . 85.2 mt -63.76 -39.63 86.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 121.384 0.611 . . . . 0.0 109.613 -179.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 387' ' ' CYS . . . . . 0.538 ' O ' ' HB3' ' A' ' 414' ' ' CYS . 58.9 m -63.9 -45.51 89.04 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.622 175.288 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.58 -23.8 66.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 -178.152 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -75.78 -27.66 58.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.575 177.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -83.44 -31.92 26.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.878 0.371 . . . . 0.0 110.645 -177.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt 63.63 -95.84 0.05 OUTLIER 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.467 -0.788 . . . . 0.0 112.286 172.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -118.09 -0.82 11.52 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 120.441 0.163 . . . . 0.0 111.225 -174.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -77.62 93.26 4.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.089 0.471 . . . . 0.0 110.066 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 394' ' ' GLN . . . . . 0.468 ' O ' ' HG2' ' A' ' 398' ' ' GLU . 44.9 tt0 -64.35 -37.42 87.43 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.87 -173.056 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -56.61 -43.5 80.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.606 0.241 . . . . 0.0 111.097 179.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 396' ' ' ALA . . . . . 0.727 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -61.63 -44.8 96.31 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 177.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 397' ' ' CYS . . . . . 0.54 ' HA ' HD11 ' A' ' 400' ' ' LEU . 85.4 m -61.69 -39.36 91.16 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.939 -1.028 . . . . 0.0 111.622 -179.378 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 398' ' ' GLU . . . . . 0.468 ' HG2' ' O ' ' A' ' 394' ' ' GLN . 27.9 mm-40 -59.04 -36.74 75.51 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.0 0.429 . . . . 0.0 110.531 175.76 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -75.72 -57.3 3.96 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.083 -178.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . 0.727 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 2.5 pp -78.26 6.39 8.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.557 -176.018 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . 0.505 ' HG2' ' O ' ' A' ' 405' ' ' CYS . 8.3 tmtm? -58.57 -33.67 70.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.389 0.614 . . . . 0.0 109.569 173.613 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -80.24 -2.66 46.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.641 -178.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -106.15 14.83 27.14 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.18 0.514 . . . . 0.0 110.455 -178.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 93.79 65.64 1.05 Allowed Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.544 -179.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 405' ' ' CYS . . . . . 0.505 ' O ' ' HG2' ' A' ' 401' ' ' LYS . 8.1 t -170.38 167.55 8.28 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 -179.385 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 12.1 p -162.11 137.71 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 172.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 407' ' ' PHE . . . . . 0.494 ' HD2' ' SG ' ' A' ' 397' ' ' CYS . 25.5 t80 -70.65 123.7 22.5 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 177.196 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -98.72 108.19 20.82 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 18.8 p -76.5 -13.37 60.1 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.628 -175.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -69.54 -44.99 69.83 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.731 -177.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 12.9 p -103.39 -1.45 28.58 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.256 0.55 . . . . 0.0 109.942 174.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 4.2 t30 55.65 70.43 0.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.77 -1.105 . . . . 0.0 110.943 -179.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -162.02 155.16 20.53 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.562 179.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 414' ' ' CYS . . . . . 0.538 ' HB3' ' O ' ' A' ' 387' ' ' CYS . 0.1 OUTLIER -69.87 117.83 11.95 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.667 168.186 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -135.46 141.37 45.35 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.053 0.454 . . . . 0.0 110.955 -176.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.525 HD22 ' HD3' ' A' ' 421' ' ' LYS . 19.3 tp . . . . . 0 C--N 1.319 -0.749 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 175.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 418' ' ' LYS . . . . . 0.58 ' O ' ' HB2' ' A' ' 422' ' ' GLU . 51.4 mtpt . . . . . 0 N--CA 1.451 -0.393 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -63.17 -64.58 0.87 Allowed 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.651 0.739 . . . . 0.0 109.685 173.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 420' ' ' VAL . . . . . 0.415 ' O ' HD21 ' A' ' 424' ' ' LEU . 44.4 t -61.45 -42.75 95.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 114.715 -1.129 . . . . 0.0 110.372 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 421' ' ' LYS . . . . . 0.525 ' HD3' HD22 ' A' ' 416' ' ' LEU . 15.2 ttpp -60.62 -32.05 71.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.628 -179.451 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 422' ' ' GLU . . . . . 0.58 ' HB2' ' O ' ' A' ' 418' ' ' LYS . 6.5 tp10 -66.62 -52.25 47.19 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.395 -177.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 18.0 ttpp -75.45 -21.56 58.03 Favored 'General case' 0 C--O 1.225 -0.19 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.498 -176.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 424' ' ' LEU . . . . . 0.415 HD21 ' O ' ' A' ' 420' ' ' VAL . 3.9 mm? -78.45 -45.47 22.11 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.196 0.522 . . . . 0.0 110.108 177.198 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 . . . . . 0 C--N 1.322 -0.602 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.465 174.265 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 379' ' ' SER . . . . . 0.47 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 5.9 m . . . . . 0 N--CA 1.455 -0.177 0 CA-C-O 120.954 0.407 . . . . 0.0 111.283 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -67.7 -34.99 77.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.395 -177.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -66.38 -56.96 8.54 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.663 -176.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 382' ' ' ASN . . . . . 0.557 ' O ' HG13 ' A' ' 386' ' ' ILE . 1.2 p30 -66.91 -32.09 73.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.322 -175.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 383' ' ' LYS . . . . . 0.627 ' HB3' HD13 ' A' ' 416' ' ' LEU . 0.3 OUTLIER -70.53 -45.28 65.84 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 -179.462 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 384' ' ' GLU . . . . . 0.497 ' HA ' ' HB2' ' A' ' 416' ' ' LEU . 7.1 tp10 -53.78 -47.68 70.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.67 174.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -60.46 -37.36 80.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.173 -0.921 . . . . 0.0 111.841 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 386' ' ' ILE . . . . . 0.557 HG13 ' O ' ' A' ' 382' ' ' ASN . 77.2 mt -62.93 -42.72 97.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.448 0.642 . . . . 0.0 109.624 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 30.0 m -72.03 -37.53 69.72 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 114.946 -1.024 . . . . 0.0 110.827 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -71.48 -21.68 61.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.832 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -66.05 -14.12 61.16 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 120.787 0.327 . . . . 0.0 111.804 177.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -91.07 -21.54 21.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.087 0.47 . . . . 0.0 110.031 176.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 13.9 mtpp 57.12 -103.98 0.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.25 -0.886 . . . . 0.0 112.561 178.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -103.13 -7.92 20.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.817 -174.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -80.92 94.47 6.51 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.062 0.458 . . . . 0.0 109.809 -177.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -60.87 -46.03 92.22 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.064 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -61.05 -45.23 95.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.033 -175.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 396' ' ' ALA . . . . . 0.521 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -62.25 -36.56 82.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.035 0.445 . . . . 0.0 110.425 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 397' ' ' CYS . . . . . 0.559 ' HA ' HD11 ' A' ' 400' ' ' LEU . 1.9 t -75.18 -36.37 61.47 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.302 -179.059 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -62.44 -25.16 67.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.937 0.398 . . . . 0.0 110.549 175.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -76.55 -51.23 12.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.858 177.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . 0.559 HD11 ' HA ' ' A' ' 397' ' ' CYS . 1.6 pp -86.66 14.36 7.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.417 0.627 . . . . 0.0 110.593 178.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . 0.596 ' HG3' ' O ' ' A' ' 405' ' ' CYS . 66.0 tttt -59.01 -15.03 11.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.89 175.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -53.43 -27.74 26.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.549 174.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -85.84 -8.61 57.97 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.794 0.331 . . . . 0.0 111.287 -178.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 404' ' ' GLY . . . . . 0.473 ' O ' HD11 ' A' ' 416' ' ' LEU . . . 99.01 52.61 1.25 Allowed Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.878 -0.677 . . . . 0.0 111.919 -177.301 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 405' ' ' CYS . . . . . 0.596 ' O ' ' HG3' ' A' ' 401' ' ' LYS . 92.1 m -115.91 117.73 30.98 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.905 0.383 . . . . 0.0 110.777 -177.349 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 57.3 t -117.12 116.52 52.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.189 -177.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 407' ' ' PHE . . . . . 0.799 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 26.5 t80 -61.06 121.05 11.49 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 175.347 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 408' ' ' ASN . . . . . 0.49 ' ND2' ' HB3' ' A' ' 410' ' ' GLU . 65.5 t30 -109.74 105.6 14.91 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.41 -173.181 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 10.6 p -62.52 -21.29 65.42 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.042 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 410' ' ' GLU . . . . . 0.49 ' HB3' ' ND2' ' A' ' 408' ' ' ASN . 26.6 tp10 -58.08 -39.75 79.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.527 176.537 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 15.2 m -106.48 -9.76 16.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.085 179.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 7.8 t30 71.98 15.84 5.55 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 121.813 0.816 . . . . 0.0 110.33 178.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -136.29 162.08 33.99 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 178.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 414' ' ' CYS . . . . . 0.799 ' HA ' ' HA ' ' A' ' 407' ' ' PHE . 16.4 t -82.28 128.66 34.42 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 120.234 -0.587 . . . . 0.0 109.559 176.467 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -124.24 174.69 7.53 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.842 -177.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.627 HD13 ' HB3' ' A' ' 383' ' ' LYS . 57.9 tp . . . . . 0 C--N 1.323 -0.572 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.152 176.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 418' ' ' LYS . . . . . 0.639 ' HA ' ' HB2' ' A' ' 421' ' ' LYS . 58.1 pttt . . . . . 0 C--O 1.225 -0.211 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -64.52 -43.73 93.11 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 168.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 420' ' ' VAL . . . . . 0.415 ' HA ' ' HG2' ' A' ' 423' ' ' LYS . 46.4 t -77.59 -37.93 25.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.265 178.582 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 421' ' ' LYS . . . . . 0.639 ' HB2' ' HA ' ' A' ' 418' ' ' LYS . 27.9 mtpp -60.42 -43.67 96.52 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.933 178.533 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -60.58 -57.25 13.54 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.716 177.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 423' ' ' LYS . . . . . 0.415 ' HG2' ' HA ' ' A' ' 420' ' ' VAL . 20.1 ptmt -66.27 -16.65 64.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.269 -0.423 . . . . 0.0 112.055 -173.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 57.7 tp -88.44 -42.91 11.84 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.756 0.313 . . . . 0.0 111.038 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 . . . . . 0 C--N 1.326 -0.434 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.322 -173.933 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 18.1 m . . . . . 0 N--CA 1.454 -0.26 0 CA-C-O 120.984 0.421 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -71.03 -37.86 72.6 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.245 176.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -58.77 -54.15 50.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.973 -177.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 382' ' ' ASN . . . . . 0.465 ' O ' HG13 ' A' ' 386' ' ' ILE . 3.4 p30 -73.52 -31.12 63.52 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.921 -175.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 383' ' ' LYS . . . . . 0.424 ' HB3' HD13 ' A' ' 416' ' ' LEU . 13.3 mptt -71.88 -35.14 69.67 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 120.96 0.41 . . . . 0.0 109.962 177.108 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -58.3 -44.27 88.45 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.643 173.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 385' ' ' LYS . . . . . 0.506 ' HD3' ' O ' ' A' ' 385' ' ' LYS . 1.4 tmtp? -63.93 -32.86 74.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.521 -179.623 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 386' ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' ' 382' ' ' ASN . 71.5 mt -63.43 -44.98 99.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.334 0.588 . . . . 0.0 109.541 178.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 35.4 m -71.33 -39.92 71.08 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.588 178.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.02 -19.3 64.89 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 179.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -71.11 -18.4 62.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.87 0.367 . . . . 0.0 110.685 176.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -86.75 -15.95 37.87 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 175.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp 57.53 -141.15 0.78 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 114.662 -1.153 . . . . 0.0 111.152 175.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 392' ' ' ASP . . . . . 0.573 ' HA ' ' HA ' ' A' ' 413' ' ' LYS . 6.7 p-10 -86.16 5.85 32.08 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.086 -179.406 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -84.76 102.03 12.7 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.159 0.504 . . . . 0.0 109.993 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -65.34 -34.45 78.36 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.959 -175.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -57.16 -46.52 82.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.764 178.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 396' ' ' ALA . . . . . 0.468 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -64.57 -40.11 94.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.492 178.594 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 27.2 t -60.71 -48.46 81.68 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.56 179.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -60.98 -27.45 68.3 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.502 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -70.07 -36.88 75.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.935 0.398 . . . . 0.0 111.016 178.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 1.7 pp -111.26 20.6 17.18 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.404 0.621 . . . . 0.0 110.984 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 4.9 tmtp? -54.76 -42.54 71.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.875 -1.057 . . . . 0.0 111.837 -178.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -63.93 -15.39 59.03 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.889 -177.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -80.93 3.15 23.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.747 0.308 . . . . 0.0 111.196 -179.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 100.06 12.59 39.24 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.052 179.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 405' ' ' CYS . . . . . 0.62 ' HB3' ' SG ' ' A' ' 414' ' ' CYS . 96.4 m -98.94 118.28 35.36 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.006 0.431 . . . . 0.0 110.552 -178.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 59.8 t -120.87 125.26 73.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.832 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 407' ' ' PHE . . . . . 0.575 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 26.2 t80 -66.26 123.03 18.83 Favored 'General case' 0 N--CA 1.44 -0.928 0 CA-C-O 121.051 0.453 . . . . 0.0 109.785 177.266 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -99.74 112.98 25.18 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.364 -179.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 21.3 p -71.61 -12.22 61.24 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.624 -174.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -73.53 -60.01 2.45 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 92.0 p -83.74 -12.93 55.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.79 0.329 . . . . 0.0 110.359 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 6.8 t30 61.62 69.39 0.65 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.881 -178.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 413' ' ' LYS . . . . . 0.573 ' HA ' ' HA ' ' A' ' 392' ' ' ASP . 26.0 pttm -174.79 165.89 3.66 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.235 173.219 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 414' ' ' CYS . . . . . 0.62 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 36.6 t -83.19 117.71 23.1 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.03 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -122.47 154.66 37.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.929 0.395 . . . . 0.0 110.861 -176.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.432 ' HG ' ' H ' ' A' ' 418' ' ' LYS . 60.6 tp . . . . . 0 C--N 1.324 -0.53 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 176.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 418' ' ' LYS . . . . . 0.474 ' O ' ' HB2' ' A' ' 422' ' ' GLU . 38.8 mtpt . . . . . 0 CA--C 1.516 -0.351 0 CA-C-O 121.042 0.449 . . . . 0.0 110.576 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 419' ' ' ASP . . . . . 0.428 ' O ' ' HE3' ' A' ' 423' ' ' LYS . 21.7 t70 -81.31 -43.34 19.24 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.84 -178.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 58.5 t -56.85 -52.78 50.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.965 176.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 56.2 mttm -64.91 -30.63 71.64 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.667 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 422' ' ' GLU . . . . . 0.474 ' HB2' ' O ' ' A' ' 418' ' ' LYS . 6.2 tp10 -64.35 -48.62 74.83 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 120.814 -0.355 . . . . 0.0 110.591 -179.177 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 423' ' ' LYS . . . . . 0.428 ' HE3' ' O ' ' A' ' 419' ' ' ASP . 0.0 OUTLIER -83.25 -22.79 32.97 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.824 0.345 . . . . 0.0 111.639 -178.533 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 8.2 tt -82.51 -63.21 1.42 Allowed 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 178.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.563 -177.087 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 379' ' ' SER . . . . . 0.42 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 62.6 p . . . . . 0 C--O 1.226 -0.163 0 CA-C-O 120.36 0.124 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -53.2 -51.54 61.77 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.828 176.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -60.66 -53.6 55.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.843 179.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 382' ' ' ASN . . . . . 0.553 ' O ' HG13 ' A' ' 386' ' ' ILE . 14.4 m-80 -60.46 -50.8 72.14 Favored 'General case' 0 CA--C 1.509 -0.628 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.348 -176.328 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 383' ' ' LYS . . . . . 0.666 ' HB3' HD11 ' A' ' 416' ' ' LEU . 13.8 mptt -64.66 -41.44 96.1 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.847 -174.738 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -58.83 -46.57 87.37 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.657 173.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 30.9 mmtm -72.88 -18.5 61.42 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.543 -0.753 . . . . 0.0 112.603 -176.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 386' ' ' ILE . . . . . 0.553 HG13 ' O ' ' A' ' 382' ' ' ASN . 96.6 mt -72.96 -46.3 52.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 172.624 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 20.2 m -70.26 -40.18 74.55 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.071 177.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -69.12 -29.11 67.1 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.669 -178.452 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -62.63 -20.2 64.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.822 0.344 . . . . 0.0 111.306 174.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -82.28 -31.1 30.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.085 0.469 . . . . 0.0 109.77 179.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 57.1 mttm 60.8 -124.86 0.96 Allowed 'General case' 0 C--O 1.234 0.269 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.559 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -83.92 -16.55 43.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.554 -176.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -72.32 98.58 2.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.849 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 394' ' ' GLN . . . . . 0.491 ' O ' ' HG2' ' A' ' 398' ' ' GLU . 37.4 tt0 -69.98 -41.55 74.28 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.81 -178.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 59.6 mmtt -53.64 -49.55 67.66 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 123.197 0.311 . . . . 0.0 111.397 -179.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -58.19 -41.76 84.62 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-O 121.394 0.616 . . . . 0.0 110.279 178.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 397' ' ' CYS . . . . . 0.414 ' O ' ' HB2' ' A' ' 401' ' ' LYS . 44.0 t -63.08 -49.2 75.42 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.089 -0.959 . . . . 0.0 110.435 177.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 398' ' ' GLU . . . . . 0.491 ' HG2' ' O ' ' A' ' 394' ' ' GLN . 33.8 mm-40 -49.37 -32.49 11.55 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 123.477 0.486 . . . . 0.0 111.757 178.356 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -67.2 -56.04 11.54 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.901 0.381 . . . . 0.0 110.835 176.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . 0.443 HD11 HG21 ' A' ' 386' ' ' ILE . 2.9 pp -91.06 12.47 19.75 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.129 0.49 . . . . 0.0 111.772 -175.114 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . 0.58 ' HA ' ' HB2' ' A' ' 405' ' ' CYS . 69.5 tttt -68.06 -22.52 64.93 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.79 -171.197 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -66.27 -14.42 61.95 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.324 -176.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -81.93 -8.61 59.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.957 0.408 . . . . 0.0 110.791 178.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 118.13 48.58 0.39 Allowed Glycine 0 N--CA 1.443 -0.857 0 C-N-CA 120.421 -0.895 . . . . 0.0 113.065 176.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 405' ' ' CYS . . . . . 0.58 ' HB2' ' HA ' ' A' ' 401' ' ' LYS . 94.2 m -111.4 145.62 38.61 Favored 'General case' 0 C--N 1.319 -0.737 0 O-C-N 122.542 -0.387 . . . . 0.0 110.468 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 7.6 p -138.84 123.37 21.01 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 174.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 407' ' ' PHE . . . . . 0.658 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 16.7 t80 -74.22 113.09 11.02 Favored 'General case' 0 N--CA 1.439 -1.021 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 179.091 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -99.77 109.69 22.11 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.401 -175.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 15.6 p -67.93 -17.17 64.38 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.532 -176.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -76.43 -21.16 56.3 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.281 -178.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 15.3 m -114.29 -7.3 12.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.937 174.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 5.2 t30 55.01 59.52 3.99 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.122 -0.945 . . . . 0.0 110.624 -177.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 4.3 ptpp? -179.28 166.14 1.48 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.942 176.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 414' ' ' CYS . . . . . 0.658 ' HA ' ' HA ' ' A' ' 407' ' ' PHE . 0.5 OUTLIER -83.72 121.37 27.19 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.175 0.512 . . . . 0.0 111.074 178.261 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -116.34 171.85 7.57 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.988 178.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.666 HD11 ' HB3' ' A' ' 383' ' ' LYS . 38.2 tp . . . . . 0 C--N 1.325 -0.458 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.585 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 418' ' ' LYS . . . . . 0.466 ' H ' ' HG ' ' A' ' 416' ' ' LEU . 18.7 ttpp . . . . . 0 C--O 1.222 -0.342 0 CA-C-O 120.758 0.313 . . . . 0.0 110.603 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -65.96 -39.62 90.57 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.59 -177.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 50.0 t -59.51 -46.93 92.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.574 179.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 22.4 ttpp -70.98 -45.3 64.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.292 0.568 . . . . 0.0 110.526 179.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -55.53 -56.02 25.08 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.804 -1.089 . . . . 0.0 111.07 -178.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 423' ' ' LYS . . . . . 0.541 ' HZ3' ' HB2' ' A' ' 423' ' ' LYS . 4.8 ttmp? -67.4 -32.68 73.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.859 -177.367 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 55.5 tp -67.29 -45.08 77.62 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.264 179.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 . . . . . 0 C--N 1.324 -0.508 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.716 179.726 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 379' ' ' SER . . . . . 0.506 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 16.4 t . . . . . 0 N--CA 1.455 -0.215 0 CA-C-O 120.85 0.357 . . . . 0.0 110.7 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -64.5 -40.79 96.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.961 -178.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.21 -57.61 7.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.867 -176.25 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 382' ' ' ASN . . . . . 0.402 ' O ' HG13 ' A' ' 386' ' ' ILE . 2.7 p30 -65.9 -37.95 87.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.042 -174.271 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 383' ' ' LYS . . . . . 0.506 ' HB2' ' O ' ' A' ' 379' ' ' SER . 12.9 mptt -64.81 -47.07 79.37 Favored 'General case' 0 CA--C 1.519 -0.22 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.345 179.601 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 384' ' ' GLU . . . . . 0.433 ' OE1' ' HB2' ' A' ' 415' ' ' GLU . 8.2 mm-40 -52.09 -48.83 64.52 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.303 174.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.18 -46.26 79.44 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.709 -179.304 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 386' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 382' ' ' ASN . 81.7 mt -65.73 -44.27 93.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.342 0.592 . . . . 0.0 110.186 -178.21 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 63.5 m -64.76 -39.04 92.96 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.862 178.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.33 -21.91 62.86 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.763 -179.504 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -65.84 -19.1 65.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.422 177.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -81.99 -24.48 35.42 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.288 0.566 . . . . 0.0 109.503 177.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? 57.73 -105.86 0.28 Allowed 'General case' 0 C--O 1.232 0.175 0 CA-C-N 114.819 -1.082 . . . . 0.0 112.107 175.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -104.46 -13.91 15.89 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.779 -1.1 . . . . 0.0 111.128 -172.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -85.05 99.26 10.91 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.175 -175.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -59.12 -38.19 79.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.173 -177.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 395' ' ' LYS . . . . . 0.411 ' HD3' ' HA ' ' A' ' 395' ' ' LYS . 71.6 mmtt -61.92 -33.45 74.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.787 -0.188 . . . . 0.0 111.405 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 396' ' ' ALA . . . . . 0.457 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -67.76 -42.16 82.21 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.031 0.444 . . . . 0.0 109.934 175.716 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 38.4 t -60.45 -42.79 96.87 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.753 176.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -57.57 -37.4 73.08 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.414 177.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -65.52 -41.46 93.11 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.436 -178.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 1.5 pp -108.18 16.18 23.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.001 0.429 . . . . 0.0 111.512 -177.675 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . 0.598 ' HG2' ' O ' ' A' ' 405' ' ' CYS . 5.4 tmtt? -58.69 -29.62 66.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.223 -176.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -57.16 -36.25 70.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.602 -179.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.99 7.58 3.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.858 -173.02 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 404' ' ' GLY . . . . . 0.458 ' O ' HD11 ' A' ' 416' ' ' LEU . . . 108.9 8.92 27.22 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.838 175.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 405' ' ' CYS . . . . . 0.671 ' HB3' ' SG ' ' A' ' 414' ' ' CYS . 71.0 m -87.99 148.29 24.61 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-O 120.91 0.386 . . . . 0.0 110.696 -178.643 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 8.8 p -148.54 134.47 11.89 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 174.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 407' ' ' PHE . . . . . 0.514 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 29.4 t80 -89.18 127.16 35.72 Favored 'General case' 0 N--CA 1.439 -1.021 0 CA-C-O 121.063 0.459 . . . . 0.0 110.343 -178.19 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -100.07 108.81 21.06 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 175.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.02 -18.85 62.57 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -177.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -67.62 -66.35 0.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.51 178.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 27.0 m -74.81 -18.73 60.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.901 0.382 . . . . 0.0 110.606 177.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 7.3 t30 67.08 74.88 0.32 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.389 178.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -176.29 155.28 1.46 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.736 169.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 414' ' ' CYS . . . . . 0.671 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 52.2 t -91.36 132.94 35.86 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 176.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 415' ' ' GLU . . . . . 0.433 ' HB2' ' OE1' ' A' ' 384' ' ' GLU . 11.3 pt-20 -145.31 174.07 11.43 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.634 0.254 . . . . 0.0 110.758 -179.447 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.641 ' HB3' ' HE3' ' A' ' 418' ' ' LYS . 55.0 tp . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.394 179.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 418' ' ' LYS . . . . . 0.641 ' HE3' ' HB3' ' A' ' 416' ' ' LEU . 2.6 mptt . . . . . 0 CA--C 1.517 -0.326 0 CA-C-O 121.286 0.565 . . . . 0.0 109.742 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -59.73 -46.47 89.01 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.655 -1.157 . . . . 0.0 111.083 -177.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 95.8 t -70.77 -46.57 68.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.196 -178.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 19.5 ttpp -64.51 -41.73 96.24 Favored 'General case' 0 CA--C 1.52 -0.197 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.606 -177.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -61.93 -40.97 97.35 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.488 -177.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 40.7 tptt -77.41 -22.2 51.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.976 0.417 . . . . 0.0 111.423 -176.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 42.7 tp -92.88 -41.09 10.25 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.879 -177.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 . . . . . 0 C--N 1.325 -0.464 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.355 -177.914 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 379' ' ' SER . . . . . 0.444 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 36.5 m . . . . . 0 CA--C 1.52 -0.186 0 CA-C-O 120.792 0.329 . . . . 0.0 110.404 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -69.26 -37.2 77.81 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.778 0.323 . . . . 0.0 110.304 178.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -53.03 -60.15 3.64 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.624 -179.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 382' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -74.54 -34.29 62.95 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.135 -175.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 383' ' ' LYS . . . . . 0.612 ' HB3' HD11 ' A' ' 416' ' ' LEU . 5.7 mptp? -61.67 -54.31 44.44 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.151 178.562 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -54.16 -44.25 71.29 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.03 0.443 . . . . 0.0 110.608 176.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.26 -52.88 63.74 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.025 -179.661 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 386' ' ' ILE . . . . . . . . . . . . . 81.6 mt -67.31 -41.96 87.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.309 -175.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 387' ' ' CYS . . . . . 0.481 ' O ' ' HB3' ' A' ' 414' ' ' CYS . 74.0 m -62.32 -43.54 98.6 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.582 176.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -76.98 -20.04 56.58 Favored 'General case' 0 N--CA 1.463 0.225 0 C-N-CA 120.935 -0.306 . . . . 0.0 111.017 -176.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -68.55 -17.02 64.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.922 0.391 . . . . 0.0 111.051 177.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 390' ' ' ALA . . . . . 0.457 ' HB2' HD21 ' A' ' 400' ' ' LEU . . . -82.68 -24.81 33.53 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 177.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 391' ' ' LYS . . . . . 0.411 ' HB3' ' H ' ' A' ' 392' ' ' ASP . 31.6 mmtp 56.76 -145.58 0.6 Allowed 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.238 -0.892 . . . . 0.0 112.549 176.626 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 392' ' ' ASP . . . . . 0.411 ' H ' ' HB3' ' A' ' 391' ' ' LYS . 3.1 m-20 -74.7 -7.66 53.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.291 -175.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 45.9 t-20 -78.28 103.01 7.95 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -68.24 -37.71 81.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.087 -176.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -55.94 -52.14 65.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.013 0.435 . . . . 0.0 110.169 178.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 396' ' ' ALA . . . . . 0.401 ' O ' ' HB2' ' A' ' 399' ' ' ASN . . . -61.21 -35.71 77.93 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.904 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 397' ' ' CYS . . . . . 0.418 ' HB2' ' HB2' ' A' ' 414' ' ' CYS . 52.7 t -61.49 -50.01 74.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.261 176.264 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 398' ' ' GLU . . . . . 0.497 ' HA ' ' HB2' ' A' ' 401' ' ' LYS . 12.8 mm-40 -62.32 -22.23 65.9 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.395 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 399' ' ' ASN . . . . . 0.401 ' HB2' ' O ' ' A' ' 396' ' ' ALA . 20.4 m-80 -68.2 -52.96 28.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.044 0.45 . . . . 0.0 110.459 175.152 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . 0.457 HD21 ' HB2' ' A' ' 390' ' ' ALA . 2.0 pp -91.64 11.5 24.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.373 0.606 . . . . 0.0 110.796 -179.346 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . 0.497 ' HB2' ' HA ' ' A' ' 398' ' ' GLU . 4.2 tmtp? -54.57 -35.12 62.97 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.534 -178.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -66.77 -10.34 46.33 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.319 -177.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -95.28 15.77 18.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.919 0.39 . . . . 0.0 111.137 -179.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 91.6 22.04 32.55 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.766 174.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 405' ' ' CYS . . . . . 0.439 ' HB3' ' SG ' ' A' ' 414' ' ' CYS . 71.5 m -104.41 131.06 52.2 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.814 0.34 . . . . 0.0 110.404 179.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 79.6 t -128.98 115.8 38.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.328 -0.396 . . . . 0.0 109.956 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 407' ' ' PHE . . . . . 0.748 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 25.9 t80 -58.36 121.15 10.12 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.464 178.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 35.6 t30 -107.29 112.05 24.72 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.419 -179.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 7.8 p -70.47 -11.79 61.15 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.618 -175.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -72.43 -43.37 63.9 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.074 0.464 . . . . 0.0 110.387 176.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 9.4 p -91.72 -10.05 41.53 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.122 0.487 . . . . 0.0 109.978 175.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 4.9 t30 66.57 23.65 10.34 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.726 177.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -142.43 164.53 29.88 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.493 179.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 414' ' ' CYS . . . . . 0.748 ' HA ' ' HA ' ' A' ' 407' ' ' PHE . 17.5 t -67.95 115.1 7.08 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 174.315 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 415' ' ' GLU . . . . . 0.496 ' OE1' ' HG2' ' A' ' 421' ' ' LYS . 21.5 tt0 -113.26 160.76 17.97 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 -174.185 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.612 HD11 ' HB3' ' A' ' 383' ' ' LYS . 35.1 tp . . . . . 0 C--N 1.324 -0.528 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 172.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 418' ' ' LYS . . . . . 0.64 ' O ' ' HG2' ' A' ' 422' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.223 -0.314 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -49.27 -63.92 0.96 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.928 -177.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 90.4 t -71.98 -32.04 42.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.735 -178.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 421' ' ' LYS . . . . . 0.496 ' HG2' ' OE1' ' A' ' 415' ' ' GLU . 19.3 tptp -60.83 -48.4 81.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.002 -178.611 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 422' ' ' GLU . . . . . 0.64 ' HG2' ' O ' ' A' ' 418' ' ' LYS . 14.7 mm-40 -64.5 -44.88 89.52 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.006 178.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -62.96 -15.52 56.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.498 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 58.8 tp -87.63 -52.08 5.53 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.923 178.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 . . . . . 0 CA--C 1.535 0.389 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -172.328 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 379' ' ' SER . . . . . 0.474 ' O ' ' HD3' ' A' ' 383' ' ' LYS . 33.1 t . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.159 -0.311 . . . . 0.0 110.159 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -65.78 -39.58 91.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.888 -179.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -59.42 -55.51 33.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.776 -175.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 382' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.83 -35.19 76.67 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.835 -174.278 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 383' ' ' LYS . . . . . 0.475 ' HB3' HD12 ' A' ' 416' ' ' LEU . 6.1 mptp? -61.22 -53.63 54.46 Favored 'General case' 0 CA--C 1.521 -0.154 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 176.629 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -56.79 -42.37 79.35 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.949 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -60.6 -47.51 85.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.154 -179.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 386' ' ' ILE . . . . . 0.677 HD11 ' HD3' ' A' ' 403' ' ' LYS . 93.1 mt -64.51 -42.6 95.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.061 -177.567 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 61.4 m -62.65 -44.22 96.82 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.754 176.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.47 -17.77 61.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.279 -175.683 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -68.69 -13.64 62.5 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.876 0.37 . . . . 0.0 111.4 176.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -88.11 -18.45 28.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.12 0.486 . . . . 0.0 109.986 176.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 92.6 mttt 54.61 -106.23 0.31 Allowed 'General case' 0 C--O 1.235 0.305 0 CA-C-N 114.802 -1.09 . . . . 0.0 112.613 175.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -107.53 -4.64 18.18 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.182 -173.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -90.73 105.82 18.09 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.3 0.571 . . . . 0.0 110.852 -176.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 394' ' ' GLN . . . . . 0.422 ' HA ' ' CD2' ' A' ' 407' ' ' PHE . 64.9 tt0 -61.25 -41.82 97.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.208 -179.038 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -58.11 -47.56 82.89 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.51 -177.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 396' ' ' ALA . . . . . 0.411 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -64.45 -37.27 86.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.976 178.588 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 397' ' ' CYS . . . . . 0.474 ' SG ' ' HB2' ' A' ' 407' ' ' PHE . 41.9 t -61.16 -52.67 63.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.646 178.55 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 398' ' ' GLU . . . . . 0.417 ' HA ' ' HB2' ' A' ' 401' ' ' LYS . 63.2 mm-40 -60.76 -24.22 65.58 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.262 -178.703 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -66.84 -59.33 3.63 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.948 0.404 . . . . 0.0 110.607 174.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 2.1 pp -84.17 7.6 18.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.211 0.529 . . . . 0.0 111.311 -176.579 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . 0.537 ' HA ' ' HB2' ' A' ' 405' ' ' CYS . 83.1 tttt -61.4 -20.56 63.19 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.257 -0.883 . . . . 0.0 111.225 -178.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -59.76 -20.5 57.03 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.059 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 403' ' ' LYS . . . . . 0.677 ' HD3' HD11 ' A' ' 386' ' ' ILE . 99.7 mttt -89.63 5.24 46.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.361 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 99.84 55.41 1.0 Allowed Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.889 -0.672 . . . . 0.0 113.053 176.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 405' ' ' CYS . . . . . 0.537 ' HB2' ' HA ' ' A' ' 401' ' ' LYS . 79.6 m -124.65 172.2 9.46 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.837 0.351 . . . . 0.0 110.727 -179.349 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 7.4 p -158.67 125.75 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.058 173.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 407' ' ' PHE . . . . . 0.474 ' HB2' ' SG ' ' A' ' 397' ' ' CYS . 26.3 t80 -86.75 118.91 26.46 Favored 'General case' 0 N--CA 1.437 -1.103 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 174.545 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -99.68 110.63 23.03 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 1.3 p -66.56 -30.93 71.35 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 111.763 0.283 . . . . 0.0 111.763 -175.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 21.7 tp10 -58.65 -49.44 77.54 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.081 0.467 . . . . 0.0 110.662 176.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 10.4 m -81.54 -21.35 38.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.301 179.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 59.44 61.47 2.01 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.524 -177.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 23.3 pttp -168.88 154.18 6.18 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.347 175.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 414' ' ' CYS . . . . . 0.47 ' HA ' ' HA ' ' A' ' 407' ' ' PHE . 41.9 t -92.75 117.74 30.32 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 176.159 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -130.27 158.33 40.07 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.714 -173.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.475 HD12 ' HB3' ' A' ' 383' ' ' LYS . 39.3 tp . . . . . 0 C--N 1.323 -0.551 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 170.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 418' ' ' LYS . . . . . 0.44 ' H ' ' C ' ' A' ' 416' ' ' LEU . 3.7 ptmm? . . . . . 0 CA--C 1.518 -0.269 0 CA-C-O 120.95 0.405 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 419' ' ' ASP . . . . . 0.597 ' O ' ' HE3' ' A' ' 423' ' ' LYS . 14.4 p-10 -86.28 -36.23 19.46 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.695 -177.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 420' ' ' VAL . . . . . 0.433 ' O ' ' HB2' ' A' ' 424' ' ' LEU . 58.8 t -61.08 -43.63 96.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 172.518 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt -69.79 -32.56 71.11 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.641 178.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 422' ' ' GLU . . . . . 0.417 ' HB2' ' O ' ' A' ' 418' ' ' LYS . 32.7 tt0 -62.92 -49.46 74.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.993 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 423' ' ' LYS . . . . . 0.597 ' HE3' ' O ' ' A' ' 419' ' ' ASP . 0.0 OUTLIER -82.84 -2.03 53.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.934 177.769 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 424' ' ' LEU . . . . . 0.433 ' HB2' ' O ' ' A' ' 420' ' ' VAL . 9.2 tt -86.57 -48.81 8.03 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 174.248 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.104 176.957 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 379' ' ' SER . . . . . 0.495 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 16.4 m . . . . . 0 N--CA 1.452 -0.356 0 CA-C-O 120.889 0.376 . . . . 0.0 110.645 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -71.4 -40.96 70.17 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.466 178.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -65.13 -50.05 67.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.452 -176.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 382' ' ' ASN . . . . . 0.5 ' O ' HG13 ' A' ' 386' ' ' ILE . 1.7 p30 -68.79 -33.85 74.57 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 121.004 -0.278 . . . . 0.0 110.514 -177.133 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 383' ' ' LYS . . . . . 0.6 ' HB3' HD23 ' A' ' 416' ' ' LEU . 13.0 mptt -68.56 -43.02 77.5 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 178.115 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 384' ' ' GLU . . . . . 0.462 ' HA ' ' HB2' ' A' ' 416' ' ' LEU . 25.5 tt0 -64.0 -38.95 92.95 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.77 177.527 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 58.6 tptt -59.39 -33.52 71.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.789 0.328 . . . . 0.0 110.653 176.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 386' ' ' ILE . . . . . 0.5 HG13 ' O ' ' A' ' 382' ' ' ASN . 83.2 mt -62.73 -44.96 99.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.458 0.647 . . . . 0.0 109.34 176.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 30.8 m -71.08 -38.46 72.42 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.803 -1.089 . . . . 0.0 111.127 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -67.93 -23.73 65.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.703 0.287 . . . . 0.0 110.945 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -72.78 -1.78 17.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.023 0.44 . . . . 0.0 111.096 176.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -101.92 3.86 39.5 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 176.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 391' ' ' LYS . . . . . 0.447 ' HG3' ' H ' ' A' ' 393' ' ' ASN . 4.5 ptpp? 44.15 -151.86 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 114.871 -1.058 . . . . 0.0 113.079 177.119 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 392' ' ' ASP . . . . . 0.631 ' HA ' ' HA ' ' A' ' 413' ' ' LYS . 5.2 p-10 -85.76 6.09 29.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.146 0.498 . . . . 0.0 110.097 178.344 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 393' ' ' ASN . . . . . 0.447 ' H ' ' HG3' ' A' ' 391' ' ' LYS . 19.1 t-20 -80.51 110.23 15.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.862 178.197 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -68.63 -34.06 75.09 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.634 -174.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -58.76 -45.32 90.01 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 177.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 396' ' ' ALA . . . . . 0.445 ' HA ' ' ND2' ' A' ' 399' ' ' ASN . . . -60.04 -44.68 94.5 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.298 176.422 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 9.5 t -59.55 -42.09 91.61 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.194 178.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 398' ' ' GLU . . . . . 0.723 ' HA ' ' HB2' ' A' ' 401' ' ' LYS . 49.3 mm-40 -61.76 -30.82 71.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.131 177.573 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 399' ' ' ASN . . . . . 0.445 ' ND2' ' HA ' ' A' ' 396' ' ' ALA . 89.9 m-20 -63.68 -37.13 86.17 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.033 0.444 . . . . 0.0 110.685 178.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . 0.52 HD11 ' SG ' ' A' ' 405' ' ' CYS . 0.2 OUTLIER -114.44 21.58 14.46 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.344 0.592 . . . . 0.0 111.367 178.497 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . 0.723 ' HB2' ' HA ' ' A' ' 398' ' ' GLU . 20.9 tptm -58.51 -47.65 83.44 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.252 -0.886 . . . . 0.0 111.367 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.51 1.25 17.16 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.462 -175.497 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -97.97 6.21 47.95 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.753 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 113.56 -2.23 24.84 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.683 175.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 405' ' ' CYS . . . . . 0.52 ' SG ' HD11 ' A' ' 400' ' ' LEU . 66.7 m -94.34 140.87 29.24 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.853 0.358 . . . . 0.0 111.064 -177.286 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 8.1 p -132.98 149.37 31.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 178.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 407' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -81.83 133.93 35.37 Favored 'General case' 0 N--CA 1.441 -0.916 0 C-N-CA 120.379 -0.528 . . . . 0.0 110.277 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -98.68 107.18 19.56 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.191 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 14.6 p -82.56 -8.11 59.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.927 0.394 . . . . 0.0 111.561 -177.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -87.62 -51.09 6.09 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.895 -177.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 5.7 m -92.92 -16.02 25.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.745 179.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 12.1 t30 67.74 82.04 0.18 Allowed 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.014 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 413' ' ' LYS . . . . . 0.631 ' HA ' ' HA ' ' A' ' 392' ' ' ASP . 22.5 pttp 177.69 162.1 0.55 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.256 177.617 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 414' ' ' CYS . . . . . . . . . . . . . 40.3 t -83.1 132.18 35.11 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 172.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 62.2 tt0 -139.49 148.36 42.58 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.59 -173.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.6 HD23 ' HB3' ' A' ' 383' ' ' LYS . 25.7 tp . . . . . 0 C--N 1.322 -0.626 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 173.104 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 418' ' ' LYS . . . . . 0.51 ' O ' ' HB2' ' A' ' 422' ' ' GLU . 7.3 ptpt . . . . . 0 N--CA 1.451 -0.405 0 CA-C-O 120.605 0.24 . . . . 0.0 111.08 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -70.52 -43.17 70.18 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.495 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 58.5 t -69.94 -43.06 79.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.699 177.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -58.51 -42.61 88.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.299 177.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 422' ' ' GLU . . . . . 0.51 ' HB2' ' O ' ' A' ' 418' ' ' LYS . 4.0 tp10 -66.7 -34.64 78.31 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.85 -174.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 32.8 mtmm -71.16 -32.21 68.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.922 0.392 . . . . 0.0 111.032 179.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 95.3 mt -75.6 -42.93 50.56 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.097 0.475 . . . . 0.0 110.224 178.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 . . . . . 0 C--N 1.325 -0.488 0 CA-C-N 115.415 -0.812 . . . . 0.0 111.913 -179.081 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 379' ' ' SER . . . . . 0.429 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 18.2 m . . . . . 0 N--CA 1.456 -0.168 0 CA-C-O 120.937 0.398 . . . . 0.0 110.47 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -67.24 -44.3 79.79 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.321 178.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -59.24 -53.09 62.25 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.197 -173.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 382' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -80.65 -30.9 36.59 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.739 -0.385 . . . . 0.0 111.352 -172.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 383' ' ' LYS . . . . . 0.61 ' HB3' HD12 ' A' ' 416' ' ' LEU . 6.5 mptp? -68.84 -38.19 79.66 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 175.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 384' ' ' GLU . . . . . 0.402 ' HA ' ' HB2' ' A' ' 416' ' ' LEU . 40.0 tt0 -57.25 -42.44 81.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.267 -0.878 . . . . 0.0 109.908 173.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -60.74 -35.49 76.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.932 178.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 386' ' ' ILE . . . . . . . . . . . . . 83.6 mt -65.32 -45.0 94.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.331 0.586 . . . . 0.0 109.596 178.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 31.7 m -66.61 -37.91 85.86 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.316 177.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -66.64 -25.88 66.79 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.734 178.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -68.07 -19.47 64.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.233 176.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -89.8 -25.45 21.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.115 178.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt 57.77 -132.86 1.24 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.702 176.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 392' ' ' ASP . . . . . 0.541 ' HA ' ' HA ' ' A' ' 413' ' ' LYS . 6.8 m-20 -89.73 13.11 15.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.044 -176.262 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -94.24 106.13 18.11 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.007 0.432 . . . . 0.0 110.254 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -67.91 -37.74 82.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.235 -176.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 395' ' ' LYS . . . . . 0.949 ' HA ' ' HE2' ' A' ' 395' ' ' LYS . 6.7 mmpt? -54.69 -47.84 73.17 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 123.138 0.273 . . . . 0.0 111.057 177.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 396' ' ' ALA . . . . . 0.611 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -61.7 -42.31 98.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.839 0.352 . . . . 0.0 110.474 177.321 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 397' ' ' CYS . . . . . 0.508 ' HA ' HD12 ' A' ' 400' ' ' LEU . 25.9 t -60.55 -46.42 90.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.432 178.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -56.34 -35.81 68.04 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.978 177.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -70.8 -38.47 73.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.228 -179.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . 0.611 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 1.3 pp -105.25 20.88 18.12 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.95 0.405 . . . . 0.0 111.43 -179.274 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -52.14 -38.46 57.62 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.759 173.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -62.57 -18.09 61.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.774 -179.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 403' ' ' LYS . . . . . 0.517 ' HD2' ' HB2' ' A' ' 400' ' ' LEU . 93.9 mttt -90.35 6.03 44.84 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.967 0.413 . . . . 0.0 110.805 -177.364 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 94.45 13.92 52.32 Favored Glycine 0 C--N 1.33 0.234 0 C-N-CA 120.936 -0.65 . . . . 0.0 113.133 174.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 405' ' ' CYS . . . . . 0.657 ' HB3' ' SG ' ' A' ' 414' ' ' CYS . 82.5 m -91.53 131.87 36.66 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.883 0.373 . . . . 0.0 110.857 -179.151 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 7.6 p -121.92 135.64 61.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.521 178.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 407' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -90.46 126.93 36.06 Favored 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 177.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 408' ' ' ASN . . . . . 0.495 ' HB3' ' HB2' ' A' ' 411' ' ' SER . 4.5 t-20 -107.1 133.07 52.26 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 177.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 7.7 p -73.3 -28.16 61.95 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.564 0.221 . . . . 0.0 111.428 -179.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -76.12 -49.97 15.92 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 178.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 411' ' ' SER . . . . . 0.495 ' HB2' ' HB3' ' A' ' 408' ' ' ASN . 49.3 m -62.38 -29.31 70.38 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.435 173.222 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 7.4 t30 71.72 9.44 6.27 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.188 178.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 413' ' ' LYS . . . . . 0.709 ' HB3' ' HZ3' ' A' ' 413' ' ' LYS . 1.0 OUTLIER -139.4 170.82 15.24 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.501 -176.141 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 414' ' ' CYS . . . . . 0.657 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 42.6 t -94.74 124.55 38.85 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.922 177.03 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -132.51 166.97 20.84 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 178.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.61 HD12 ' HB3' ' A' ' 383' ' ' LYS . 44.6 tp . . . . . 0 C--N 1.321 -0.64 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 -178.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 418' ' ' LYS . . . . . 0.571 ' H ' ' C ' ' A' ' 416' ' ' LEU . 21.6 pttp . . . . . 0 N--CA 1.454 -0.238 0 CA-C-O 121.31 0.576 . . . . 0.0 110.129 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -82.6 -28.99 30.47 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.119 179.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 76.4 t -67.43 -46.82 82.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 173.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 18.7 ttmm -62.32 -38.57 89.93 Favored 'General case' 0 C--O 1.22 -0.48 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.377 173.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -59.82 -36.18 76.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 120.972 0.415 . . . . 0.0 110.38 179.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -91.62 -7.84 48.93 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.22 -178.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -99.8 -45.27 5.79 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.223 0.535 . . . . 0.0 109.742 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 . . . . . 0 C--N 1.324 -0.519 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.397 -179.336 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 379' ' ' SER . . . . . 0.611 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 4.3 m . . . . . 0 CA--C 1.531 0.232 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -49.85 -50.02 47.0 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -176.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -74.34 -52.01 13.45 Favored 'General case' 0 CA--C 1.517 -0.324 0 C-N-CA 120.172 -0.611 . . . . 0.0 110.437 -172.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 382' ' ' ASN . . . . . 0.509 ' HA ' ' HB3' ' A' ' 385' ' ' LYS . 1.1 p30 -67.22 -25.28 66.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.827 -175.13 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 383' ' ' LYS . . . . . 0.724 ' HB3' HD22 ' A' ' 416' ' ' LEU . 3.2 tptm -67.26 -50.76 59.28 Favored 'General case' 0 CA--C 1.509 -0.633 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 179.092 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -64.59 -36.24 83.58 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.934 176.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 385' ' ' LYS . . . . . 0.509 ' HB3' ' HA ' ' A' ' 382' ' ' ASN . 56.8 tptt -61.8 -37.88 86.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.907 177.456 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 386' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 382' ' ' ASN . 39.1 mt -66.64 -42.39 89.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.22 0.533 . . . . 0.0 109.94 179.109 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 27.8 m -64.44 -40.18 95.24 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.845 174.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.99 -15.26 62.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.357 179.442 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -72.82 -20.15 61.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.965 0.412 . . . . 0.0 110.412 174.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 390' ' ' ALA . . . . . 0.681 ' HB1' HD23 ' A' ' 400' ' ' LEU . . . -86.38 -16.29 37.76 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 175.45 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 94.9 mttt 58.31 -128.51 1.45 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 114.603 -1.18 . . . . 0.0 111.416 174.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -98.74 15.79 24.22 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.822 0.344 . . . . 0.0 111.163 -175.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -90.43 109.63 20.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.272 0.558 . . . . 0.0 110.342 176.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 394' ' ' GLN . . . . . 0.572 ' HA ' ' CD1' ' A' ' 407' ' ' PHE . 23.6 tt0 -63.77 -45.04 91.55 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.414 -176.656 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 13.3 tppt? -69.82 -36.74 75.87 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.293 -175.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 396' ' ' ALA . . . . . 0.425 ' HA ' ' ND2' ' A' ' 399' ' ' ASN . . . -64.76 -35.02 79.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.243 0.544 . . . . 0.0 110.236 176.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 37.7 t -61.73 -45.92 91.86 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.141 177.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -62.53 -27.63 69.29 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.204 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 399' ' ' ASN . . . . . 0.425 ' ND2' ' HA ' ' A' ' 396' ' ' ALA . 82.5 m-20 -66.57 -45.4 79.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.988 0.423 . . . . 0.0 110.511 177.36 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . 0.681 HD23 ' HB1' ' A' ' 390' ' ' ALA . 1.9 pp -102.09 16.38 26.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.726 -177.395 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' A' ' 405' ' ' CYS . 82.1 tttt -57.59 -17.74 15.92 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.712 177.558 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -55.89 -22.9 28.18 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.843 178.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 403' ' ' LYS . . . . . 0.455 ' HD2' ' N ' ' A' ' 403' ' ' LYS . 0.5 OUTLIER -90.93 2.53 56.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.759 0.314 . . . . 0.0 110.913 -179.704 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 404' ' ' GLY . . . . . 0.41 ' O ' HD13 ' A' ' 416' ' ' LEU . . . 99.7 24.93 9.54 Favored Glycine 0 C--O 1.236 0.243 0 N-CA-C 111.565 -0.614 . . . . 0.0 111.565 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 405' ' ' CYS . . . . . 0.538 ' HB3' ' SG ' ' A' ' 414' ' ' CYS . 80.0 m -98.72 118.87 36.44 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.028 0.442 . . . . 0.0 111.021 -170.778 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 406' ' ' VAL . . . . . 0.617 ' HB ' ' HB2' ' A' ' 418' ' ' LYS . 10.0 p -126.34 143.11 40.94 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 177.308 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 407' ' ' PHE . . . . . 0.572 ' CD1' ' HA ' ' A' ' 394' ' ' GLN . 22.7 t80 -68.09 123.79 21.65 Favored 'General case' 0 N--CA 1.439 -1.018 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.405 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -98.94 97.43 8.6 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.608 -0.723 . . . . 0.0 109.234 -177.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 1.2 p -61.45 -23.5 65.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.761 -176.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -55.06 -44.41 74.73 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.971 177.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 22.6 t -112.8 -6.9 13.81 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.826 -177.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 7.1 t30 61.01 58.24 2.33 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.66 -177.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 25.7 pttm -163.16 159.59 23.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.873 174.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 414' ' ' CYS . . . . . 0.538 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 51.9 t -79.54 127.05 31.66 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.519 0.2 . . . . 0.0 110.472 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -138.96 159.23 42.64 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 121.173 0.511 . . . . 0.0 111.32 -177.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.724 HD22 ' HB3' ' A' ' 383' ' ' LYS . 35.8 tp . . . . . 0 C--N 1.326 -0.431 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 174.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 418' ' ' LYS . . . . . 0.617 ' HB2' ' HB ' ' A' ' 406' ' ' VAL . 12.2 tmtt? . . . . . 0 N--CA 1.451 -0.409 0 CA-C-O 121.453 0.644 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -91.85 -48.53 6.73 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.664 -170.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 31.6 t -67.1 -37.71 79.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.311 179.141 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -67.59 -47.96 68.23 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.968 -178.002 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -62.66 -34.92 78.09 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.912 -177.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -62.66 -43.74 98.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.196 0.522 . . . . 0.0 110.417 179.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 54.4 tp -79.34 -26.72 42.09 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.421 179.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 . . . . . 0 C--N 1.326 -0.427 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.666 176.244 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 379' ' ' SER . . . . . 0.453 ' HA ' ' ND2' ' A' ' 382' ' ' ASN . 15.1 t . . . . . 0 CA--C 1.528 0.114 0 CA-C-O 120.628 0.251 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -69.08 -44.18 73.05 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.013 0.435 . . . . 0.0 111.335 -177.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -80.81 -31.67 35.53 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.183 -0.462 . . . . 0.0 112.219 -173.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 382' ' ' ASN . . . . . 0.453 ' ND2' ' HA ' ' A' ' 379' ' ' SER . 0.5 OUTLIER -75.29 -24.83 57.58 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.377 -0.529 . . . . 0.0 109.603 177.391 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 383' ' ' LYS . . . . . 0.479 ' HB3' HD23 ' A' ' 416' ' ' LEU . 0.1 OUTLIER -64.63 -48.41 74.96 Favored 'General case' 0 CA--C 1.514 -0.416 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 175.6 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -52.56 -49.96 63.9 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.292 174.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -56.64 -43.81 80.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.157 -179.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 386' ' ' ILE . . . . . 0.43 ' CG2' HD11 ' A' ' 400' ' ' LEU . 68.3 mt -67.49 -45.79 84.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.117 0.484 . . . . 0.0 110.122 -179.664 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 72.9 m -62.64 -37.49 86.57 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.134 179.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -80.08 -24.4 40.64 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.634 -178.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -73.39 -8.82 57.48 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.996 0.427 . . . . 0.0 110.856 175.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 390' ' ' ALA . . . . . 0.458 ' HB1' HD12 ' A' ' 400' ' ' LEU . . . -86.25 -20.98 27.67 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 177.123 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp 61.57 -151.94 0.38 Allowed 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.565 173.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -88.86 10.32 21.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.425 0.631 . . . . 0.0 109.89 176.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -84.22 97.65 9.51 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 177.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 394' ' ' GLN . . . . . 0.45 ' O ' ' HG2' ' A' ' 398' ' ' GLU . 50.0 tt0 -57.39 -40.38 78.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.629 -174.537 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -49.96 -49.78 49.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.829 0.347 . . . . 0.0 111.074 178.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -64.02 -39.78 94.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.966 0.412 . . . . 0.0 110.589 179.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 18.7 t -63.82 -43.08 97.3 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.397 179.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 398' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' A' ' 394' ' ' GLN . 17.0 mm-40 -58.28 -34.14 70.2 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.028 178.092 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 18.8 m-80 -71.0 -34.05 71.0 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.172 178.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . 0.458 HD12 ' HB1' ' A' ' 390' ' ' ALA . 30.2 mt -103.65 10.73 36.71 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.627 -177.03 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . 0.524 ' HA ' ' O ' ' A' ' 405' ' ' CYS . 16.7 tptm -50.12 -53.96 23.87 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.952 -1.022 . . . . 0.0 112.35 -175.304 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -80.72 10.47 4.86 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.953 0.406 . . . . 0.0 112.03 -173.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 61.2 mttm -92.32 -5.88 51.36 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.224 0.535 . . . . 0.0 109.592 171.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 404' ' ' GLY . . . . . 0.531 ' HA2' ' HB3' ' A' ' 418' ' ' LYS . . . 115.24 -5.93 21.51 Favored Glycine 0 N--CA 1.445 -0.754 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 -178.388 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 405' ' ' CYS . . . . . 0.548 ' HB3' ' SG ' ' A' ' 414' ' ' CYS . 56.8 m -82.8 111.71 18.96 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.122 -0.539 . . . . 0.0 110.316 -178.178 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 7.2 p -122.2 134.15 66.32 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.696 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 407' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -72.74 123.36 23.15 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.114 -179.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -104.39 112.59 25.69 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.653 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 11.4 p -70.26 -22.4 62.88 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.526 -176.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -69.26 -36.94 77.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.949 -175.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 23.2 m -110.72 1.56 17.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.846 179.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 10.6 t30 50.04 73.7 0.25 Allowed 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.231 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -173.86 165.39 4.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.695 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 414' ' ' CYS . . . . . 0.548 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 37.9 t -90.92 131.14 36.72 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 170.315 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -138.44 150.81 46.86 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.714 0.292 . . . . 0.0 110.495 -175.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.479 HD23 ' HB3' ' A' ' 383' ' ' LYS . 50.4 tp . . . . . 0 C--N 1.327 -0.392 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 173.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 418' ' ' LYS . . . . . 0.558 ' O ' ' HE2' ' A' ' 418' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.226 -0.157 0 CA-C-O 121.657 0.741 . . . . 0.0 109.94 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -81.08 -40.62 23.84 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 115.241 -0.891 . . . . 0.0 109.99 -177.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 54.7 t -61.33 -47.44 93.44 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.115 177.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 421' ' ' LYS . . . . . 0.61 ' O ' ' HG2' ' A' ' 425' ' ' GLU . 60.0 tttm -60.64 -42.62 97.3 Favored 'General case' 0 C--O 1.208 -1.102 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.672 177.216 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -54.29 -43.07 70.75 Favored 'General case' 0 C--O 1.244 0.79 0 O-C-N 123.642 0.589 . . . . 0.0 110.921 -179.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 50.4 mmtm -56.69 -42.84 79.8 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.429 177.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 48.3 tp -81.29 -30.57 33.93 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.402 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 425' ' ' GLU . . . . . 0.61 ' HG2' ' O ' ' A' ' 421' ' ' LYS . 13.9 mm-40 . . . . . 0 C--O 1.234 0.28 0 C-N-CA 123.182 0.593 . . . . 0.0 110.94 -179.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 379' ' ' SER . . . . . 0.665 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 24.6 m . . . . . 0 N--CA 1.449 -0.521 0 N-CA-C 111.526 0.195 . . . . 0.0 111.526 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -73.41 -41.37 63.38 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.958 0.408 . . . . 0.0 111.572 -176.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -73.11 -46.77 49.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.058 -175.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 382' ' ' ASN . . . . . 0.548 ' O ' HG13 ' A' ' 386' ' ' ILE . 0.3 OUTLIER -68.95 -27.12 65.44 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.284 179.871 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 383' ' ' LYS . . . . . 0.665 ' HB2' ' O ' ' A' ' 379' ' ' SER . 2.2 tptm -66.63 -47.92 71.06 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 179.763 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -56.89 -37.34 71.26 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.215 175.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 23.9 tptp -70.99 -32.73 69.65 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.841 -179.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 386' ' ' ILE . . . . . 0.548 HG13 ' O ' ' A' ' 382' ' ' ASN . 79.0 mt -62.08 -42.29 94.45 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.285 0 CA-C-O 121.504 0.668 . . . . 0.0 109.252 176.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 14.6 m -69.46 -43.41 73.32 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 114.833 -1.076 . . . . 0.0 110.189 178.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -70.79 -14.52 62.45 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.489 -178.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -69.34 -22.97 63.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.911 0.386 . . . . 0.0 110.513 173.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 390' ' ' ALA . . . . . 0.682 ' HB2' HD21 ' A' ' 400' ' ' LEU . . . -87.76 -13.63 41.83 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 175.639 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 391' ' ' LYS . . . . . 0.403 ' HZ2' ' HB3' ' A' ' 391' ' ' LYS . 7.8 mtpm? 63.68 -97.01 0.06 Allowed 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 114.397 -1.274 . . . . 0.0 111.983 173.557 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -137.12 21.86 3.01 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.205 0.526 . . . . 0.0 110.102 -177.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -88.43 104.45 16.8 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.996 174.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 394' ' ' GLN . . . . . 0.503 ' O ' ' HG2' ' A' ' 398' ' ' GLU . 35.0 tt0 -57.88 -46.46 84.85 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.265 -179.389 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -61.45 -44.76 96.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.794 -176.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 396' ' ' ALA . . . . . 0.573 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -65.99 -36.83 84.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.52 178.626 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 397' ' ' CYS . . . . . 0.403 ' HA ' HD13 ' A' ' 400' ' ' LEU . 26.5 t -65.43 -44.83 86.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.607 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 398' ' ' GLU . . . . . 0.503 ' HG2' ' O ' ' A' ' 394' ' ' GLN . 30.4 mm-40 -53.94 -39.23 65.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.643 176.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -64.49 -52.6 57.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.464 179.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . 0.682 HD21 ' HB2' ' A' ' 390' ' ' ALA . 2.1 pp -90.85 14.54 13.37 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.804 0.335 . . . . 0.0 111.842 -175.574 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' A' ' 405' ' ' CYS . 38.9 ttmt -62.47 -19.68 63.78 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.273 0.559 . . . . 0.0 110.486 176.083 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -56.07 -26.24 48.51 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.86 176.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 403' ' ' LYS . . . . . 0.481 ' HD2' ' N ' ' A' ' 403' ' ' LYS . 0.1 OUTLIER -90.5 8.86 31.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.533 -178.462 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 404' ' ' GLY . . . . . 0.437 ' O ' HD13 ' A' ' 416' ' ' LEU . . . 89.79 36.34 7.35 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 121.133 -0.556 . . . . 0.0 112.143 178.484 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 405' ' ' CYS . . . . . 0.425 ' O ' ' HG3' ' A' ' 401' ' ' LYS . 91.7 m -115.76 111.1 20.04 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.052 0.453 . . . . 0.0 110.765 -174.312 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 14.6 p -110.35 142.36 23.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 -179.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 407' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -71.79 117.4 13.33 Favored 'General case' 0 N--CA 1.436 -1.144 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 174.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 408' ' ' ASN . . . . . 0.404 ' ND2' ' HB2' ' A' ' 410' ' ' GLU . 6.7 t30 -99.69 91.62 4.95 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 114.939 -1.028 . . . . 0.0 109.255 -170.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 12.0 p -67.76 -9.61 45.46 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -172.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 410' ' ' GLU . . . . . 0.404 ' HB2' ' ND2' ' A' ' 408' ' ' ASN . 30.7 mm-40 -59.01 -38.26 78.83 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.189 0.519 . . . . 0.0 109.955 174.32 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 5.8 p -123.65 -0.82 8.56 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.896 179.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 4.8 t30 60.45 57.81 2.71 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.139 178.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -141.55 168.78 18.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.423 176.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 414' ' ' CYS . . . . . . . . . . . . . 42.0 t -92.38 119.39 31.88 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 167.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -143.96 174.82 10.51 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.226 -174.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.437 HD13 ' O ' ' A' ' 404' ' ' GLY . 37.6 tp . . . . . 0 C--N 1.323 -0.555 0 CA-C-O 120.929 0.395 . . . . 0.0 110.798 -174.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 418' ' ' LYS . . . . . 0.402 ' HE2' ' HB2' ' A' ' 418' ' ' LYS . 23.6 mtmm . . . . . 0 CA--C 1.517 -0.323 0 CA-C-O 121.212 0.529 . . . . 0.0 110.574 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 419' ' ' ASP . . . . . 0.627 ' O ' ' HG2' ' A' ' 423' ' ' LYS . 1.2 t70 -56.31 -54.89 40.11 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.998 173.576 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 86.2 t -61.86 -38.9 81.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.762 0.315 . . . . 0.0 110.535 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 421' ' ' LYS . . . . . 0.403 ' C ' ' HD3' ' A' ' 421' ' ' LYS . 0.8 OUTLIER -55.78 -43.83 77.16 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 174.922 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -76.59 -18.03 58.87 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.243 -0.889 . . . . 0.0 111.068 -176.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 423' ' ' LYS . . . . . 0.627 ' HG2' ' O ' ' A' ' 419' ' ' ASP . 11.5 mmpt? -81.49 -40.91 22.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.409 0.623 . . . . 0.0 109.717 175.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 8.6 tt -66.51 -51.42 56.81 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.948 -1.024 . . . . 0.0 110.316 -178.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 . . . . . 0 C--N 1.321 -0.643 0 CA-C-O 121.046 0.451 . . . . 0.0 109.878 -179.961 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 379' ' ' SER . . . . . 0.633 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 40.8 m . . . . . 0 N--CA 1.451 -0.382 0 CA-C-O 120.557 0.218 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -68.95 -43.38 75.14 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.448 179.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -68.02 -51.33 48.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.683 -0.235 . . . . 0.0 111.305 -175.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 382' ' ' ASN . . . . . 0.616 ' O ' HG13 ' A' ' 386' ' ' ILE . 1.5 p30 -66.29 -33.52 75.92 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.313 -176.467 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 383' ' ' LYS . . . . . 0.769 ' HE3' ' HB3' ' A' ' 403' ' ' LYS . 12.9 mptt -66.85 -46.72 74.18 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 179.357 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -57.17 -47.11 82.04 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.003 -0.998 . . . . 0.0 109.817 174.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 385' ' ' LYS . . . . . 0.42 ' HD2' ' HA ' ' A' ' 385' ' ' LYS . 37.7 tptt -63.17 -30.54 71.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.486 -177.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 386' ' ' ILE . . . . . 0.616 HG13 ' O ' ' A' ' 382' ' ' ASN . 88.2 mt -67.18 -39.37 82.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.263 0.554 . . . . 0.0 109.8 178.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 61.8 m -69.91 -38.44 76.29 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.346 176.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -67.95 -25.4 65.44 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.628 178.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -72.19 -30.02 64.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.048 176.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 390' ' ' ALA . . . . . 0.4 ' HB1' ' SG ' ' A' ' 397' ' ' CYS . . . -82.23 -38.17 24.91 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.362 -179.489 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 59.3 mttm 70.36 -93.87 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.782 -1.099 . . . . 0.0 112.248 173.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -112.77 10.31 19.2 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -173.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -88.66 85.17 6.75 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.023 179.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -55.4 -43.12 74.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.503 -0.772 . . . . 0.0 111.389 -177.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -53.89 -52.82 59.28 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.169 -178.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 396' ' ' ALA . . . . . 0.659 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -70.87 -29.65 65.81 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.707 0.289 . . . . 0.0 111.043 -174.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 397' ' ' CYS . . . . . 0.522 ' HA ' HD13 ' A' ' 400' ' ' LEU . 77.8 m -72.84 -39.87 66.2 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.097 0.475 . . . . 0.0 111.031 -179.663 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 398' ' ' GLU . . . . . 0.418 ' HA ' ' HB2' ' A' ' 401' ' ' LYS . 37.5 mm-40 -73.44 -11.56 60.51 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.949 0.404 . . . . 0.0 110.121 174.698 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 399' ' ' ASN . . . . . 0.454 ' HB2' ' O ' ' A' ' 396' ' ' ALA . 1.1 m-80 -77.47 -55.13 5.64 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.946 0.403 . . . . 0.0 110.293 170.293 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . 0.659 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 1.4 pp -81.26 11.55 4.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.149 0.5 . . . . 0.0 110.857 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . 0.616 ' HG3' ' O ' ' A' ' 405' ' ' CYS . 29.4 tttp -56.28 -23.61 37.63 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.458 171.267 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -53.83 -32.67 53.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.394 173.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 403' ' ' LYS . . . . . 0.769 ' HB3' ' HE3' ' A' ' 383' ' ' LYS . 92.7 mttt -87.72 -0.82 57.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.053 -177.662 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 93.38 58.03 1.32 Allowed Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.991 -0.623 . . . . 0.0 112.619 179.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 405' ' ' CYS . . . . . 0.616 ' O ' ' HG3' ' A' ' 401' ' ' LYS . 36.8 t -127.27 156.09 42.47 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 -178.656 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 7.6 p -144.93 128.3 11.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 120.96 0.41 . . . . 0.0 111.081 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 407' ' ' PHE . . . . . 0.697 ' HD2' ' SG ' ' A' ' 414' ' ' CYS . 43.0 t80 -83.48 125.39 31.68 Favored 'General case' 0 N--CA 1.438 -1.067 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 171.56 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -102.14 106.31 17.15 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 178.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 2.7 p -66.11 -20.9 66.3 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.919 -175.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -65.18 -50.64 65.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.125 0.488 . . . . 0.0 110.007 177.146 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 12.9 m -85.39 -15.26 43.7 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.222 0.534 . . . . 0.0 110.23 178.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 3.8 t30 61.67 41.39 12.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.515 -178.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -152.3 155.73 38.25 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.366 175.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 414' ' ' CYS . . . . . 0.697 ' SG ' ' HD2' ' A' ' 407' ' ' PHE . 8.9 m -82.03 141.99 32.74 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.535 177.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -141.62 168.48 19.67 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 178.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.638 HD11 ' HB3' ' A' ' 383' ' ' LYS . 29.5 tp . . . . . 0 C--N 1.325 -0.477 0 CA-C-O 121.19 0.519 . . . . 0.0 110.415 176.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 418' ' ' LYS . . . . . 0.521 ' H ' ' HG ' ' A' ' 416' ' ' LEU . 5.6 tppp? . . . . . 0 CA--C 1.519 -0.229 0 CA-C-O 121.576 0.703 . . . . 0.0 110.428 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -56.37 -46.47 80.03 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 113.846 -1.524 . . . . 0.0 110.897 -174.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 71.1 t -64.18 -45.67 95.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.89 -179.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -72.68 -39.95 66.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.671 -174.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -70.48 -24.05 62.79 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.114 -175.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 41.1 mtmt -98.72 -6.91 28.6 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.386 174.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -75.68 -51.12 13.47 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 171.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.851 175.957 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 3.5 p . . . . . 0 N--CA 1.454 -0.23 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -59.77 -44.48 93.86 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -175.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -70.73 -54.0 13.42 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.742 -174.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 382' ' ' ASN . . . . . 0.405 ' O ' HG13 ' A' ' 386' ' ' ILE . 1.1 p30 -67.99 -36.11 79.46 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 121.055 -0.258 . . . . 0.0 111.483 -173.167 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 383' ' ' LYS . . . . . 0.461 ' HB3' HD13 ' A' ' 416' ' ' LEU . 2.6 mptm? -65.64 -49.27 69.28 Favored 'General case' 0 CA--C 1.519 -0.232 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.246 179.442 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 384' ' ' GLU . . . . . 0.442 ' CG ' ' HB3' ' A' ' 416' ' ' LEU . 24.7 mt-10 -60.55 -36.21 77.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.279 179.644 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -63.22 -41.02 99.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.77 0.319 . . . . 0.0 110.954 176.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 386' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 382' ' ' ASN . 96.2 mt -68.61 -40.74 82.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.079 0.466 . . . . 0.0 109.867 -179.601 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 60.5 m -67.15 -40.49 86.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.511 176.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 388' ' ' ASN . . . . . 0.577 ' O ' ' HG3' ' A' ' 391' ' ' LYS . 1.3 m-80 -79.88 -10.27 59.76 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 122.314 -0.241 . . . . 0.0 111.302 -179.282 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -70.14 -20.2 63.17 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.067 0.461 . . . . 0.0 109.977 172.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -99.0 -43.86 6.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.554 176.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 391' ' ' LYS . . . . . 0.577 ' HG3' ' O ' ' A' ' 388' ' ' ASN . 8.6 mtmp? 57.37 -92.67 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.634 -179.755 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -83.0 -21.32 33.93 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 123.47 0.481 . . . . 0.0 111.29 -171.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 -79.29 104.71 10.1 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.23 0.538 . . . . 0.0 110.097 -178.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 394' ' ' GLN . . . . . 0.449 ' O ' ' HG2' ' A' ' 398' ' ' GLU . 35.7 tt0 -76.52 -50.01 15.05 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.399 -0.818 . . . . 0.0 110.516 -177.774 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -58.2 -47.71 82.6 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.267 -174.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 396' ' ' ALA . . . . . 0.43 ' HA ' ' ND2' ' A' ' 399' ' ' ASN . . . -64.69 -33.2 75.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.932 -178.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 397' ' ' CYS . . . . . 0.568 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 1.8 t -75.59 -36.59 60.29 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.664 -0.415 . . . . 0.0 110.308 -179.057 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 398' ' ' GLU . . . . . 0.495 ' CD ' ' HZ1' ' A' ' 401' ' ' LYS . 16.7 mm-40 -64.1 -22.51 66.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.756 0.313 . . . . 0.0 110.674 175.615 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 399' ' ' ASN . . . . . 0.43 ' ND2' ' HA ' ' A' ' 396' ' ' ALA . 85.7 m-20 -71.18 -49.31 45.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.99 0.424 . . . . 0.0 110.407 174.131 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . 0.416 HD11 ' HA ' ' A' ' 397' ' ' CYS . 2.3 pp -90.45 13.55 15.34 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.374 0.607 . . . . 0.0 110.528 -178.162 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . 0.726 ' HG3' ' O ' ' A' ' 405' ' ' CYS . 33.4 tttp -54.08 -21.19 7.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.793 -1.094 . . . . 0.0 112.408 179.639 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -52.56 -35.27 53.43 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 123.632 0.582 . . . . 0.0 111.444 -177.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -78.0 -23.29 48.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.3 -175.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 404' ' ' GLY . . . . . 0.671 ' HA2' ' HD3' ' A' ' 418' ' ' LYS . . . 128.88 48.34 0.15 Allowed Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.338 -0.934 . . . . 0.0 112.951 177.283 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 405' ' ' CYS . . . . . 0.726 ' O ' ' HG3' ' A' ' 401' ' ' LYS . 60.5 m -116.52 112.02 20.78 Favored 'General case' 0 C--N 1.32 -0.68 0 O-C-N 122.52 -0.4 . . . . 0.0 111.421 -175.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 406' ' ' VAL . . . . . 0.523 ' HB ' ' HB3' ' A' ' 418' ' ' LYS . 7.5 p -115.74 114.54 46.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 174.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 407' ' ' PHE . . . . . 0.823 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 21.4 t80 -62.89 122.37 15.82 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.054 178.364 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -104.01 117.19 33.7 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.076 -179.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 12.0 p -62.11 -27.99 69.31 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.514 -179.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -72.87 -48.26 38.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.048 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 26.6 m -75.98 -17.12 59.84 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.717 -0.22 . . . . 0.0 110.629 178.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 10.5 t30 70.36 4.24 4.82 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.694 0.759 . . . . 0.0 110.541 -179.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -126.94 162.7 25.33 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.109 -179.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 414' ' ' CYS . . . . . 0.823 ' HA ' ' HA ' ' A' ' 407' ' ' PHE . 22.6 t -76.92 131.74 38.71 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.367 173.486 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -128.38 140.12 52.02 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.849 0.357 . . . . 0.0 111.547 -169.173 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.461 HD13 ' HB3' ' A' ' 383' ' ' LYS . 15.8 tp . . . . . 0 C--N 1.327 -0.384 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 170.025 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 418' ' ' LYS . . . . . 0.671 ' HD3' ' HA2' ' A' ' 404' ' ' GLY . 4.2 ptmm? . . . . . 0 N--CA 1.464 0.245 0 CA-C-O 121.306 0.574 . . . . 0.0 110.461 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -68.61 -45.88 70.77 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.8 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 44.2 t -67.34 -40.03 83.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.006 177.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -59.14 -53.47 58.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.998 178.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -62.78 -43.24 99.31 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.064 0.459 . . . . 0.0 110.302 -179.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 50.6 tttp -56.45 -53.54 56.18 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.867 179.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 10.4 tt -69.86 -38.8 76.54 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.183 -175.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 . . . . . 0 C--N 1.328 -0.34 0 CA-C-O 120.86 0.362 . . . . 0.0 110.815 -178.124 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 379' ' ' SER . . . . . 0.452 ' O ' ' HD3' ' A' ' 383' ' ' LYS . 11.5 m . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 111.594 0.22 . . . . 0.0 111.594 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -70.71 -38.31 73.62 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.643 0.259 . . . . 0.0 111.118 -177.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -67.32 -58.0 5.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.408 -176.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 382' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -64.97 -37.28 87.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.087 -173.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 383' ' ' LYS . . . . . 0.611 ' HB3' ' HG ' ' A' ' 416' ' ' LEU . 6.3 mptp? -59.22 -57.67 12.01 Favored 'General case' 0 CA--C 1.518 -0.262 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.097 176.683 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 384' ' ' GLU . . . . . 0.499 ' HG3' ' HB2' ' A' ' 416' ' ' LEU . 20.6 mt-10 -61.55 -35.69 78.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.721 -177.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? -62.01 -44.15 97.33 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.908 0.385 . . . . 0.0 110.095 176.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 386' ' ' ILE . . . . . . . . . . . . . 84.8 mt -66.1 -40.48 87.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.655 177.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 387' ' ' CYS . . . . . 0.637 ' O ' ' HB2' ' A' ' 414' ' ' CYS . 67.2 m -59.12 -44.76 92.02 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.317 175.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -75.74 -19.11 59.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.84 -177.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -72.46 -14.24 61.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.315 177.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 390' ' ' ALA . . . . . 0.729 ' HB1' HD21 ' A' ' 400' ' ' LEU . . . -92.78 -20.46 20.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.972 0.415 . . . . 0.0 110.396 179.024 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 391' ' ' LYS . . . . . 0.511 ' HZ1' ' HB2' ' A' ' 391' ' ' LYS . 9.9 mtmp? 58.25 -139.15 0.81 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.459 177.273 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -87.82 12.6 12.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.038 -179.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -83.13 90.2 7.04 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 178.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -64.19 -31.85 73.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.813 -176.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -63.86 -52.58 59.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.957 0.408 . . . . 0.0 110.094 175.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 396' ' ' ALA . . . . . 0.409 ' O ' ' HB2' ' A' ' 399' ' ' ASN . . . -60.76 -38.89 86.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.08 178.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -53.41 -52.76 58.35 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.186 -0.916 . . . . 0.0 111.243 174.689 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -60.32 -22.94 63.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.845 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 399' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' A' ' 396' ' ' ALA . 41.1 m-80 -70.75 -61.14 1.88 Allowed 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.936 0.398 . . . . 0.0 110.596 174.604 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . 0.729 HD21 ' HB1' ' A' ' 390' ' ' ALA . 2.8 pp -83.03 12.08 5.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.124 0.488 . . . . 0.0 111.23 -177.02 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 5.7 tmtp? -50.48 -39.99 49.83 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.202 -0.908 . . . . 0.0 112.189 -179.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -72.98 -3.1 23.88 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -174.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -86.29 2.33 47.67 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.38 175.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 100.23 18.7 21.02 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.266 178.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 91.3 m -106.7 119.76 40.18 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.074 0.464 . . . . 0.0 111.132 -177.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 7.4 p -114.37 132.95 61.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.869 177.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 407' ' ' PHE . . . . . 0.557 ' HD1' ' SG ' ' A' ' 414' ' ' CYS . 29.0 t80 -72.91 130.27 40.02 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.271 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -110.96 116.89 31.97 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.376 178.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 8.5 p -71.45 -17.71 62.36 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.759 -175.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -78.67 -49.34 13.34 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.826 0.346 . . . . 0.0 110.554 -176.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 28.2 p -80.43 -18.42 48.84 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.173 176.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 65.84 39.96 4.44 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.841 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 53.6 pttt -154.67 152.39 29.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.655 176.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 414' ' ' CYS . . . . . 0.637 ' HB2' ' O ' ' A' ' 387' ' ' CYS . 32.5 m -65.88 126.41 28.45 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.785 0.326 . . . . 0.0 110.694 170.676 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -123.16 165.23 17.22 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 176.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.611 ' HG ' ' HB3' ' A' ' 383' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.434 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 178.129 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? . . . . . 0 N--CA 1.464 0.247 0 N-CA-C 111.844 0.313 . . . . 0.0 111.844 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -61.4 -38.76 88.23 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.855 -178.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 98.2 t -71.25 -45.07 72.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.284 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -59.01 -42.49 90.27 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.312 177.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -58.03 -47.96 81.51 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.062 178.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 423' ' ' LYS . . . . . 0.4 ' HB3' ' HE3' ' A' ' 423' ' ' LYS . 0.4 OUTLIER -78.3 -20.57 51.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.008 -174.156 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 76.2 mt -79.16 -47.45 16.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.13 174.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.346 -178.253 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 379' ' ' SER . . . . . 0.669 ' HA ' ' ND2' ' A' ' 382' ' ' ASN . 41.7 m . . . . . 0 C--O 1.222 -0.363 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -50.95 -51.17 55.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.833 0.349 . . . . 0.0 111.838 -175.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -72.0 -49.19 39.08 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.05 -176.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 382' ' ' ASN . . . . . 0.669 ' ND2' ' HA ' ' A' ' 379' ' ' SER . 1.2 p30 -75.58 -27.31 58.52 Favored 'General case' 0 C--O 1.223 -0.317 0 C-N-CA 120.397 -0.521 . . . . 0.0 111.315 -172.296 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 383' ' ' LYS . . . . . 0.521 ' HB2' ' O ' ' A' ' 379' ' ' SER . 13.7 mptt -65.02 -48.83 72.51 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 174.431 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -56.43 -46.21 80.36 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 114.808 -1.087 . . . . 0.0 109.943 175.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 385' ' ' LYS . . . . . 0.458 ' C ' ' HD3' ' A' ' 385' ' ' LYS . 13.0 tmtt? -58.52 -43.02 89.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.496 178.462 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 386' ' ' ILE . . . . . 0.512 HG13 ' O ' ' A' ' 382' ' ' ASN . 72.7 mt -63.32 -43.69 98.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.221 0.534 . . . . 0.0 109.702 -178.067 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 387' ' ' CYS . . . . . 0.402 ' O ' ' HB3' ' A' ' 414' ' ' CYS . 59.7 m -66.85 -40.46 87.91 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.591 176.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.99 -27.45 65.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.212 -179.096 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -72.39 -13.59 61.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.889 0.376 . . . . 0.0 111.285 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -82.8 -22.95 34.06 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 175.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 37.6 mtpt 53.97 -137.28 1.23 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 114.697 -1.138 . . . . 0.0 111.147 177.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 392' ' ' ASP . . . . . 0.474 ' HA ' ' HA ' ' A' ' 413' ' ' LYS . 5.1 m-20 -79.83 0.68 29.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.182 -176.151 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -78.91 109.24 13.0 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.001 0.429 . . . . 0.0 110.005 -178.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 394' ' ' GLN . . . . . 0.476 ' O ' ' HG3' ' A' ' 398' ' ' GLU . 52.2 tt0 -64.82 -45.24 87.04 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.77 -175.069 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 395' ' ' LYS . . . . . 0.41 ' HE2' ' HB2' ' A' ' 395' ' ' LYS . 16.4 ttmm -70.69 -34.27 71.8 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 121.022 -0.271 . . . . 0.0 111.546 -172.686 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -61.34 -37.59 83.88 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 174.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 397' ' ' CYS . . . . . 0.401 ' HB2' ' HB2' ' A' ' 414' ' ' CYS . 23.7 t -69.71 -40.4 76.31 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.061 176.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 398' ' ' GLU . . . . . 0.476 ' HG3' ' O ' ' A' ' 394' ' ' GLN . 44.7 mt-10 -54.66 -40.67 69.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.091 176.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -66.98 -40.85 87.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.232 0.539 . . . . 0.0 110.283 178.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . . . . . . . . . 69.6 mt -83.21 0.19 46.56 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.409 -177.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . 0.42 ' HA ' ' O ' ' A' ' 405' ' ' CYS . 5.6 tmtm? -58.23 -34.88 70.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.999 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -65.0 -33.76 76.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.761 178.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -81.12 -12.58 59.21 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.929 -176.009 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 122.09 14.87 4.43 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.513 -0.851 . . . . 0.0 113.195 176.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 405' ' ' CYS . . . . . 0.55 ' HB3' ' SG ' ' A' ' 414' ' ' CYS . 71.2 m -93.94 147.65 22.9 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.166 0.508 . . . . 0.0 111.293 179.644 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 9.2 p -136.91 141.87 39.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 175.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 407' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -76.52 125.77 29.82 Favored 'General case' 0 N--CA 1.44 -0.956 0 C-N-CA 119.825 -0.75 . . . . 0.0 109.034 177.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -111.5 99.15 7.97 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.149 0.499 . . . . 0.0 109.777 -174.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 17.1 p -66.46 -17.15 64.63 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.58 -0.737 . . . . 0.0 111.859 -174.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -68.7 -26.33 65.23 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.293 0.568 . . . . 0.0 109.663 -178.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 12.8 p -117.36 -0.37 12.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.383 176.291 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 10.0 t30 68.94 10.28 7.84 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.318 176.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 413' ' ' LYS . . . . . 0.474 ' HA ' ' HA ' ' A' ' 392' ' ' ASP . 5.2 ptpp? -135.97 168.11 19.96 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 121.996 -0.44 . . . . 0.0 111.34 -176.437 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 414' ' ' CYS . . . . . 0.55 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 49.6 t -74.66 138.94 43.2 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.537 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -138.45 158.46 44.23 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.393 -176.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.521 HD11 ' HB3' ' A' ' 383' ' ' LYS . 56.1 tp . . . . . 0 C--N 1.327 -0.381 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 174.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.222 -0.344 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 419' ' ' ASP . . . . . 0.602 ' O ' ' HD3' ' A' ' 423' ' ' LYS . 33.7 t70 -63.75 -37.68 88.28 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.095 0.474 . . . . 0.0 110.346 176.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 93.6 t -76.1 -41.6 37.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.254 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 19.6 ttmt -68.28 -36.2 79.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.896 0.379 . . . . 0.0 110.652 -179.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -59.78 -44.58 93.83 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.054 175.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 423' ' ' LYS . . . . . 0.602 ' HD3' ' O ' ' A' ' 419' ' ' ASP . 0.6 OUTLIER -81.26 -6.18 58.59 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.386 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 64.0 tp -89.34 -58.82 2.4 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.873 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.655 -176.413 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 49.2 m . . . . . 0 N--CA 1.455 -0.214 0 CA-C-O 120.743 0.306 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -65.01 -41.75 95.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.165 179.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -59.06 -58.63 7.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.506 -175.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 382' ' ' ASN . . . . . 0.572 ' O ' HG13 ' A' ' 386' ' ' ILE . 2.9 p30 -70.15 -32.25 70.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.058 -173.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 383' ' ' LYS . . . . . 0.452 ' HB3' HD13 ' A' ' 416' ' ' LEU . 13.3 mptt -68.74 -46.23 69.41 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -179.667 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -59.15 -41.36 88.16 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.296 177.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 19.5 tptm -67.58 -29.05 68.31 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.973 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 386' ' ' ILE . . . . . 0.572 HG13 ' O ' ' A' ' 382' ' ' ASN . 79.6 mt -65.54 -44.14 94.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 175.007 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 14.4 m -61.59 -41.89 98.08 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.113 175.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.59 -17.76 61.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.565 -177.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -77.86 -22.84 49.23 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.25 0.548 . . . . 0.0 110.586 176.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -87.41 -35.24 18.42 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.036 178.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 45.0 mtmt 67.23 -86.34 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 114.971 -1.013 . . . . 0.0 112.366 174.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -121.93 -9.22 8.79 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.64 -171.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -75.51 85.99 2.61 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.525 0.678 . . . . 0.0 110.568 -175.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -53.95 -45.32 71.27 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.362 -1.29 . . . . 0.0 112.725 -172.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 395' ' ' LYS . . . . . 0.404 ' HD2' ' HA ' ' A' ' 395' ' ' LYS . 38.7 tptt -64.06 -40.23 95.82 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.911 -0.316 . . . . 0.0 111.081 -175.088 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 396' ' ' ALA . . . . . 0.474 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -63.08 -31.95 73.21 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.646 0.736 . . . . 0.0 109.922 177.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 397' ' ' CYS . . . . . 0.507 ' HA ' ' CD1' ' A' ' 400' ' ' LEU . 86.3 m -76.94 -35.99 56.88 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 114.911 -1.041 . . . . 0.0 111.31 -178.354 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -55.96 -36.5 67.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.811 0.339 . . . . 0.0 110.284 171.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 41.2 m-80 -64.42 -46.25 84.05 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.201 178.082 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . 0.507 ' CD1' ' HA ' ' A' ' 397' ' ' CYS . 1.8 pp -98.44 18.7 15.93 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.895 0.379 . . . . 0.0 111.779 -177.618 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . 0.634 ' HA ' ' O ' ' A' ' 405' ' ' CYS . 14.1 tmtt? -56.52 -46.65 80.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.211 179.105 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -62.06 -19.59 63.08 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.625 -176.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 403' ' ' LYS . . . . . 0.455 ' HD2' ' HB2' ' A' ' 400' ' ' LEU . 61.8 mttp -76.02 -20.99 57.35 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.518 -178.422 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 404' ' ' GLY . . . . . 0.405 ' O ' HD11 ' A' ' 416' ' ' LEU . . . 136.59 -6.6 3.87 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.381 177.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 405' ' ' CYS . . . . . 0.634 ' O ' ' HA ' ' A' ' 401' ' ' LYS . 73.3 m -94.89 113.54 25.28 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.151 0.501 . . . . 0.0 111.638 -175.048 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 39.5 t -110.92 136.6 46.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 175.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 407' ' ' PHE . . . . . 0.535 ' HD1' ' SG ' ' A' ' 414' ' ' CYS . 27.0 t80 -75.16 122.37 23.52 Favored 'General case' 0 N--CA 1.44 -0.955 0 C-N-CA 119.858 -0.737 . . . . 0.0 109.711 178.075 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -99.14 110.3 22.88 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 -179.299 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 2.7 p -76.04 -15.97 60.03 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.927 0.394 . . . . 0.0 111.585 -177.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -84.39 -52.91 5.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.075 178.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 20.7 m -71.9 -24.78 61.71 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.084 0.468 . . . . 0.0 109.786 175.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 70.14 47.51 0.56 Allowed 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.295 175.58 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -161.0 161.15 31.4 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.284 174.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 414' ' ' CYS . . . . . 0.535 ' SG ' ' HD1' ' A' ' 407' ' ' PHE . 59.9 m -73.97 118.08 16.5 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 172.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -127.81 133.53 49.42 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.574 -168.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.531 HD23 ' HD3' ' A' ' 421' ' ' LYS . 36.4 tp . . . . . 0 C--N 1.327 -0.379 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 174.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 418' ' ' LYS . . . . . 0.566 ' O ' ' HB2' ' A' ' 422' ' ' GLU . 16.2 ptmt . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 120.783 0.325 . . . . 0.0 110.764 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.2 -51.41 53.8 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.76 178.657 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 76.6 t -69.58 -42.91 80.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 120.837 0.351 . . . . 0.0 110.328 178.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 421' ' ' LYS . . . . . 0.531 ' HD3' HD23 ' A' ' 416' ' ' LEU . 3.6 ttpp -65.21 -27.82 68.95 Favored 'General case' 0 C--O 1.213 -0.855 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.304 -179.557 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 422' ' ' GLU . . . . . 0.566 ' HB2' ' O ' ' A' ' 418' ' ' LYS . 1.4 tp10 -72.81 -42.38 63.9 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.274 0.559 . . . . 0.0 109.536 -178.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -65.74 -37.94 87.76 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.181 177.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 56.4 tp -75.67 -34.73 60.48 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.791 178.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 425' ' ' GLU . . . . . 0.515 ' HB2' ' O ' ' A' ' 421' ' ' LYS . 6.8 tp10 . . . . . 0 C--O 1.234 0.267 0 CA-C-O 121.516 0.674 . . . . 0.0 109.454 179.261 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 14.7 m . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -53.34 -47.24 69.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.878 0.371 . . . . 0.0 110.479 177.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -66.51 -40.99 89.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.099 -179.662 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 382' ' ' ASN . . . . . 0.493 ' O ' HG13 ' A' ' 386' ' ' ILE . 22.0 m-80 -61.32 -52.21 65.63 Favored 'General case' 0 CA--C 1.507 -0.697 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.783 179.054 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 383' ' ' LYS . . . . . 0.55 ' HB3' HD11 ' A' ' 416' ' ' LEU . 1.7 mptm? -57.08 -45.84 83.02 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.658 179.32 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -55.32 -50.61 69.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.687 174.005 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -54.57 -40.7 69.04 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.273 0.472 . . . . 0.0 112.273 178.807 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 386' ' ' ILE . . . . . 0.493 HG13 ' O ' ' A' ' 382' ' ' ASN . 51.5 mt -68.48 -41.17 83.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 121.099 0.476 . . . . 0.0 109.916 -178.87 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 38.9 m -68.27 -44.9 74.54 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.513 177.112 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -66.66 -27.37 67.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.04 -175.664 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -63.63 -16.38 60.8 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.338 0.495 . . . . 0.0 112.338 178.391 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -85.76 -26.4 25.85 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.188 0.518 . . . . 0.0 109.829 178.166 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 60.9 mttm 55.34 -103.07 0.17 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 114.718 -1.128 . . . . 0.0 113.153 176.402 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -98.68 -21.33 16.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.918 -168.578 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -78.32 104.22 8.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.284 0.564 . . . . 0.0 110.666 -177.357 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -64.02 -37.73 88.48 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.186 -0.916 . . . . 0.0 111.282 -178.448 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -62.3 -45.18 94.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.445 -177.372 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 396' ' ' ALA . . . . . 0.478 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -64.44 -39.75 94.43 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-O 120.795 0.331 . . . . 0.0 110.393 178.761 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 44.3 t -57.77 -50.75 72.21 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.525 0.678 . . . . 0.0 110.401 177.053 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 398' ' ' GLU . . . . . 0.787 ' HA ' ' HB2' ' A' ' 401' ' ' LYS . 34.9 mt-10 -80.32 0.5 32.66 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.4 -177.366 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -80.65 -43.69 20.03 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.249 0.547 . . . . 0.0 109.588 168.333 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 1.3 pp -97.23 14.38 26.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.332 176.881 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . 0.787 ' HB2' ' HA ' ' A' ' 398' ' ' GLU . 57.2 tptt -41.99 -36.6 1.15 Allowed 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 114.336 -1.302 . . . . 0.0 112.96 174.502 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -61.41 -21.88 64.5 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 120.616 0.246 . . . . 0.0 111.603 -176.5 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -75.3 -6.77 51.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.914 0.387 . . . . 0.0 110.748 179.175 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 100.3 16.1 28.35 Favored Glycine 0 N--CA 1.447 -0.628 0 N-CA-C 111.659 -0.577 . . . . 0.0 111.659 -178.303 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 71.3 m -89.27 103.93 16.52 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 121.181 0.515 . . . . 0.0 110.927 -178.2 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 2.5 p -101.6 122.36 53.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.874 176.27 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 407' ' ' PHE . . . . . 0.576 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 36.7 t80 -64.15 123.35 18.84 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 179.157 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -99.72 108.66 21.04 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.201 -176.074 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 4.2 p -76.51 -22.78 54.01 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.263 -178.487 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -63.91 -41.04 97.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.897 0.379 . . . . 0.0 110.779 -177.87 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 16.3 m -108.13 0.68 21.73 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 179.441 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 5.7 t30 54.99 69.61 0.71 Allowed 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.312 -179.233 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 413' ' ' LYS . . . . . 0.466 ' HZ2' ' CD ' ' A' ' 415' ' ' GLU . 17.0 pttp -177.3 145.79 0.46 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.447 174.82 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 414' ' ' CYS . . . . . 0.576 ' HA ' ' HA ' ' A' ' 407' ' ' PHE . 53.4 t -70.49 123.11 21.01 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 176.207 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 415' ' ' GLU . . . . . 0.466 ' CD ' ' HZ2' ' A' ' 413' ' ' LYS . 40.2 mt-10 -136.09 172.26 13.27 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.408 -176.928 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.907 HD23 ' HD3' ' A' ' 418' ' ' LYS . 24.5 tp . . . . . 0 C--N 1.321 -0.668 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 418' ' ' LYS . . . . . 0.907 ' HD3' HD23 ' A' ' 416' ' ' LEU . 19.3 mtpp . . . . . 0 CA--C 1.517 -0.298 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 419' ' ' ASP . . . . . 0.484 ' O ' ' HG2' ' A' ' 423' ' ' LYS . 15.0 t70 -68.87 -41.07 78.9 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.159 -172.68 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 94.5 t -66.25 -44.58 91.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.849 -179.606 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 25.6 ttmt -72.02 -23.33 61.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.102 0.477 . . . . 0.0 110.239 179.025 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 422' ' ' GLU . . . . . 0.436 ' HB3' ' O ' ' A' ' 419' ' ' ASP . 34.8 tt0 -64.04 -41.82 97.27 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.798 172.137 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 423' ' ' LYS . . . . . 0.484 ' HG2' ' O ' ' A' ' 419' ' ' ASP . 46.7 mmtm -75.47 -13.83 60.4 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.271 178.754 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 63.8 tp -83.45 -36.74 23.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.098 174.317 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 . . . . . 0 C--O 1.232 0.181 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 176.379 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 379' ' ' SER . . . . . 0.53 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 6.2 m . . . . . 0 N--CA 1.454 -0.243 0 CA-C-O 120.44 0.162 . . . . 0.0 111.351 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 380' ' ' ALA . . . . . 0.601 ' HB3' ' HG ' ' A' ' 424' ' ' LEU . . . -70.73 -41.04 72.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.818 0.342 . . . . 0.0 110.347 178.672 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -55.01 -57.86 9.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.536 -175.848 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 382' ' ' ASN . . . . . 0.524 ' O ' HG13 ' A' ' 386' ' ' ILE . 1.9 p30 -75.72 -37.35 59.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.131 -174.882 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 383' ' ' LYS . . . . . 0.53 ' HB2' ' O ' ' A' ' 379' ' ' SER . 10.8 mptt -66.46 -46.07 77.63 Favored 'General case' 0 CA--C 1.517 -0.299 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.124 -178.028 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -58.45 -46.81 85.8 Favored 'General case' 0 C--O 1.222 -0.373 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.02 175.242 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -60.78 -34.7 74.88 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.388 -179.077 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 386' ' ' ILE . . . . . 0.524 HG13 ' O ' ' A' ' 382' ' ' ASN . 75.9 mt -68.89 -48.58 69.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 178.254 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 62.8 m -64.01 -42.39 97.16 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.827 179.159 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -76.31 -17.33 59.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.723 -174.496 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -62.5 -27.61 69.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.28 176.731 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -77.3 -24.03 50.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.113 0.482 . . . . 0.0 109.748 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 56.5 mttp 58.93 -108.21 0.39 Allowed 'General case' 0 C--O 1.234 0.269 0 CA-C-N 114.957 -1.019 . . . . 0.0 111.74 174.707 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -101.93 -0.61 33.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.734 -177.034 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -85.32 106.48 16.74 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.084 0.469 . . . . 0.0 110.151 -178.631 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 394' ' ' GLN . . . . . 0.429 ' O ' ' HG2' ' A' ' 398' ' ' GLU . 6.3 tt0 -69.54 -40.01 77.12 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.43 -176.599 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -60.68 -42.05 96.34 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.933 0.397 . . . . 0.0 110.875 -176.811 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 396' ' ' ALA . . . . . 0.477 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -62.11 -36.69 82.49 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.106 175.941 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 7.9 t -69.29 -39.16 78.49 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.597 -179.781 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 398' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' A' ' 394' ' ' GLN . 62.3 mm-40 -62.03 -27.15 68.68 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.58 176.817 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -79.15 -25.62 42.86 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.259 174.532 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 92.6 mt -91.05 1.82 56.79 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.94 179.691 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 17.7 mmtp -51.62 -36.68 46.81 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 123.078 0.551 . . . . 0.0 111.324 175.376 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -56.15 -39.4 72.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.671 177.837 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 403' ' ' LYS . . . . . 0.414 ' HD2' ' N ' ' A' ' 403' ' ' LYS . 3.2 mptp? -79.44 -15.44 57.81 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.816 -174.351 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 108.88 10.59 24.33 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.505 -0.855 . . . . 0.0 111.969 -177.314 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 58.7 m -84.23 132.39 34.65 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 178.49 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 65.2 t -131.78 128.65 60.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 178.353 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 407' ' ' PHE . . . . . 0.428 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 26.3 t80 -65.98 120.61 13.42 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-O 121.325 0.583 . . . . 0.0 109.707 177.4 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -105.91 108.88 20.63 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.299 -175.338 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.65 -14.06 60.35 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.921 0.391 . . . . 0.0 111.597 -177.364 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -55.95 -52.29 64.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.08 171.931 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 42.4 t -98.28 -8.96 26.24 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.205 -179.786 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 6.3 t30 55.66 68.12 0.91 Allowed 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.008 -171.901 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 6.1 tppp? -166.32 143.7 5.22 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.133 -172.096 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 414' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 407' ' ' PHE . 51.2 t -75.94 120.22 20.98 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.741 -0.836 . . . . 0.0 108.741 169.732 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -137.22 152.94 50.42 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.268 -174.756 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.428 ' HG ' HG22 ' A' ' 420' ' ' VAL . 36.2 tp . . . . . 0 C--N 1.324 -0.539 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 175.413 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 418' ' ' LYS . . . . . 0.413 ' HE3' ' HB2' ' A' ' 418' ' ' LYS . 15.2 ptmt . . . . . 0 C--O 1.222 -0.366 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -65.03 -42.14 94.63 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.019 0.438 . . . . 0.0 111.445 -176.026 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 420' ' ' VAL . . . . . 0.428 HG22 ' HG ' ' A' ' 416' ' ' LEU . 10.4 m -82.7 -31.66 9.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 C-N-CA 120.719 -0.393 . . . . 0.0 111.069 -179.921 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -71.5 -32.24 68.0 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.612 177.656 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -75.02 -28.79 60.62 Favored 'General case' 0 C--O 1.218 -0.584 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 176.26 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 423' ' ' LYS . . . . . 0.604 ' HD3' ' O ' ' A' ' 423' ' ' LYS . 8.4 tmtt? -69.7 -31.32 69.28 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.438 0.637 . . . . 0.0 109.486 174.697 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 424' ' ' LEU . . . . . 0.601 ' HG ' ' HB3' ' A' ' 380' ' ' ALA . 3.2 tm? -63.51 -39.88 95.59 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.917 177.696 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 . . . . . 0 C--N 1.324 -0.523 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.66 173.343 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 379' ' ' SER . . . . . 0.4 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 10.8 p . . . . . 0 N--CA 1.455 -0.206 0 CA-C-O 120.957 0.408 . . . . 0.0 110.79 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -69.16 -41.84 76.72 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.782 179.526 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -53.77 -58.94 5.41 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.377 -177.826 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 382' ' ' ASN . . . . . 0.495 ' O ' HG13 ' A' ' 386' ' ' ILE . 3.4 p30 -72.62 -30.77 64.62 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.183 -174.134 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 383' ' ' LYS . . . . . 0.632 ' HB3' HD13 ' A' ' 416' ' ' LEU . 13.4 mptt -68.72 -43.17 76.52 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-O 120.993 0.425 . . . . 0.0 109.889 -179.29 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -57.53 -39.51 76.75 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.041 175.872 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -68.75 -37.68 79.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.545 178.908 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 386' ' ' ILE . . . . . 0.495 HG13 ' O ' ' A' ' 382' ' ' ASN . 80.8 mt -63.07 -46.93 94.87 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.341 0 CA-C-O 121.269 0.557 . . . . 0.0 109.527 177.927 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 61.7 m -62.2 -44.57 96.28 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.732 177.915 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -74.75 -19.58 60.16 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -174.727 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -72.71 -11.62 60.7 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.84 0.352 . . . . 0.0 110.925 176.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -90.92 -14.88 30.78 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 175.415 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 391' ' ' LYS . . . . . 0.59 ' HZ2' ' HB3' ' A' ' 391' ' ' LYS . 8.3 mtpm? 54.78 -99.88 0.1 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 114.477 -1.238 . . . . 0.0 112.31 178.621 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -128.15 13.05 6.67 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.305 -174.682 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -83.33 98.36 9.4 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.281 178.593 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -62.29 -32.56 73.3 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 121.138 -0.225 . . . . 0.0 110.939 -178.908 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -57.68 -51.99 67.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.992 0.425 . . . . 0.0 110.051 175.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 396' ' ' ALA . . . . . 0.567 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -66.23 -34.9 79.06 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.342 -179.523 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 397' ' ' CYS . . . . . 0.516 ' SG ' ' HD2' ' A' ' 407' ' ' PHE . 59.9 m -62.61 -42.48 99.6 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.349 176.703 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -60.37 -33.93 73.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.797 0.332 . . . . 0.0 110.992 176.594 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 38.0 m-80 -65.59 -52.62 50.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.095 177.746 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 1.8 pp -95.49 15.62 19.2 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 111.976 0.362 . . . . 0.0 111.976 -175.59 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -62.1 -33.63 74.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.43 0.634 . . . . 0.0 109.368 176.104 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 402' ' ' GLU . . . . . 0.433 ' HG3' ' HG3' ' A' ' 403' ' ' LYS . 3.3 pt-20 -59.67 -25.06 64.43 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.584 176.301 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 403' ' ' LYS . . . . . 0.433 ' HG3' ' HG3' ' A' ' 402' ' ' GLU . 59.1 mttp -89.88 2.49 54.94 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.476 -172.871 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 103.02 17.59 17.93 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.218 -0.992 . . . . 0.0 112.786 176.783 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 71.5 m -104.71 137.66 42.18 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.273 177.703 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 10.9 p -125.27 140.38 48.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.949 179.505 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 407' ' ' PHE . . . . . 0.516 ' HD2' ' SG ' ' A' ' 397' ' ' CYS . 37.6 t80 -84.23 130.87 34.79 Favored 'General case' 0 N--CA 1.441 -0.898 0 CA-C-O 121.446 0.641 . . . . 0.0 110.478 179.206 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 408' ' ' ASN . . . . . 0.453 ' O ' ' HA ' ' A' ' 412' ' ' ASN . 52.1 t-20 -99.53 122.5 42.68 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.397 -0.82 . . . . 0.0 108.842 179.17 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 17.4 p -91.7 -11.34 37.18 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.941 0.401 . . . . 0.0 111.383 -176.847 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -82.27 -59.27 2.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.682 176.678 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 4.4 m -77.9 -17.51 57.21 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.05 177.075 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 412' ' ' ASN . . . . . 0.453 ' HA ' ' O ' ' A' ' 408' ' ' ASN . 4.8 t30 60.88 66.59 0.89 Allowed 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.144 -0.934 . . . . 0.0 110.598 178.673 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -172.35 159.63 4.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.671 179.438 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 414' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.02 138.64 39.71 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.405 174.477 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -140.1 165.61 26.9 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.785 175.312 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.632 HD13 ' HB3' ' A' ' 383' ' ' LYS . 44.9 tp . . . . . 0 C--N 1.328 -0.352 0 CA-C-O 120.719 0.295 . . . . 0.0 110.619 178.708 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt . . . . . 0 C--O 1.221 -0.398 0 CA-C-O 120.466 0.174 . . . . 0.0 111.272 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -50.39 -58.03 6.63 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-O 121.513 0.673 . . . . 0.0 111.132 -178.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 68.3 t -63.0 -49.22 84.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.859 -177.775 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 421' ' ' LYS . . . . . 0.415 ' HA ' ' HB3' ' A' ' 424' ' ' LEU . 4.3 tmmm? -69.69 -24.35 63.57 Favored 'General case' 0 C--O 1.214 -0.802 0 C-N-CA 120.401 -0.52 . . . . 0.0 111.701 -176.803 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -65.95 -49.49 67.72 Favored 'General case' 0 C--N 1.316 -0.891 0 O-C-N 121.952 -0.467 . . . . 0.0 110.119 179.177 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 6.3 ptpp? -81.79 -3.2 53.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.047 178.401 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 424' ' ' LEU . . . . . 0.415 ' HB3' ' HA ' ' A' ' 421' ' ' LYS . 8.2 tt -96.02 -39.32 9.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.764 174.414 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 . . . . . 0 C--N 1.331 -0.212 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.788 -178.61 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 58.2 m . . . . . 0 N--CA 1.456 -0.167 0 CA-C-O 120.361 0.124 . . . . 0.0 111.323 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -65.95 -38.05 87.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.697 0.284 . . . . 0.0 110.741 179.772 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -63.63 -62.56 1.58 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.814 -178.955 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 382' ' ' ASN . . . . . 0.518 ' O ' HG13 ' A' ' 386' ' ' ILE . 4.2 p30 -65.29 -33.0 74.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.523 -172.034 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 383' ' ' LYS . . . . . 0.583 ' HB3' HD21 ' A' ' 416' ' ' LEU . 5.4 mptp? -67.25 -44.46 79.35 Favored 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.273 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -58.92 -45.23 90.85 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.757 175.814 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -60.21 -39.71 87.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.21 -179.5 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 386' ' ' ILE . . . . . 0.518 HG13 ' O ' ' A' ' 382' ' ' ASN . 78.2 mt -65.67 -44.58 93.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.253 0.549 . . . . 0.0 109.762 179.891 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 59.3 m -66.42 -40.45 89.57 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.448 -0.797 . . . . 0.0 110.507 178.639 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 388' ' ' ASN . . . . . 0.435 ' N ' HD21 ' A' ' 388' ' ' ASN . 0.9 OUTLIER -79.58 -5.02 54.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.682 -179.321 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -75.7 -29.01 58.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.029 0.442 . . . . 0.0 110.022 171.015 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -85.04 -23.97 28.36 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.263 175.618 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 67.2 mttm 64.96 -91.24 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 114.629 -1.169 . . . . 0.0 111.866 173.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -129.63 14.49 5.96 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.926 0.393 . . . . 0.0 110.798 179.36 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -81.21 105.89 12.76 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.265 174.378 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 22.8 tm0? -62.55 -44.13 97.09 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 179.808 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -53.47 -51.9 61.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.277 -179.841 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 396' ' ' ALA . . . . . 0.402 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -65.82 -27.26 68.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.363 -179.298 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 27.6 t -80.63 -35.89 33.34 Favored 'General case' 0 CA--C 1.508 -0.653 0 CA-C-O 122.112 0.958 . . . . 0.0 108.499 -174.964 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 398' ' ' GLU . . . . . 0.492 ' O ' ' HB2' ' A' ' 401' ' ' LYS . 5.5 tp10 -58.74 -35.08 72.15 Favored 'General case' 0 N--CA 1.423 -1.784 0 CA-C-N 113.674 -1.603 . . . . 0.0 110.091 175.381 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -75.55 -37.03 60.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.604 175.398 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . 0.688 ' HA ' ' HD3' ' A' ' 403' ' ' LYS . 97.5 mt -82.11 6.34 16.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.076 -179.536 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . 0.511 ' HA ' ' O ' ' A' ' 405' ' ' CYS . 9.4 tptm -46.18 -47.34 17.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.505 177.205 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -65.31 -17.32 64.42 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.663 -0.698 . . . . 0.0 112.065 -176.066 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 403' ' ' LYS . . . . . 0.688 ' HD3' ' HA ' ' A' ' 400' ' ' LEU . 3.5 mptp? -91.18 -7.53 51.17 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.841 0.353 . . . . 0.0 110.843 -173.933 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 404' ' ' GLY . . . . . 0.413 ' O ' HD11 ' A' ' 416' ' ' LEU . . . 114.14 1.05 23.82 Favored Glycine 0 N--CA 1.45 -0.403 0 N-CA-C 111.593 -0.603 . . . . 0.0 111.593 -178.804 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 405' ' ' CYS . . . . . 0.654 ' HB3' ' SG ' ' A' ' 414' ' ' CYS . 82.4 m -92.53 128.13 38.27 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.293 0.568 . . . . 0.0 111.74 -174.336 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 12.5 p -137.36 138.86 44.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 175.536 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 407' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -70.45 129.56 39.58 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-O 121.102 0.477 . . . . 0.0 110.26 -178.071 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -112.13 111.01 21.61 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.467 -179.567 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 11.2 p -80.84 -1.89 45.06 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.685 -176.461 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -69.79 -44.83 69.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.268 0.556 . . . . 0.0 109.635 176.51 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 8.3 p -108.26 -5.68 16.7 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.401 177.511 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 7.9 t30 56.4 76.2 0.31 Allowed 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.118 -0.946 . . . . 0.0 110.52 -175.142 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -165.61 172.02 12.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.741 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 414' ' ' CYS . . . . . 0.654 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 51.1 t -93.39 117.18 29.77 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 169.745 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -128.26 153.41 46.99 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.775 0.321 . . . . 0.0 110.272 -175.122 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.583 HD21 ' HB3' ' A' ' 383' ' ' LYS . 27.2 tp . . . . . 0 C--N 1.325 -0.463 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 173.605 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 418' ' ' LYS . . . . . 0.439 ' HB3' ' HE3' ' A' ' 418' ' ' LYS . 12.7 ttpp . . . . . 0 C--O 1.221 -0.395 0 CA-C-O 121.552 0.691 . . . . 0.0 110.212 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -78.35 -17.06 57.03 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 114.863 -1.062 . . . . 0.0 111.289 -174.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 61.4 t -82.6 -40.64 16.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 172.011 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -59.92 -43.74 94.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.572 172.807 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -67.39 -38.65 85.02 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.38 -1.282 . . . . 0.0 110.484 179.188 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 30.5 ttmt -56.89 -39.02 73.61 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.384 0.611 . . . . 0.0 110.452 178.48 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 66.9 mt -72.83 -66.36 0.68 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.171 -0.922 . . . . 0.0 112.02 -176.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 . . . . . 0 C--N 1.32 -0.674 0 CA-C-O 121.203 0.525 . . . . 0.0 111.761 -172.155 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 12.4 p . . . . . 0 C--O 1.233 0.204 0 CA-C-O 121.064 0.459 . . . . 0.0 110.747 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -70.52 -39.01 74.32 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.668 178.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -58.16 -55.25 37.44 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.244 -177.069 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 382' ' ' ASN . . . . . 0.4 ' O ' HG13 ' A' ' 386' ' ' ILE . 2.3 p30 -70.83 -34.32 71.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.88 -175.739 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 383' ' ' LYS . . . . . 0.406 ' HE3' ' HB3' ' A' ' 403' ' ' LYS . 12.9 mptt -63.99 -52.27 60.37 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 178.839 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -55.7 -43.05 76.08 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.975 -1.011 . . . . 0.0 110.577 178.362 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -66.25 -43.29 86.93 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.105 -178.219 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 386' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 382' ' ' ASN . 83.5 mt -69.58 -41.36 80.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.269 -178.935 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 77.7 m -58.77 -45.0 90.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.184 0.516 . . . . 0.0 109.783 174.884 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.95 -25.06 60.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.416 -177.813 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -72.91 -11.52 60.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.036 176.033 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -85.21 -15.62 43.01 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.225 -0.658 . . . . 0.0 109.225 176.775 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 66.6 mttm 59.75 -139.99 0.65 Allowed 'General case' 0 C--O 1.234 0.276 0 CA-C-N 114.806 -1.088 . . . . 0.0 111.455 174.253 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -88.81 6.33 39.45 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.764 179.938 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -75.39 99.21 4.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.044 0.45 . . . . 0.0 110.025 178.253 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -65.53 -44.87 85.55 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.915 -176.705 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -61.62 -42.31 98.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.839 0.352 . . . . 0.0 110.18 -178.631 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 396' ' ' ALA . . . . . 0.476 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -66.26 -40.03 89.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.76 179.043 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 38.9 t -62.45 -48.12 81.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.16 0.505 . . . . 0.0 110.282 177.745 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -63.94 -20.07 65.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.349 -179.429 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -71.9 -62.34 1.46 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.98 0.419 . . . . 0.0 110.229 174.486 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 1.9 pp -81.48 11.62 4.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.601 -176.551 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . 0.487 ' HG3' ' O ' ' A' ' 405' ' ' CYS . 65.8 tttt -54.62 -20.62 8.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.462 176.603 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -46.86 -40.62 14.29 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.354 173.039 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 403' ' ' LYS . . . . . 0.406 ' HB3' ' HE3' ' A' ' 383' ' ' LYS . 54.2 mttm -75.6 -16.09 60.27 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.827 -175.452 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 109.77 40.17 1.48 Allowed Glycine 0 N--CA 1.445 -0.745 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.837 -177.214 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 405' ' ' CYS . . . . . 0.561 ' HB3' ' SG ' ' A' ' 414' ' ' CYS . 72.1 m -111.54 104.77 13.2 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 -177.112 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 60.3 t -104.55 119.95 54.22 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.697 -178.678 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 407' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -69.05 121.09 15.97 Favored 'General case' 0 N--CA 1.436 -1.134 0 C-N-CA 120.245 -0.582 . . . . 0.0 109.617 175.94 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -100.69 124.7 46.67 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 178.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 1.6 p -80.88 -29.76 35.63 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.25 0.548 . . . . 0.0 110.995 -179.719 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -71.67 -48.66 46.09 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.757 179.042 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 12.6 t -73.75 -28.84 61.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.525 0.679 . . . . 0.0 109.213 173.59 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 5.7 t30 68.43 50.83 0.69 Allowed 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 114.414 -1.266 . . . . 0.0 111.004 174.113 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 413' ' ' LYS . . . . . 0.425 ' HZ1' ' CD ' ' A' ' 415' ' ' GLU . 19.5 pttp -173.12 164.76 4.88 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.968 175.107 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 414' ' ' CYS . . . . . 0.561 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 42.0 t -81.38 111.78 18.06 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.966 0.412 . . . . 0.0 110.063 179.618 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 415' ' ' GLU . . . . . 0.425 ' CD ' ' HZ1' ' A' ' 413' ' ' LYS . 12.5 mm-40 -115.04 169.93 8.73 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.727 -177.692 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.768 HD23 ' HG2' ' A' ' 418' ' ' LYS . 0.9 OUTLIER . . . . . 0 C--N 1.322 -0.597 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 171.168 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 418' ' ' LYS . . . . . 0.768 ' HG2' HD23 ' A' ' 416' ' ' LEU . 9.2 mmpt? . . . . . 0 N--CA 1.457 -0.122 0 CA-C-O 120.765 0.317 . . . . 0.0 110.714 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -79.53 -45.88 18.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.315 -0.402 . . . . 0.0 109.94 -178.275 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 87.5 t -59.56 -42.58 88.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.772 173.633 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -60.98 -44.63 97.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.812 177.509 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -67.17 -42.6 84.01 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.725 -178.027 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -62.49 -41.18 98.63 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.068 0.461 . . . . 0.0 110.391 177.764 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 58.6 tp -67.57 -27.38 66.88 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.451 178.101 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 . . . . . 0 C--N 1.321 -0.659 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.57 178.873 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 12.5 m . . . . . 0 CA--C 1.529 0.163 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -69.96 -36.44 75.23 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.935 0.398 . . . . 0.0 110.819 -178.591 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -65.68 -55.83 15.34 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.315 -174.71 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 382' ' ' ASN . . . . . 0.499 ' O ' HG13 ' A' ' 386' ' ' ILE . 1.5 p30 -73.64 -40.41 63.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.253 -173.222 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -59.41 -50.81 72.52 Favored 'General case' 0 CA--C 1.52 -0.211 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.318 -179.791 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -60.1 -44.24 94.97 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.307 177.693 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 8.2 tmtm? -59.44 -34.99 73.19 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.725 0.297 . . . . 0.0 111.363 -178.26 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 386' ' ' ILE . . . . . 0.499 HG13 ' O ' ' A' ' 382' ' ' ASN . 88.1 mt -65.77 -41.97 91.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.26 0.552 . . . . 0.0 109.545 178.29 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 14.3 m -70.74 -43.57 68.59 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.311 -0.858 . . . . 0.0 110.547 178.211 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -64.45 -26.66 68.54 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.861 -0.608 . . . . 0.0 111.103 -176.613 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -67.18 -23.9 65.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.733 178.738 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -79.38 -32.97 43.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.033 0.444 . . . . 0.0 110.27 -177.918 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm 57.45 -109.77 0.5 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.817 176.444 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -86.73 -18.36 31.34 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.291 -176.784 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -77.31 98.64 5.26 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.596 0.712 . . . . 0.0 111.782 -172.741 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -58.92 -36.69 75.14 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 114.5 -1.227 . . . . 0.0 110.573 177.011 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -66.04 -45.69 80.54 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.153 -178.683 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 396' ' ' ALA . . . . . 0.544 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -62.49 -39.17 92.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.265 178.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 49.1 t -62.56 -48.34 79.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.357 178.948 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 398' ' ' GLU . . . . . 0.581 ' HA ' ' HB2' ' A' ' 401' ' ' LYS . 7.2 mm-40 -65.99 -21.25 66.39 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.69 -179.186 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -70.84 -53.35 15.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.083 0.468 . . . . 0.0 110.539 175.505 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 1.3 pp -90.86 12.2 20.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.348 0.594 . . . . 0.0 110.81 -179.014 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . 0.581 ' HB2' ' HA ' ' A' ' 398' ' ' GLU . 3.3 tttp -53.19 -37.33 61.85 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.935 -1.03 . . . . 0.0 111.117 178.454 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -57.75 -28.77 64.23 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.51 -178.333 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 57.4 mttm -80.66 -2.18 45.55 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.009 -173.833 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 114.75 29.22 2.7 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.987 176.795 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 405' ' ' CYS . . . . . 0.519 ' O ' ' HG2' ' A' ' 401' ' ' LYS . 95.1 m -113.56 148.49 36.02 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.718 0.294 . . . . 0.0 111.165 -176.934 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 42.1 t -145.48 130.46 12.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.293 174.634 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 407' ' ' PHE . . . . . 0.521 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 28.2 t80 -77.11 124.09 27.32 Favored 'General case' 0 N--CA 1.441 -0.889 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 179.429 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -104.86 106.34 16.79 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 -178.651 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 7.2 p -70.55 -12.72 61.75 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.368 -177.933 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -67.18 -56.39 10.11 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.104 178.819 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 8.6 p -90.96 -10.89 40.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.893 179.648 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 6.0 t30 63.21 70.2 0.55 Allowed 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.41 -0.813 . . . . 0.0 110.502 -178.648 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 5.3 ptmm? -178.1 152.28 0.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.698 177.159 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 414' ' ' CYS . . . . . 0.521 ' HA ' ' HA ' ' A' ' 407' ' ' PHE . 49.9 t -82.59 118.81 23.57 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.084 177.012 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -121.92 176.42 5.79 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.733 -177.836 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.233 0.219 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 174.695 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 27.2 tptp . . . . . 0 CA--C 1.523 -0.068 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -61.07 -57.37 12.82 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.295 -0.866 . . . . 0.0 112.799 -170.902 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 57.1 t -63.89 -47.04 92.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.642 -174.096 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 421' ' ' LYS . . . . . 0.45 ' HD3' ' HG2' ' A' ' 425' ' ' GLU . 16.2 tppt? -64.9 -34.05 77.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.613 0.244 . . . . 0.0 110.865 -178.501 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -57.54 -55.79 30.3 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.281 0.563 . . . . 0.0 110.464 176.846 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -84.76 0.79 49.4 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.484 -174.333 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 41.4 tp -89.01 -41.85 12.11 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 176.074 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 425' ' ' GLU . . . . . 0.45 ' HG2' ' HD3' ' A' ' 421' ' ' LYS . 21.7 mm-40 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.112 178.378 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 379' ' ' SER . . . . . 0.588 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 5.2 p . . . . . 0 N--CA 1.451 -0.422 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -60.85 -44.25 97.23 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -174.262 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -80.23 -48.53 12.94 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.502 -0.479 . . . . 0.0 111.133 -171.196 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 382' ' ' ASN . . . . . 0.443 ' O ' HG13 ' A' ' 386' ' ' ILE . 0.0 OUTLIER -66.45 -31.22 71.83 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -177.388 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 383' ' ' LYS . . . . . 0.588 ' HB2' ' O ' ' A' ' 379' ' ' SER . 11.6 mptt -66.74 -43.08 85.09 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 176.586 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 384' ' ' GLU . . . . . 0.845 ' HG2' ' HB2' ' A' ' 416' ' ' LEU . 48.9 mt-10 -66.08 -39.18 89.82 Favored 'General case' 0 C--O 1.217 -0.633 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.308 175.146 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 50.8 tptt -59.78 -48.43 81.72 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 123.065 0.228 . . . . 0.0 111.462 -178.471 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 386' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 382' ' ' ASN . 80.8 mt -58.46 -45.57 89.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 121.204 0.526 . . . . 0.0 110.281 178.529 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 387' ' ' CYS . . . . . 0.463 ' SG ' ' HB2' ' A' ' 414' ' ' CYS . 18.7 t -65.76 -47.5 75.0 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.537 179.062 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -67.14 -21.66 65.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.558 -177.55 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -64.44 -19.02 65.28 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -179.47 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 390' ' ' ALA . . . . . 0.721 ' HB3' ' SG ' ' A' ' 414' ' ' CYS . . . -84.7 -18.06 36.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.415 0.626 . . . . 0.0 109.596 178.549 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 391' ' ' LYS . . . . . 0.554 ' O ' ' HA ' ' A' ' 413' ' ' LYS . 93.4 mttt 58.63 -114.75 0.77 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 114.732 -1.122 . . . . 0.0 112.323 173.722 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -98.5 0.69 45.61 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 -172.505 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -89.83 93.37 9.41 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 178.795 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 394' ' ' GLN . . . . . 0.536 ' O ' ' HG2' ' A' ' 398' ' ' GLU . 60.5 tt0 -55.63 -39.12 70.41 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.98 -175.681 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -57.38 -40.58 78.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.736 0.303 . . . . 0.0 110.909 -179.209 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 396' ' ' ALA . . . . . 0.55 ' HB1' ' HB2' ' A' ' 390' ' ' ALA . . . -66.66 -38.68 87.34 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.419 -179.218 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 397' ' ' CYS . . . . . 0.627 ' SG ' ' HD2' ' A' ' 407' ' ' PHE . 2.3 m -63.5 -50.74 68.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.715 0.769 . . . . 0.0 109.704 177.901 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 398' ' ' GLU . . . . . 0.577 ' HA ' ' HD3' ' A' ' 401' ' ' LYS . 14.5 mm-40 -67.54 -17.66 64.74 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.037 -178.244 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -68.91 -51.74 36.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.134 0.492 . . . . 0.0 110.261 173.792 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . 0.455 ' HB2' ' HD2' ' A' ' 403' ' ' LYS . 1.5 pp -94.11 18.61 10.48 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.337 178.847 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . 0.577 ' HD3' ' HA ' ' A' ' 398' ' ' GLU . 23.7 tptp -39.42 -52.24 2.09 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 114.395 -1.275 . . . . 0.0 113.184 176.708 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -72.0 -1.91 16.31 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 121.042 0.449 . . . . 0.0 112.151 -170.772 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 403' ' ' LYS . . . . . 0.455 ' HD2' ' HB2' ' A' ' 400' ' ' LEU . 96.7 mttt -85.59 3.71 39.46 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.078 0.466 . . . . 0.0 109.952 175.882 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 101.66 32.25 5.18 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.557 -179.694 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 42.9 t -119.51 154.93 33.07 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.785 0.326 . . . . 0.0 110.791 -173.864 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 406' ' ' VAL . . . . . 0.522 ' HB ' ' HZ3' ' A' ' 401' ' ' LYS . 3.5 p -163.31 127.54 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 175.905 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 407' ' ' PHE . . . . . 0.865 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 50.7 t80 -60.62 124.14 19.5 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 121.431 0.634 . . . . 0.0 110.748 -179.471 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 408' ' ' ASN . . . . . 0.582 ' HB2' ' HB2' ' A' ' 415' ' ' GLU . 34.7 t30 -102.73 95.87 6.48 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.153 -0.931 . . . . 0.0 109.407 -178.464 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 2.8 p -61.7 -25.45 67.42 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.536 -176.561 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -72.06 -20.58 61.65 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.85 -177.876 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 22.9 t -114.5 -7.17 12.84 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.925 176.753 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 67.2 t30 64.97 28.58 12.54 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.505 -179.85 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 413' ' ' LYS . . . . . 0.554 ' HA ' ' O ' ' A' ' 391' ' ' LYS . 23.3 pttp -153.09 153.58 33.13 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.7 176.272 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 414' ' ' CYS . . . . . 0.865 ' HA ' ' HA ' ' A' ' 407' ' ' PHE . 0.0 OUTLIER -65.33 134.46 53.6 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 178.469 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 415' ' ' GLU . . . . . 0.582 ' HB2' ' HB2' ' A' ' 408' ' ' ASN . 2.3 tp10 -119.84 152.43 37.33 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.294 -177.081 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.845 ' HB2' ' HG2' ' A' ' 384' ' ' GLU . 2.3 tt . . . . . 0 C--N 1.326 -0.445 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 174.136 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt . . . . . 0 CA--C 1.52 -0.206 0 CA-C-O 120.771 0.32 . . . . 0.0 111.669 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -63.48 -38.63 91.88 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.579 174.364 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 50.2 t -80.15 -35.81 16.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.935 -176.556 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -62.37 -49.94 73.56 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-O 121.755 0.788 . . . . 0.0 109.719 178.582 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -62.14 -45.81 91.8 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.511 -1.222 . . . . 0.0 110.398 176.815 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 29.1 ttpp -61.21 -35.71 77.93 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.888 178.902 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 65.2 tp -58.59 -49.68 76.57 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.896 -179.027 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 . . . . . 0 CA--C 1.531 0.247 0 C-N-CA 120.253 -0.579 . . . . 0.0 111.116 -179.424 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 379' ' ' SER . . . . . 0.793 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 87.8 p . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 120.455 0.169 . . . . 0.0 111.423 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -63.6 -57.2 10.86 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.609 0.242 . . . . 0.0 111.349 179.914 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -80.12 -37.78 32.89 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.233 -0.587 . . . . 0.0 111.103 -170.629 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 382' ' ' ASN . . . . . 0.62 ' ND2' ' HA ' ' A' ' 379' ' ' SER . 1.1 p30 -75.37 -26.31 58.4 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.311 -0.556 . . . . 0.0 110.849 -176.467 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 383' ' ' LYS . . . . . 0.793 ' HB2' ' O ' ' A' ' 379' ' ' SER . 0.1 OUTLIER -67.89 -53.03 29.71 Favored 'General case' 0 CA--C 1.51 -0.587 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 174.959 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -53.26 -43.07 67.12 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.115 -0.948 . . . . 0.0 111.127 -179.831 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -61.23 -48.39 81.72 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.025 179.301 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 386' ' ' ILE . . . . . . . . . . . . . 75.5 mt -64.9 -40.59 89.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.31 -178.437 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 387' ' ' CYS . . . . . 0.47 ' O ' ' HB3' ' A' ' 414' ' ' CYS . 65.0 m -59.55 -45.44 91.82 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.001 175.42 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -74.17 -18.23 60.81 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.076 -177.712 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -73.31 -14.83 61.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.164 0.507 . . . . 0.0 110.373 174.712 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 390' ' ' ALA . . . . . 0.546 ' HB1' HD22 ' A' ' 400' ' ' LEU . . . -87.1 -27.38 23.15 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 175.215 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp 61.89 -150.9 0.38 Allowed 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.612 178.029 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 392' ' ' ASP . . . . . 0.566 ' HA ' ' HA ' ' A' ' 413' ' ' LYS . 4.3 p30 -79.32 4.69 14.46 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.845 0.355 . . . . 0.0 111.176 -178.595 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -72.71 107.85 5.39 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 175.481 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.72 -39.03 80.63 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.272 -176.294 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -60.61 -43.46 97.43 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.712 -0.222 . . . . 0.0 110.494 178.517 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 396' ' ' ALA . . . . . 0.519 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -61.42 -38.4 86.97 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.94 0.4 . . . . 0.0 110.381 177.892 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 397' ' ' CYS . . . . . 0.424 ' HA ' HD11 ' A' ' 400' ' ' LEU . 15.3 t -66.38 -43.61 85.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.016 177.736 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -52.88 -42.0 64.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.247 174.759 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -59.52 -47.15 86.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 -179.113 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . 0.546 HD22 ' HB1' ' A' ' 390' ' ' ALA . 1.4 pp -103.44 19.75 19.14 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.767 -175.64 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . 0.653 ' HD3' ' O ' ' A' ' 405' ' ' CYS . 4.4 tppp? -57.23 -37.99 73.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.96 177.049 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -78.08 4.62 11.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.445 -178.464 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 54.5 mttp -102.14 8.68 40.63 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.995 0.426 . . . . 0.0 110.635 177.487 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 98.21 5.82 57.01 Favored Glycine 0 N--CA 1.451 -0.363 0 CA-C-N 115.767 -0.651 . . . . 0.0 113.025 175.586 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 405' ' ' CYS . . . . . 0.663 ' HB3' ' SG ' ' A' ' 414' ' ' CYS . 91.7 m -91.05 137.34 32.44 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.832 0.349 . . . . 0.0 110.981 -179.208 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 97.4 t -129.46 135.02 62.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.534 179.865 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 407' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -70.74 130.6 42.17 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.111 0.482 . . . . 0.0 110.764 -178.764 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 52.6 t-20 -103.14 123.56 46.92 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.116 178.575 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 11.9 p -81.43 -36.86 28.95 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.858 -177.51 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -71.99 -45.03 62.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.698 -178.405 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 16.2 m -81.03 -24.6 37.78 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.267 177.457 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 54.9 t30 64.52 71.86 0.46 Allowed 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.714 0.769 . . . . 0.0 110.058 177.469 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 413' ' ' LYS . . . . . 0.566 ' HA ' ' HA ' ' A' ' 392' ' ' ASP . 17.2 ptpt 177.63 158.76 0.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.671 -1.15 . . . . 0.0 108.864 -176.74 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 414' ' ' CYS . . . . . 0.663 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 11.4 t -77.04 125.71 29.78 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 172.27 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -136.61 153.6 50.9 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.819 0.342 . . . . 0.0 111.059 -172.007 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.533 HD11 ' HB3' ' A' ' 383' ' ' LYS . 67.7 tp . . . . . 0 C--N 1.324 -0.515 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 174.53 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 418' ' ' LYS . . . . . 0.503 ' HD2' ' C ' ' A' ' 418' ' ' LYS . 1.2 tmmt? . . . . . 0 CA--C 1.515 -0.399 0 CA-C-O 121.07 0.462 . . . . 0.0 110.794 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -56.9 -34.87 68.35 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.691 -173.058 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 46.4 t -79.16 -42.44 23.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.552 -178.644 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 421' ' ' LYS . . . . . 0.424 ' HE2' ' HB2' ' A' ' 421' ' ' LYS . 7.2 tppt? -71.48 -40.25 70.36 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.126 0.489 . . . . 0.0 110.403 -178.207 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -58.68 -50.31 74.34 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.787 178.228 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -82.6 -0.4 46.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.858 0.361 . . . . 0.0 111.664 -178.388 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 53.6 tp -87.14 -47.96 8.45 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 169.374 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 . . . . . 0 C--N 1.326 -0.453 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.108 -179.63 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 379' ' ' SER . . . . . 0.432 ' HA ' ' ND2' ' A' ' 382' ' ' ASN . 19.8 m . . . . . 0 N--CA 1.45 -0.439 0 CA-C-O 121.153 0.501 . . . . 0.0 110.282 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 380' ' ' ALA . . . . . 0.478 ' HB3' ' HD3' ' A' ' 418' ' ' LYS . . . -75.69 -35.07 60.42 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.292 177.391 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -66.51 -46.25 76.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.778 -178.842 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 382' ' ' ASN . . . . . 0.523 ' O ' HG13 ' A' ' 386' ' ' ILE . 4.0 p30 -72.9 -34.52 66.69 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.607 -177.426 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 383' ' ' LYS . . . . . 0.459 ' HB3' HD12 ' A' ' 416' ' ' LEU . 1.4 mptm? -63.96 -44.68 92.04 Favored 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 177.367 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -53.28 -43.31 67.39 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.732 -1.122 . . . . 0.0 110.138 175.62 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -68.19 -35.61 78.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.299 -179.811 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 386' ' ' ILE . . . . . 0.523 HG13 ' O ' ' A' ' 382' ' ' ASN . 82.4 mt -64.32 -43.44 97.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.381 0.61 . . . . 0.0 109.565 179.419 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 22.0 m -63.21 -39.47 94.71 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.231 176.88 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 388' ' ' ASN . . . . . 0.41 ' O ' ' HG3' ' A' ' 391' ' ' LYS . 0.9 OUTLIER -70.31 -19.52 63.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.384 179.446 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -72.06 -21.83 61.47 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.757 0.313 . . . . 0.0 111.242 175.06 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -91.66 -41.08 10.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.915 0.388 . . . . 0.0 110.857 -178.932 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 391' ' ' LYS . . . . . 0.41 ' HG3' ' O ' ' A' ' 388' ' ' ASN . 62.6 mttp 57.72 -104.18 0.21 Allowed 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.896 179.034 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -100.76 -3.47 29.99 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.73 0.3 . . . . 0.0 111.168 -174.813 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 45.2 t-20 -78.84 91.47 4.75 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 179.154 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -59.78 -40.54 88.62 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.296 -0.866 . . . . 0.0 111.679 -177.596 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 395' ' ' LYS . . . . . 0.435 ' O ' ' HB3' ' A' ' 399' ' ' ASN . 0.1 OUTLIER -61.15 -48.27 82.37 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -179.3 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 396' ' ' ALA . . . . . 0.715 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -59.53 -42.94 93.43 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.103 177.09 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 41.9 t -57.8 -56.34 23.28 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.962 179.214 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 398' ' ' GLU . . . . . 0.534 ' HA ' ' HB2' ' A' ' 401' ' ' LYS . 41.0 mt-10 -61.92 -32.9 73.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.11 0.481 . . . . 0.0 110.966 -179.434 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 399' ' ' ASN . . . . . 0.435 ' HB3' ' O ' ' A' ' 395' ' ' LYS . 0.0 OUTLIER -67.21 -28.49 68.12 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.033 179.91 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . 0.715 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 3.2 pp -115.8 17.38 16.1 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-O 121.12 0.486 . . . . 0.0 111.059 176.774 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . 0.534 ' HB2' ' HA ' ' A' ' 398' ' ' GLU . 13.6 tmtt? -56.22 -29.65 61.28 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.616 178.132 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -50.3 -32.8 17.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.8 177.016 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -75.98 -14.93 60.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.715 -0.22 . . . . 0.0 111.364 -175.946 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 120.93 -0.53 11.85 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.302 179.268 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 405' ' ' CYS . . . . . 0.513 ' O ' ' HG2' ' A' ' 401' ' ' LYS . 73.4 m -81.3 117.62 21.94 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.09 0.471 . . . . 0.0 111.116 -178.763 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 34.8 t -114.46 129.59 70.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.372 178.897 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 407' ' ' PHE . . . . . 0.455 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 29.2 t80 -71.16 125.04 25.86 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-O 121.302 0.573 . . . . 0.0 109.849 179.212 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 408' ' ' ASN . . . . . 0.526 ' O ' ' HA ' ' A' ' 412' ' ' ASN . 13.8 t-20 -98.53 128.03 44.69 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.865 -178.414 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 11.7 p -90.33 -17.73 26.81 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.738 0.304 . . . . 0.0 111.575 -179.043 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -61.79 -57.56 11.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.653 -177.867 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 47.1 m -96.7 -11.62 24.88 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.604 174.288 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 412' ' ' ASN . . . . . 0.526 ' HA ' ' O ' ' A' ' 408' ' ' ASN . 6.8 t30 66.62 75.63 0.32 Allowed 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.488 176.341 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 17.5 ptmt -172.39 156.52 3.79 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.919 -1.037 . . . . 0.0 109.166 -179.251 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 414' ' ' CYS . . . . . 0.491 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 45.2 t -89.0 117.06 27.74 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 178.859 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -131.49 171.34 13.53 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 178.641 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.559 ' HG ' ' H ' ' A' ' 418' ' ' LYS . 47.6 tp . . . . . 0 C--N 1.321 -0.666 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 -176.836 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 418' ' ' LYS . . . . . 0.559 ' H ' ' HG ' ' A' ' 416' ' ' LEU . 18.4 ttpp . . . . . 0 CA--C 1.519 -0.213 0 CA-C-O 121.335 0.588 . . . . 0.0 111.4 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 419' ' ' ASP . . . . . 0.413 ' O ' ' HG3' ' A' ' 423' ' ' LYS . 4.2 m-20 -77.76 -36.76 50.31 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 114.91 -1.041 . . . . 0.0 110.992 -171.434 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 21.4 t -62.65 -43.81 98.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.659 176.393 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -64.97 -45.39 85.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.639 176.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -55.68 -48.74 74.55 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.26 -178.516 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 423' ' ' LYS . . . . . 0.413 ' HG3' ' O ' ' A' ' 419' ' ' ASP . 93.9 mttt -66.4 -29.48 69.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.104 0.478 . . . . 0.0 110.753 179.636 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 50.6 tp -72.79 -45.65 57.4 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.343 178.574 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 . . . . . 0 C--N 1.327 -0.404 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.354 179.586 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 379' ' ' SER . . . . . 0.63 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 23.2 p . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.797 0.332 . . . . 0.0 110.677 . . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 380' ' ' ALA . . . . . 0.572 ' O ' ' HB2' ' A' ' 384' ' ' GLU . . . -57.4 -44.68 84.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.151 179.492 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -64.55 -56.23 15.36 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.625 -177.955 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 382' ' ' ASN . . . . . 0.547 ' O ' HG13 ' A' ' 386' ' ' ILE . 2.2 p30 -77.11 -36.38 55.59 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -171.631 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 383' ' ' LYS . . . . . 0.63 ' HB2' ' O ' ' A' ' 379' ' ' SER . 13.8 mptt -69.27 -42.74 75.13 Favored 'General case' 0 CA--C 1.52 -0.2 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.446 -178.91 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 384' ' ' GLU . . . . . 0.572 ' HB2' ' O ' ' A' ' 380' ' ' ALA . 11.0 mm-40 -59.45 -44.23 93.0 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-N 116.235 -0.439 . . . . 0.0 109.969 174.865 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.01 -33.82 69.35 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.801 0.334 . . . . 0.0 111.005 -179.776 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 386' ' ' ILE . . . . . 0.672 HG22 HD11 ' A' ' 400' ' ' LEU . 87.3 mt -65.75 -40.21 87.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.394 0.616 . . . . 0.0 109.596 178.769 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 75.3 m -74.63 -44.88 48.33 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.193 178.176 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -66.92 -29.12 68.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.928 -174.902 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -67.54 -16.11 64.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.889 0.376 . . . . 0.0 111.271 178.578 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -98.41 -25.89 14.65 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.694 178.236 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 97.3 mttt 61.39 -89.2 0.03 OUTLIER 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.438 -178.958 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -121.56 11.2 10.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.85 -175.422 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -80.97 90.54 5.96 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.075 -0.65 . . . . 0.0 110.184 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 394' ' ' GLN . . . . . 0.489 ' O ' ' HG3' ' A' ' 398' ' ' GLU . 48.2 tt0 -52.09 -49.84 62.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.591 -0.731 . . . . 0.0 112.057 -178.264 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 47.6 tttp -59.48 -45.14 92.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.822 -171.742 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 396' ' ' ALA . . . . . 0.436 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -63.92 -34.2 77.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.64 0.733 . . . . 0.0 110.153 -179.665 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 81.6 m -78.6 -28.93 45.78 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.432 -178.692 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 398' ' ' GLU . . . . . 0.58 ' O ' ' HB2' ' A' ' 401' ' ' LYS . 45.3 mt-10 -64.81 -26.92 68.55 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.045 0.45 . . . . 0.0 110.089 171.772 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -74.83 -31.23 61.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.458 0.647 . . . . 0.0 109.519 173.041 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . 0.672 HD11 HG22 ' A' ' 386' ' ' ILE . 29.3 mt -88.71 -0.63 57.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.765 178.872 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . 0.58 ' HB2' ' O ' ' A' ' 398' ' ' GLU . 4.6 tmtp? -55.25 -44.84 75.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.26 -174.803 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -69.45 -15.86 63.36 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.969 -176.292 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -83.73 -6.45 59.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.886 178.385 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 106.61 -2.71 36.55 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.705 -0.76 . . . . 0.0 111.933 -179.017 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 405' ' ' CYS . . . . . 0.54 ' O ' ' HA ' ' A' ' 401' ' ' LYS . 22.9 t -85.07 111.94 20.2 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 179.763 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 61.9 t -111.68 125.68 69.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.362 -176.659 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 407' ' ' PHE . . . . . 0.539 ' HD2' ' SG ' ' A' ' 414' ' ' CYS . 34.0 t80 -71.7 119.25 15.59 Favored 'General case' 0 N--CA 1.436 -1.13 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 170.576 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -107.68 106.14 16.32 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.719 -175.132 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -65.26 -22.83 66.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.694 0.283 . . . . 0.0 111.402 -178.735 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -62.04 -36.15 80.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.397 0.618 . . . . 0.0 110.096 171.874 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 12.4 t -98.77 -12.17 21.16 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.148 -176.546 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 8.9 t30 55.91 35.57 25.71 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.266 -176.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 10.2 ptpp? -160.17 167.49 27.54 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.88 178.074 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 414' ' ' CYS . . . . . 0.539 ' SG ' ' HD2' ' A' ' 407' ' ' PHE . 35.3 m -77.87 122.85 26.01 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.689 173.774 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -134.84 132.42 38.59 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 -174.273 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.425 HD13 ' HB3' ' A' ' 383' ' ' LYS . 64.3 tp . . . . . 0 C--N 1.33 -0.253 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.105 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 21.5 pttp . . . . . 0 CA--C 1.523 -0.076 0 CA-C-O 121.241 0.543 . . . . 0.0 112.375 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -71.8 -30.3 65.38 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.755 -173.954 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 67.3 t -75.33 -41.01 43.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 174.891 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 5.6 tppp? -57.25 -45.65 83.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.205 0.526 . . . . 0.0 110.227 176.703 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -53.69 -54.79 32.95 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.879 178.268 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -70.36 -27.78 64.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.805 -177.234 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 29.3 tp -76.73 -39.61 51.27 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.961 -176.528 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 . . . . . 0 C--N 1.328 -0.369 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.208 178.44 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 379' ' ' SER . . . . . 0.52 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 16.8 m . . . . . 0 N--CA 1.452 -0.369 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 . . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 380' ' ' ALA . . . . . 0.433 ' HB3' ' HE3' ' A' ' 421' ' ' LYS . . . -69.26 -42.04 76.12 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.875 0.369 . . . . 0.0 110.433 178.332 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -58.88 -64.0 1.09 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.65 -179.123 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 382' ' ' ASN . . . . . 0.572 ' O ' HG13 ' A' ' 386' ' ' ILE . 2.9 p30 -70.05 -35.02 73.95 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -170.384 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 383' ' ' LYS . . . . . 0.52 ' HB2' ' O ' ' A' ' 379' ' ' SER . 14.0 mptt -69.32 -40.38 77.64 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.072 0.463 . . . . 0.0 110.505 -177.162 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 384' ' ' GLU . . . . . 0.495 ' HA ' ' HB2' ' A' ' 416' ' ' LEU . 17.7 tt0 -69.78 -31.26 69.1 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.643 -179.404 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -72.32 -27.54 62.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.694 176.493 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 386' ' ' ILE . . . . . 0.572 HG13 ' O ' ' A' ' 382' ' ' ASN . 68.7 mt -67.86 -45.96 83.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 177.718 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 24.6 m -67.68 -32.55 73.28 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.531 176.943 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.47 -23.74 62.75 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.137 178.01 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -66.85 -19.33 65.72 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.888 0.375 . . . . 0.0 110.889 176.087 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -81.29 -25.92 36.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.122 0.487 . . . . 0.0 109.827 178.598 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 95.1 mttt 59.91 -138.2 0.68 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.964 175.822 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 392' ' ' ASP . . . . . 0.42 ' HA ' ' HA ' ' A' ' 413' ' ' LYS . 4.6 p-10 -81.02 9.12 7.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.541 -177.411 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -94.35 99.51 11.71 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.717 179.756 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 394' ' ' GLN . . . . . 0.413 ' O ' ' HG2' ' A' ' 398' ' ' GLU . 10.3 tt0 -65.89 -38.75 89.59 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.373 178.33 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -59.71 -45.7 91.33 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 121.021 0.439 . . . . 0.0 110.172 -177.351 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 396' ' ' ALA . . . . . 0.453 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -62.65 -40.74 98.0 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.516 178.912 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 397' ' ' CYS . . . . . 0.45 ' HA ' ' CD1' ' A' ' 400' ' ' LEU . 2.0 t -71.38 -38.07 71.55 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.595 -177.589 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 398' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 394' ' ' GLN . 26.2 mm-40 -57.53 -34.32 69.0 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.833 0.349 . . . . 0.0 111.019 175.768 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -69.61 -41.13 76.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.499 179.075 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 2.0 pp -100.15 15.09 28.57 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.178 0.513 . . . . 0.0 111.328 179.983 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . 0.443 ' HG3' ' O ' ' A' ' 405' ' ' CYS . 79.5 tttt -68.11 -13.01 61.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.374 -177.666 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 402' ' ' GLU . . . . . 0.734 ' HG3' ' HD2' ' A' ' 403' ' ' LYS . 8.7 pt-20 -57.59 -19.42 25.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.598 177.621 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 403' ' ' LYS . . . . . 0.734 ' HD2' ' HG3' ' A' ' 402' ' ' GLU . 0.8 OUTLIER -77.99 -53.5 7.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.73 0.3 . . . . 0.0 110.352 176.602 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 404' ' ' GLY . . . . . 0.453 ' O ' HD11 ' A' ' 416' ' ' LEU . . . 148.56 47.51 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.582 -0.818 . . . . 0.0 111.954 177.097 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 405' ' ' CYS . . . . . 0.443 ' O ' ' HG3' ' A' ' 401' ' ' LYS . 53.6 m -106.15 148.35 27.96 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 120.696 0.284 . . . . 0.0 110.411 -175.955 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 8.7 p -133.89 131.71 56.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 178.128 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 407' ' ' PHE . . . . . 0.619 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 30.3 t80 -84.76 124.28 31.37 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-O 120.872 0.367 . . . . 0.0 110.114 -179.582 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -99.33 109.59 22.19 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 178.259 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 8.8 p -70.42 -18.63 63.02 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.767 -174.276 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -75.11 -43.07 54.88 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.397 -177.274 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 21.1 p -85.48 -18.46 33.47 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 174.177 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 6.0 t30 64.35 53.28 1.72 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 114.761 -1.109 . . . . 0.0 109.97 -179.226 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 413' ' ' LYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 392' ' ' ASP . 62.1 pttt -164.41 163.75 22.21 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.604 173.515 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 414' ' ' CYS . . . . . 0.619 ' HA ' ' HA ' ' A' ' 407' ' ' PHE . 14.5 t -99.59 137.9 37.43 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.962 0.411 . . . . 0.0 111.072 -175.566 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -133.64 160.92 36.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.786 -178.039 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.625 ' O ' ' HE2' ' A' ' 418' ' ' LYS . 18.2 tp . . . . . 0 C--N 1.326 -0.454 0 CA-C-O 120.762 0.315 . . . . 0.0 110.244 178.149 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 418' ' ' LYS . . . . . 0.625 ' HE2' ' O ' ' A' ' 416' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.173 0 CA-C-O 120.947 0.403 . . . . 0.0 111.432 . . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -62.39 -38.51 89.89 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.936 174.047 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 58.2 t -75.96 -39.85 37.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.077 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 421' ' ' LYS . . . . . 0.433 ' HE3' ' HB3' ' A' ' 380' ' ' ALA . 58.4 tttm -56.26 -37.94 70.48 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.548 0.689 . . . . 0.0 110.046 174.543 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -60.59 -47.94 83.99 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.737 -1.119 . . . . 0.0 110.768 176.884 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 423' ' ' LYS . . . . . 0.403 ' HB2' ' HE2' ' A' ' 423' ' ' LYS . 0.2 OUTLIER -77.94 -13.83 59.74 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.582 -178.252 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 58.0 tp -79.98 -60.42 2.35 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.278 178.611 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 . . . . . 0 C--N 1.327 -0.404 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.221 -178.97 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 379' ' ' SER . . . . . 0.681 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 14.2 m . . . . . 0 N--CA 1.455 -0.214 0 CA-C-O 120.819 0.342 . . . . 0.0 110.681 . . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 380' ' ' ALA . . . . . 0.623 ' HB3' ' HE2' ' A' ' 421' ' ' LYS . . . -67.9 -42.12 81.64 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.259 -179.14 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -64.55 -47.49 78.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.617 -174.309 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 382' ' ' ASN . . . . . 0.542 ' O ' HG13 ' A' ' 386' ' ' ILE . 1.8 p30 -77.85 -33.15 52.33 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.869 -177.109 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 383' ' ' LYS . . . . . 0.681 ' HB2' ' O ' ' A' ' 379' ' ' SER . 12.2 mptt -70.48 -46.09 64.43 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-O 121.272 0.558 . . . . 0.0 109.849 -176.976 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -61.18 -39.25 89.44 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.153 -0.931 . . . . 0.0 109.611 178.145 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.59 -37.14 77.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.633 176.658 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 386' ' ' ILE . . . . . 0.593 HG21 ' HG2' ' A' ' 403' ' ' LYS . 94.7 mt -67.34 -43.51 87.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.254 0.549 . . . . 0.0 109.858 179.034 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 34.5 m -65.48 -37.77 87.8 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.273 176.639 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -69.99 -22.29 63.15 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.686 179.042 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -67.63 -16.49 64.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.857 0.36 . . . . 0.0 111.076 174.928 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -90.94 -18.46 24.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.672 176.103 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 60.7 mttp 59.11 -123.98 1.27 Allowed 'General case' 0 C--O 1.232 0.153 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.625 177.452 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -99.23 11.2 39.75 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.878 -175.677 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -94.48 114.04 25.98 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.19 0.519 . . . . 0.0 109.967 179.976 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -72.13 -39.56 68.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.798 -176.764 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -56.18 -53.59 55.27 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.046 175.768 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 396' ' ' ALA . . . . . 0.421 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -60.75 -38.15 84.2 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.782 179.35 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 53.6 t -57.43 -53.62 56.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.731 178.64 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 398' ' ' GLU . . . . . 0.898 ' HA ' ' HB2' ' A' ' 401' ' ' LYS . 14.6 mt-10 -69.15 -14.9 63.25 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.911 -178.258 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 399' ' ' ASN . . . . . 0.403 ' ND2' ' HA ' ' A' ' 396' ' ' ALA . 94.9 m-20 -70.48 -38.76 74.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.763 0.316 . . . . 0.0 110.356 173.511 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 1.4 pp -107.46 13.87 26.45 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.467 0.651 . . . . 0.0 111.116 179.687 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . 0.898 ' HB2' ' HA ' ' A' ' 398' ' ' GLU . 85.6 tttt -55.8 -27.71 52.55 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.812 -1.086 . . . . 0.0 113.685 -177.807 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.02 -17.34 51.68 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -178.465 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 403' ' ' LYS . . . . . 0.593 ' HG2' HG21 ' A' ' 386' ' ' ILE . 13.2 mptt -74.16 -19.3 60.6 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.979 0.419 . . . . 0.0 110.222 176.769 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 404' ' ' GLY . . . . . 0.5 ' O ' HD11 ' A' ' 416' ' ' LEU . . . 116.28 37.22 1.03 Allowed Glycine 0 N--CA 1.447 -0.604 0 N-CA-C 111.27 -0.732 . . . . 0.0 111.27 -178.912 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 405' ' ' CYS . . . . . 0.675 ' HB2' ' HA ' ' A' ' 401' ' ' LYS . 82.4 m -103.06 133.79 47.58 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-O 121.171 0.51 . . . . 0.0 110.912 -170.687 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 13.1 p -130.55 134.07 62.7 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.607 177.546 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 407' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -81.8 120.33 25.02 Favored 'General case' 0 N--CA 1.433 -1.288 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 175.794 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -103.11 114.68 29.18 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.578 -177.311 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 15.6 p -63.59 -27.62 69.37 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.161 0.505 . . . . 0.0 111.383 -178.944 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -76.69 -37.74 55.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.161 -177.133 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 41.2 t -88.44 -19.67 26.21 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.184 178.569 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 68.09 23.65 7.99 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.337 178.799 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 43.1 mttp -139.16 165.8 26.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.373 -179.115 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 414' ' ' CYS . . . . . 0.587 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 40.8 t -91.37 120.85 32.58 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 168.564 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -135.1 167.25 21.32 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.755 0.312 . . . . 0.0 110.752 -178.973 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.5 HD11 ' O ' ' A' ' 404' ' ' GLY . 44.9 tp . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.735 176.748 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 418' ' ' LYS . . . . . 0.627 ' HA ' ' HE2' ' A' ' 418' ' ' LYS . 11.8 mmpt? . . . . . 0 C--O 1.233 0.205 0 CA-C-O 121.479 0.657 . . . . 0.0 110.588 . . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -58.13 -51.15 70.9 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.354 -1.294 . . . . 0.0 111.596 179.886 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 92.7 t -66.05 -54.77 23.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.216 -176.223 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 421' ' ' LYS . . . . . 0.623 ' HE2' ' HB3' ' A' ' 380' ' ' ALA . 5.7 tmtm? -52.86 -44.07 66.54 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.178 0.513 . . . . 0.0 111.878 -175.36 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -74.57 -49.14 22.95 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.52 -175.375 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -84.25 -6.29 59.37 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -172.452 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 64.7 tp -92.49 -49.32 6.19 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 175.009 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 . . . . . 0 C--N 1.328 -0.342 0 CA-C-O 121.066 0.46 . . . . 0.0 111.57 -177.592 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 379' ' ' SER . . . . . 0.672 ' HB2' HD11 ' A' ' 424' ' ' LEU . 14.4 p . . . . . 0 N--CA 1.45 -0.467 0 CA-C-O 120.786 0.327 . . . . 0.0 111.604 . . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -65.77 -38.5 89.23 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.167 -0.469 . . . . 0.0 112.171 -174.884 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -74.83 -52.96 10.03 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.879 0.371 . . . . 0.0 110.994 -170.98 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 382' ' ' ASN . . . . . 0.449 ' O ' HG13 ' A' ' 386' ' ' ILE . 0.0 OUTLIER -70.15 -29.22 66.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.931 -176.263 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 383' ' ' LYS . . . . . 0.59 ' HB2' ' O ' ' A' ' 379' ' ' SER . 12.0 tptt -63.97 -49.46 72.42 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 178.391 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -57.38 -39.36 75.9 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.259 175.463 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 3.5 tmtp? -57.98 -43.31 86.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.474 179.654 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 386' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 382' ' ' ASN . 76.2 mt -64.16 -41.74 93.38 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-O 121.319 0.58 . . . . 0.0 109.705 -179.063 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 387' ' ' CYS . . . . . 0.42 ' O ' ' HB3' ' A' ' 414' ' ' CYS . 34.5 m -67.41 -41.97 84.04 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.69 178.279 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -66.22 -30.43 70.88 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.804 0.335 . . . . 0.0 110.146 179.561 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -71.34 -4.98 29.06 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.877 178.475 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -93.43 -14.12 27.15 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 176.482 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt 61.85 -149.65 0.39 Allowed 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.417 175.79 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 392' ' ' ASP . . . . . 0.418 ' HB3' ' HD3' ' A' ' 413' ' ' LYS . 3.7 p-10 -89.81 7.2 38.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.767 178.412 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -80.43 101.75 9.22 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.736 175.98 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 394' ' ' GLN . . . . . 0.551 ' O ' ' HG2' ' A' ' 398' ' ' GLU . 34.2 tt0 -63.64 -35.68 81.33 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.949 -177.442 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -60.63 -45.4 94.19 Favored 'General case' 0 C--O 1.233 0.204 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 -177.463 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 396' ' ' ALA . . . . . 0.606 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -60.82 -44.74 96.5 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.403 176.775 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 31.6 t -61.52 -50.4 72.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.813 179.819 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 398' ' ' GLU . . . . . 0.551 ' HG2' ' O ' ' A' ' 394' ' ' GLN . 70.0 mm-40 -53.54 -40.37 65.47 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.159 0.504 . . . . 0.0 110.908 178.476 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -74.21 -24.59 59.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.734 -0.666 . . . . 0.0 112.27 -174.153 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 2.7 pp -112.12 11.58 20.41 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 121.866 -0.521 . . . . 0.0 111.293 176.355 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 23.5 ttpp -61.77 -25.71 67.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.181 -178.025 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 402' ' ' GLU . . . . . 0.521 ' OE1' ' HG3' ' A' ' 403' ' ' LYS . 0.5 OUTLIER -65.93 -5.22 8.66 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -179.909 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 403' ' ' LYS . . . . . 0.521 ' HG3' ' OE1' ' A' ' 402' ' ' GLU . 53.6 mttp -97.43 -1.24 44.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.638 -0.255 . . . . 0.0 111.382 174.121 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 106.83 23.04 7.31 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.991 176.768 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 405' ' ' CYS . . . . . 0.5 ' HB3' ' SG ' ' A' ' 414' ' ' CYS . 74.9 m -109.07 110.22 21.43 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.857 0.36 . . . . 0.0 110.722 -179.575 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 58.2 t -111.06 129.88 65.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.787 -179.465 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 407' ' ' PHE . . . . . 0.444 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 47.2 t80 -64.36 130.62 44.5 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-O 121.201 0.524 . . . . 0.0 110.633 -178.448 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -109.03 108.42 19.13 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.971 -178.586 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 1.1 p -68.61 -22.3 64.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.457 -178.433 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -56.91 -49.49 75.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.602 178.153 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 20.7 t -99.41 -8.75 24.33 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.02 0.438 . . . . 0.0 110.039 178.796 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 4.7 t30 61.62 41.81 11.81 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.687 -176.917 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 413' ' ' LYS . . . . . 0.418 ' HD3' ' HB3' ' A' ' 392' ' ' ASP . 72.9 mmtt -142.12 159.62 41.87 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.27 179.364 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 414' ' ' CYS . . . . . 0.5 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 48.3 t -78.04 127.59 32.56 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 176.344 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -124.63 151.54 44.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.04 -171.842 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.468 HD21 ' HB3' ' A' ' 383' ' ' LYS . 50.9 tp . . . . . 0 C--N 1.328 -0.358 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 176.045 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 418' ' ' LYS . . . . . 0.524 ' HA ' ' HB3' ' A' ' 421' ' ' LYS . 54.8 mtmt . . . . . 0 N--CA 1.454 -0.244 0 CA-C-O 120.88 0.372 . . . . 0.0 111.272 . . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -68.83 -48.04 64.53 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.84 172.215 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 420' ' ' VAL . . . . . 0.5 HG11 HD22 ' A' ' 424' ' ' LEU . 64.0 t -66.79 -41.25 87.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.758 176.479 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 421' ' ' LYS . . . . . 0.524 ' HB3' ' HA ' ' A' ' 418' ' ' LYS . 19.2 ttmm -53.0 -47.77 68.02 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.748 175.655 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -54.05 -48.94 70.05 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.68 178.383 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -64.12 -46.01 86.06 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.137 -178.841 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 424' ' ' LEU . . . . . 0.672 HD11 ' HB2' ' A' ' 379' ' ' SER . 4.1 pp -74.81 -28.29 60.65 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -175.5 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 425' ' ' GLU . . . . . 0.508 ' N ' HD12 ' A' ' 424' ' ' LEU . 30.3 mt-10 . . . . . 0 C--N 1.329 -0.306 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.588 178.181 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 379' ' ' SER . . . . . 0.51 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 24.6 m . . . . . 0 N--CA 1.455 -0.199 0 CA-C-O 120.687 0.279 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -67.41 -43.75 80.51 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.046 178.565 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -58.78 -55.17 38.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.668 -0.697 . . . . 0.0 112.28 -176.698 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 382' ' ' ASN . . . . . 0.537 ' O ' HG13 ' A' ' 386' ' ' ILE . 2.3 p30 -72.2 -34.22 68.21 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 121.076 -0.249 . . . . 0.0 111.033 -174.5 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 383' ' ' LYS . . . . . 0.653 ' HB3' HD22 ' A' ' 416' ' ' LEU . 11.1 mptt -71.5 -43.05 67.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.794 0.33 . . . . 0.0 110.409 179.723 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 384' ' ' GLU . . . . . 0.438 ' HG3' HD11 ' A' ' 416' ' ' LEU . 17.0 mt-10 -59.04 -37.25 76.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.447 174.769 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 53.4 tptt -67.06 -30.87 71.05 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.621 177.939 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 386' ' ' ILE . . . . . 0.537 HG13 ' O ' ' A' ' 382' ' ' ASN . 91.4 mt -71.35 -44.41 72.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 177.65 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 21.3 m -65.54 -38.17 88.86 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.038 175.953 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.77 -19.25 62.73 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.175 179.566 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -70.4 -20.46 62.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.664 174.589 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 390' ' ' ALA . . . . . 0.444 ' HB2' HD23 ' A' ' 400' ' ' LEU . . . -81.0 -24.4 37.99 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 178.002 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 391' ' ' LYS . . . . . 0.422 ' HZ3' ' HB3' ' A' ' 391' ' ' LYS . 9.3 mtpm? 60.82 -137.87 0.59 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.013 -0.994 . . . . 0.0 111.285 173.081 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -87.02 5.91 35.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.458 -177.592 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 55.2 t-20 -87.63 107.68 18.72 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 177.83 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -65.85 -38.67 89.49 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.461 -178.24 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 395' ' ' LYS . . . . . 0.541 ' O ' ' HG2' ' A' ' 398' ' ' GLU . 36.1 mtmm -61.37 -48.74 79.9 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.515 179.245 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 396' ' ' ALA . . . . . 0.526 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -60.79 -34.48 74.57 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.05 0.452 . . . . 0.0 110.515 179.8 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 52.5 t -66.21 -49.93 65.6 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.806 177.612 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 398' ' ' GLU . . . . . 0.541 ' HG2' ' O ' ' A' ' 395' ' ' LYS . 8.8 pt-20 -62.27 -27.75 69.24 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.051 -177.991 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 26.8 m-80 -62.58 -59.18 5.29 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.446 174.284 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 1.8 pp -84.3 11.29 8.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.035 0.445 . . . . 0.0 111.609 -178.262 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . 0.459 ' HB2' ' HA ' ' A' ' 398' ' ' GLU . 46.3 tttm -62.39 -17.57 59.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.841 177.758 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -57.42 -30.05 64.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.678 175.199 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -84.54 -2.2 56.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.937 -178.14 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 95.66 38.4 4.71 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.345 -179.806 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 405' ' ' CYS . . . . . 0.554 ' HB3' ' SG ' ' A' ' 414' ' ' CYS . 79.2 m -108.46 118.48 36.9 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 179.171 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 406' ' ' VAL . . . . . 0.526 HG12 HG22 ' A' ' 420' ' ' VAL . 8.6 p -112.98 137.03 47.4 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 -178.971 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 407' ' ' PHE . . . . . 0.466 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 30.4 t80 -85.59 126.05 33.59 Favored 'General case' 0 N--CA 1.439 -0.998 0 CA-C-O 121.262 0.553 . . . . 0.0 110.222 -179.596 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -109.62 113.18 25.73 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.546 176.554 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 2.5 p -70.92 -19.55 62.58 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.85 177.101 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -56.22 -62.93 1.38 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.669 179.612 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 9.5 t -89.49 -4.97 57.71 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.601 0.715 . . . . 0.0 109.393 175.787 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 59.89 67.71 0.85 Allowed 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 114.602 -1.181 . . . . 0.0 111.698 178.649 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 15.8 pttp -170.02 175.02 5.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.223 171.434 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 414' ' ' CYS . . . . . 0.554 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 49.8 t -100.47 126.4 46.88 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 176.366 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -133.93 176.8 8.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.903 0.382 . . . . 0.0 110.98 -178.977 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.653 HD22 ' HB3' ' A' ' 383' ' ' LYS . 8.2 mt . . . . . 0 C--N 1.325 -0.467 0 CA-C-O 121.112 0.482 . . . . 0.0 111.375 -179.964 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt . . . . . 0 CA--C 1.519 -0.227 0 CA-C-O 121.208 0.528 . . . . 0.0 111.79 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -76.57 -39.95 51.14 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.162 -0.926 . . . . 0.0 111.029 -173.609 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 420' ' ' VAL . . . . . 0.526 HG22 HG12 ' A' ' 406' ' ' VAL . 58.5 t -66.76 -43.61 89.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.858 -178.259 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 18.2 ttmm -69.64 -39.39 77.14 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.637 178.237 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -60.13 -47.32 86.39 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 176.427 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 423' ' ' LYS . . . . . 0.411 ' HE2' ' HB2' ' A' ' 423' ' ' LYS . 13.6 tppt? -60.88 -41.36 95.82 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.498 179.235 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -69.11 -60.53 2.29 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.107 -175.801 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 . . . . . 0 C--N 1.329 -0.299 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -172.972 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.601 0.239 . . . . 0.0 110.578 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -60.82 -40.76 93.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.853 0.359 . . . . 0.0 110.563 178.677 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -56.05 -56.49 20.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.782 -179.277 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 382' ' ' ASN . . . . . 0.417 ' O ' HG13 ' A' ' 386' ' ' ILE . 2.2 p30 -72.98 -34.11 66.24 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 121.0 -0.28 . . . . 0.0 110.695 -174.868 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 383' ' ' LYS . . . . . 0.565 ' HB3' HD22 ' A' ' 416' ' ' LEU . 3.0 mptp? -54.45 -57.47 11.2 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 173.696 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -56.72 -44.65 81.8 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.563 178.915 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 25.5 tptp -63.51 -38.9 92.92 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.432 0.16 . . . . 0.0 111.432 -177.254 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 386' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 382' ' ' ASN . 85.3 mt -67.79 -44.55 85.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.317 0.58 . . . . 0.0 109.715 178.256 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 387' ' ' CYS . . . . . 0.437 ' O ' ' HB3' ' A' ' 414' ' ' CYS . 62.0 m -63.16 -45.82 90.06 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.841 178.188 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -76.91 -15.28 59.73 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.669 -174.565 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -65.49 -25.56 67.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.716 175.353 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -79.91 -21.7 43.61 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -179.458 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 32.7 mtmm 57.45 -116.69 0.96 Allowed 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.486 175.87 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -94.08 -3.34 51.35 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.481 0.182 . . . . 0.0 111.368 -175.915 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -84.68 106.94 16.61 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.075 0.464 . . . . 0.0 110.374 -176.316 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -69.98 -39.12 76.15 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.878 -179.215 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -52.47 -55.76 19.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.579 179.832 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 396' ' ' ALA . . . . . 0.459 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -65.71 -33.6 76.25 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.497 -177.621 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 51.8 t -59.42 -50.24 74.7 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.421 0.629 . . . . 0.0 110.375 176.65 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 398' ' ' GLU . . . . . 0.615 ' HA ' ' HB2' ' A' ' 401' ' ' LYS . 20.7 mt-10 -77.72 -4.27 45.4 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.625 -177.189 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 -75.67 -41.43 53.96 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 167.398 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 1.4 pp -103.71 18.89 20.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.263 0.554 . . . . 0.0 110.814 178.358 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 401' ' ' LYS . . . . . 0.615 ' HB2' ' HA ' ' A' ' 398' ' ' GLU . 18.3 tptm -45.63 -32.52 2.4 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 114.933 -1.031 . . . . 0.0 111.36 175.233 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -48.49 -44.37 35.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.091 -0.959 . . . . 0.0 112.77 178.947 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -84.65 25.15 0.93 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -167.278 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 89.97 -1.7 80.85 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 121.01 -0.614 . . . . 0.0 111.766 177.516 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 405' ' ' CYS . . . . . 0.57 ' O ' ' HD2' ' A' ' 401' ' ' LYS . 76.2 m -79.19 115.36 18.8 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.165 -0.517 . . . . 0.0 110.855 -178.151 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 12.5 p -127.31 139.42 51.96 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 176.238 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 407' ' ' PHE . . . . . 0.449 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 21.1 t80 -70.21 122.19 19.01 Favored 'General case' 0 N--CA 1.441 -0.923 0 CA-C-O 121.112 0.482 . . . . 0.0 109.767 -179.836 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 25.0 t30 -98.86 101.66 13.13 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 -178.72 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 4.2 p -68.06 -25.87 65.57 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.876 -175.729 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -63.24 -29.37 70.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.321 -178.782 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 6.5 t -121.49 2.31 10.18 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.163 0.506 . . . . 0.0 110.195 178.202 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 4.0 t30 51.59 67.8 0.9 Allowed 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.928 -179.224 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -170.35 153.36 4.36 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.483 175.014 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 414' ' ' CYS . . . . . 0.498 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 37.1 t -73.01 129.12 37.39 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 176.441 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 46.4 tt0 -147.53 154.79 41.17 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.841 0.353 . . . . 0.0 110.892 -173.138 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.565 HD22 ' HB3' ' A' ' 383' ' ' LYS . 44.7 tp . . . . . 0 C--N 1.326 -0.44 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 173.164 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 8.6 tmtm? . . . . . 0 CA--C 1.52 -0.21 0 CA-C-O 121.142 0.496 . . . . 0.0 111.247 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 419' ' ' ASP . . . . . 0.439 ' O ' ' HG2' ' A' ' 423' ' ' LYS . 7.1 m-20 -75.8 -42.66 49.36 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.936 -176.396 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 39.6 t -62.64 -46.75 95.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.994 -177.457 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -63.69 -39.86 95.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.155 0.502 . . . . 0.0 110.347 178.367 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -63.35 -41.69 98.86 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.764 -178.865 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 423' ' ' LYS . . . . . 0.439 ' HG2' ' O ' ' A' ' 419' ' ' ASP . 34.6 mmtp -77.98 -13.29 59.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.693 179.105 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 55.9 tp -86.52 -45.45 11.08 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.609 179.124 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.662 -179.974 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.714 0 N-CA-C 112.279 -0.328 . . . . 0.0 112.279 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 30.8 t -94.51 119.28 32.96 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.755 0.312 . . . . 0.0 110.268 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 373' ' ' LYS . . . . . 0.637 ' HD3' ' H ' ' A' ' 373' ' ' LYS . 0.0 OUTLIER -96.1 147.22 23.96 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 176.751 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 374' ' ' LYS . . . . . . . . . . . . . 6.6 ptpp? -111.15 86.51 2.34 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.423 0.63 . . . . 0.0 110.981 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 375' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -97.2 -18.66 19.12 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 175.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -169.2 -65.55 0.02 OUTLIER 'General case' 0 C--O 1.236 0.354 0 CA-C-N 114.784 -1.098 . . . . 0.0 109.08 178.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 377' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 55.51 -151.32 0.4 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.634 -1.166 . . . . 0.0 110.39 178.29 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 378' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -76.44 -44.93 33.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.919 0.39 . . . . 0.0 111.283 -172.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 379' ' ' SER . . . . . 0.414 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 16.0 m -55.37 -51.36 67.05 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.426 -177.437 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -75.85 -31.09 59.17 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.689 -0.404 . . . . 0.0 111.455 -177.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -59.01 -61.33 2.72 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-O 120.747 0.308 . . . . 0.0 110.919 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 382' ' ' ASN . . . . . 0.478 ' O ' HG13 ' A' ' 386' ' ' ILE . 2.9 p30 -64.46 -33.13 75.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.573 -176.3 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 383' ' ' LYS . . . . . 0.707 ' HA ' ' HE3' ' A' ' 383' ' ' LYS . 0.0 OUTLIER -63.25 -53.58 50.75 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 121.417 0.627 . . . . 0.0 109.442 178.402 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -59.6 -40.83 88.76 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.798 -1.092 . . . . 0.0 110.9 178.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -62.76 -39.93 95.69 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.704 -178.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 386' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 382' ' ' ASN . 89.8 mt -64.81 -40.68 89.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.249 0.547 . . . . 0.0 109.849 179.124 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 387' ' ' CYS . . . . . 0.4 ' O ' ' HB3' ' A' ' 414' ' ' CYS . 32.9 m -66.14 -44.78 83.22 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.551 176.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.7 -17.96 62.19 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.019 -177.407 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -68.34 -18.33 64.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.914 0.388 . . . . 0.0 110.707 176.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -92.28 -11.43 35.25 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 177.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 391' ' ' LYS . . . . . 0.587 ' HZ2' ' HB3' ' A' ' 391' ' ' LYS . 9.8 mtpm? 56.98 -96.76 0.07 Allowed 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 114.615 -1.175 . . . . 0.0 111.804 -179.427 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -131.67 18.32 4.73 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.935 0.398 . . . . 0.0 111.011 -175.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -81.11 110.0 16.2 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 173.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 394' ' ' GLN . . . . . 0.471 ' O ' ' HG2' ' A' ' 398' ' ' GLU . 64.9 tt0 -65.63 -48.72 71.26 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.316 -175.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -59.94 -42.0 93.05 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.678 0.275 . . . . 0.0 110.887 -176.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 396' ' ' ALA . . . . . 0.565 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -60.45 -39.73 88.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.121 0.486 . . . . 0.0 110.509 177.359 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 12.9 t -69.88 -38.2 76.29 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.377 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 398' ' ' GLU . . . . . 0.471 ' HG2' ' O ' ' A' ' 394' ' ' GLN . 10.9 mm-40 -57.96 -35.31 70.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.407 175.094 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -73.95 -31.46 63.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.623 176.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . 0.565 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 78.7 mt -87.56 0.46 55.57 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.966 -179.523 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . 0.529 ' HA ' ' O ' ' A' ' 405' ' ' CYS . 4.1 tmtp? -56.97 -33.4 67.02 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.242 -178.28 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -66.05 -23.43 66.54 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.225 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 49.4 mttm -94.3 4.43 53.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.815 -174.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 99.84 11.55 43.12 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.756 177.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 405' ' ' CYS . . . . . 0.529 ' O ' ' HA ' ' A' ' 401' ' ' LYS . 90.8 m -94.68 130.68 41.08 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.993 0.425 . . . . 0.0 111.211 -179.679 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 9.5 p -129.93 130.8 66.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.133 178.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 407' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -70.0 125.78 27.75 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-O 121.082 0.467 . . . . 0.0 109.842 177.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -106.35 108.64 20.26 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.501 -178.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 34.5 p -69.57 -25.73 64.13 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.607 -176.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -59.07 -49.87 76.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.63 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 13.2 m -95.26 -12.69 25.79 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.12 -178.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 60.28 68.56 0.76 Allowed 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.583 0.706 . . . . 0.0 110.574 -176.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -170.44 165.61 8.59 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.913 175.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 414' ' ' CYS . . . . . 0.491 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 42.2 t -83.82 116.02 22.53 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 174.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -120.42 158.33 27.43 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.122 -171.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.608 HD11 ' HB3' ' A' ' 383' ' ' LYS . 50.7 tp -70.27 132.1 45.2 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 178.119 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 417' ' ' LYS . . . . . 0.619 ' HD3' HG22 ' A' ' 420' ' ' VAL . 34.1 tttm -74.03 92.66 2.16 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 176.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -62.11 -24.29 67.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.561 0.696 . . . . 0.0 109.839 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 419' ' ' ASP . . . . . 0.486 ' HB3' ' HG2' ' A' ' 417' ' ' LYS . 16.2 t70 -55.31 -59.69 4.44 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.313 -1.312 . . . . 0.0 110.296 174.377 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 420' ' ' VAL . . . . . 0.619 HG22 ' HD3' ' A' ' 417' ' ' LYS . 98.2 t -69.0 -36.72 75.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.672 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . 0.624 ' HE2' ' HA ' ' A' ' 421' ' ' LYS . 0.6 OUTLIER -56.16 -42.49 77.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.809 0.338 . . . . 0.0 111.344 -179.548 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 422' ' ' GLU . . . . . 0.499 ' HG2' ' HE3' ' A' ' 426' ' ' LYS . 35.1 tt0 -77.44 -44.01 30.49 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.557 179.634 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 40.2 mtpt -64.6 -30.51 71.53 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.679 -178.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 63.4 tp -78.62 -34.26 46.75 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.093 0.473 . . . . 0.0 110.138 175.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -64.69 -43.5 93.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.441 -179.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 426' ' ' LYS . . . . . 0.499 ' HE3' ' HG2' ' A' ' 422' ' ' GLU . 17.0 ptpt -76.49 -9.73 58.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.734 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -84.72 -18.36 35.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.707 0.765 . . . . 0.0 109.209 173.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 19.9 m -91.5 25.38 2.65 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.213 -174.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.86 7.42 24.08 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 122.275 -0.266 . . . . 0.0 111.257 179.288 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 61.49 -89.05 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.567 0.747 . . . . 0.0 110.834 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 431' ' ' THR . . . . . 0.43 ' O ' ' HB3' ' A' ' 432' ' ' GLU . 16.7 p -111.68 -63.62 1.39 Allowed 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 175.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 432' ' ' GLU . . . . . 0.43 ' HB3' ' O ' ' A' ' 431' ' ' THR . 15.9 pt-20 172.13 -24.27 0.0 OUTLIER 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 114.71 -1.132 . . . . 0.0 109.479 174.241 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -84.66 62.15 4.6 Favored Glycine 0 C--N 1.316 -0.552 0 CA-C-N 114.886 -1.052 . . . . 0.0 113.352 -175.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -83.4 107.79 16.14 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 172.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 435' ' ' ASP . . . . . 0.57 ' HB3' ' HB2' ' A' ' 439' ' ' ASN . 0.4 OUTLIER -79.53 111.96 16.32 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 177.747 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -96.68 -36.72 10.59 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 27.4 tttp -122.26 -41.56 2.41 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.417 174.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -158.06 136.24 10.86 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.203 178.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 439' ' ' ASN . . . . . 0.57 ' HB2' ' HB3' ' A' ' 435' ' ' ASP . 25.7 t-20 -79.57 -49.74 11.74 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.133 0.492 . . . . 0.0 110.077 176.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 9.8 t -164.79 138.59 5.0 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.259 179.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 15.2 t -76.99 -27.67 54.8 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 177.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . 58.49 -124.42 36.4 Favored Glycine 0 C--N 1.335 0.473 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.484 179.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 18.6 m . . . . . 0 C--O 1.251 1.138 0 CA-C-O 118.527 -0.749 . . . . 0.0 109.722 177.004 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.706 0 N-CA-C 112.638 -0.185 . . . . 0.0 112.638 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 14.4 m -83.56 6.09 21.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.652 0.263 . . . . 0.0 111.379 -176.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -76.04 -23.95 55.16 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 177.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 374' ' ' LYS . . . . . 0.515 ' HZ2' ' HB3' ' A' ' 374' ' ' LYS . 5.4 ttpm? 74.17 118.29 0.05 Allowed 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.278 -0.873 . . . . 0.0 111.317 177.448 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 375' ' ' GLN . . . . . 0.423 ' HA ' ' OE1' ' A' ' 375' ' ' GLN . 6.5 tp60 -151.83 -42.7 0.11 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.307 174.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 60.12 -90.85 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.245 -172.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 377' ' ' THR . . . . . . . . . . . . . 14.5 t 176.49 173.62 0.39 Allowed 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 177.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 378' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -54.97 -60.76 2.93 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 123.443 0.464 . . . . 0.0 111.496 -176.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 379' ' ' SER . . . . . 0.565 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 13.0 p -60.01 -41.48 92.22 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.035 -0.529 . . . . 0.0 112.181 -175.058 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -62.02 -48.78 78.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.619 0.247 . . . . 0.0 111.553 -176.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -64.44 -54.6 30.05 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -174.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 382' ' ' ASN . . . . . 0.481 ' O ' HG13 ' A' ' 386' ' ' ILE . 2.4 p30 -72.99 -35.47 66.87 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.543 -173.253 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 383' ' ' LYS . . . . . 0.697 ' HB3' HD13 ' A' ' 416' ' ' LEU . 13.0 mptt -69.44 -45.72 68.45 Favored 'General case' 0 CA--C 1.515 -0.389 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.593 -179.238 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -55.42 -41.32 72.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.867 0.365 . . . . 0.0 110.261 176.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -63.07 -41.3 99.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.653 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 386' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 382' ' ' ASN . 85.9 mt -67.37 -47.3 81.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.224 0.535 . . . . 0.0 109.843 179.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 57.9 m -61.99 -41.32 97.91 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.854 178.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -74.71 -21.14 59.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.979 -177.447 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -70.9 -19.45 62.6 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.877 0.37 . . . . 0.0 110.889 175.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -86.08 -13.89 45.94 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 176.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp 54.87 -115.3 0.94 Allowed 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 114.361 -1.291 . . . . 0.0 112.394 177.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 392' ' ' ASP . . . . . 0.566 ' HA ' ' HA ' ' A' ' 413' ' ' LYS . 3.9 m-20 -115.3 16.48 16.8 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.987 -171.178 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 52.6 t-20 -87.66 111.95 21.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.88 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 394' ' ' GLN . . . . . 0.516 ' HA ' ' CD1' ' A' ' 407' ' ' PHE . 64.3 tt0 -61.17 -50.59 72.53 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.235 -179.189 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . 0.429 ' HA ' ' HD3' ' A' ' 395' ' ' LYS . 66.6 mmtt -65.68 -40.29 92.22 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.7 -174.34 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 396' ' ' ALA . . . . . 0.527 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -60.68 -38.7 85.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.081 0.467 . . . . 0.0 110.189 176.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 32.4 t -69.14 -45.31 70.42 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.479 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 398' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' A' ' 394' ' ' GLN . 42.5 mt-10 -57.79 -31.28 66.4 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.07 178.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -67.81 -56.96 7.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.872 178.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 1.6 pp -85.4 11.8 9.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.024 0.44 . . . . 0.0 111.605 -177.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . 0.416 ' HG2' ' O ' ' A' ' 405' ' ' CYS . 1.7 tmtp? -57.09 -30.3 64.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.131 176.088 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -63.13 -26.89 69.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.354 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -77.28 -63.49 1.36 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.782 -176.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 179.64 25.81 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.148 -1.025 . . . . 0.0 112.555 177.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 405' ' ' CYS . . . . . 0.504 ' HB3' ' SG ' ' A' ' 414' ' ' CYS . 79.6 m -118.14 149.58 40.81 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.783 -176.655 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 10.3 p -142.08 137.9 30.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 176.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 407' ' ' PHE . . . . . 0.516 ' CD1' ' HA ' ' A' ' 394' ' ' GLN . 23.6 t80 -75.62 124.79 27.83 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-O 121.343 0.592 . . . . 0.0 110.093 -179.443 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 28.8 t30 -102.88 109.74 21.41 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.69 -178.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 1.8 p -68.46 -18.37 64.4 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.837 -0.62 . . . . 0.0 112.127 -175.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -67.16 -55.06 15.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.21 0.528 . . . . 0.0 110.015 174.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 8.6 t -88.81 7.31 34.73 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.328 -176.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 45.7 33.05 1.34 Allowed 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.218 1.007 . . . . 0.0 112.626 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 413' ' ' LYS . . . . . 0.566 ' HA ' ' HA ' ' A' ' 392' ' ' ASP . 0.1 OUTLIER -149.03 176.58 10.33 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 121.077 -0.249 . . . . 0.0 110.616 -177.58 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 414' ' ' CYS . . . . . 0.504 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 49.9 t -94.81 125.71 39.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.289 -178.153 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -130.3 175.0 9.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.204 0.526 . . . . 0.0 111.402 -177.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.697 HD13 ' HB3' ' A' ' 383' ' ' LYS . 26.8 tp -76.01 129.31 36.67 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.922 -178.194 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.8 -15.98 62.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.284 -179.103 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . 0.402 ' H ' ' HG ' ' A' ' 416' ' ' LEU . 27.6 ttmt -72.76 -39.71 66.59 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 176.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -59.04 -45.28 91.15 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.78 -1.1 . . . . 0.0 109.649 175.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 420' ' ' VAL . . . . . 0.45 ' O ' ' HG ' ' A' ' 424' ' ' LEU . 61.8 t -64.82 -51.12 71.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 114.997 -1.001 . . . . 0.0 110.438 179.406 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 17.3 ttmt -62.6 -34.95 78.03 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.085 -177.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -61.03 -43.05 99.47 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.665 -178.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 31.7 mtmm -78.17 -18.75 55.15 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 120.847 0.356 . . . . 0.0 111.856 178.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 424' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 420' ' ' VAL . 87.2 mt -83.82 -44.5 14.28 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.839 0.352 . . . . 0.0 110.164 177.204 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -58.73 -57.48 12.81 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.34 176.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 426' ' ' LYS . . . . . 0.45 ' C ' ' H ' ' A' ' 428' ' ' SER . 22.7 ttmm 68.57 149.81 0.07 Allowed 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 115.161 -0.927 . . . . 0.0 112.389 174.111 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . 0.467 ' C ' ' H ' ' A' ' 429' ' ' LYS . 7.0 tp10 72.71 -23.02 0.21 Allowed 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 114.916 -1.038 . . . . 0.0 112.117 177.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 428' ' ' SER . . . . . 0.45 ' H ' ' C ' ' A' ' 426' ' ' LYS . 14.7 m -76.02 37.29 0.15 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.296 0.569 . . . . 0.0 110.463 176.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 429' ' ' LYS . . . . . 0.467 ' H ' ' C ' ' A' ' 427' ' ' GLU . 23.1 pttm -77.82 -17.42 57.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.485 -178.386 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 73.56 152.34 0.13 Allowed 'General case' 0 C--O 1.232 0.147 0 CA-C-O 121.707 0.765 . . . . 0.0 111.227 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 431' ' ' THR . . . . . . . . . . . . . 25.0 m -148.65 81.12 1.45 Allowed 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.137 177.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -100.88 -0.07 37.52 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.1 -174.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . 0.415 ' O ' ' HB3' ' A' ' 434' ' ' LYS . . . -120.81 93.27 0.52 Allowed Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.907 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 434' ' ' LYS . . . . . 0.415 ' HB3' ' O ' ' A' ' 433' ' ' GLY . 45.4 tptt 72.96 125.06 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.643 0.735 . . . . 0.0 111.459 179.655 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 435' ' ' ASP . . . . . 0.505 ' HB2' ' HB3' ' A' ' 439' ' ' ASN . 6.3 p-10 -69.22 152.4 45.12 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.502 178.118 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -86.38 84.69 7.39 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.409 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.75 77.55 0.32 Allowed 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.535 169.621 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . 54.98 60.9 3.2 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.953 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 439' ' ' ASN . . . . . 0.505 ' HB3' ' HB2' ' A' ' 435' ' ' ASP . 27.9 t-20 -69.47 -47.3 64.39 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.101 -179.676 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 15.1 t -155.66 142.27 18.75 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.959 0.409 . . . . 0.0 110.435 179.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 21.5 m -154.58 139.27 17.03 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.867 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . 136.74 15.4 0.84 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.447 -0.882 . . . . 0.0 113.012 177.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 48.6 m . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.567 -0.73 . . . . 0.0 110.363 178.517 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.574 0 N-CA-C 112.293 -0.323 . . . . 0.0 112.293 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 47.8 t -121.54 99.3 6.39 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.738 0.304 . . . . 0.0 110.397 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -111.04 78.52 1.12 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.365 0.602 . . . . 0.0 110.139 176.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 374' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -89.85 128.63 36.21 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.062 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 375' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -138.01 109.23 6.85 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.804 0.335 . . . . 0.0 110.508 -176.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 68.04 171.65 0.28 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.518 178.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 377' ' ' THR . . . . . . . . . . . . . 9.9 t -124.29 175.32 7.15 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.464 -174.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 378' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -48.28 -52.51 21.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 114.855 -1.066 . . . . 0.0 112.304 -177.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 379' ' ' SER . . . . . 0.624 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 12.3 m -55.27 -53.69 52.94 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.826 -175.467 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -67.85 -34.61 77.03 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.778 0.323 . . . . 0.0 111.307 -178.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -68.08 -53.13 27.76 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.344 -176.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 382' ' ' ASN . . . . . 0.532 ' O ' HG13 ' A' ' 386' ' ' ILE . 1.6 p30 -73.34 -30.25 63.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 -175.355 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 383' ' ' LYS . . . . . 0.624 ' HB2' ' O ' ' A' ' 379' ' ' SER . 11.8 tptt -67.08 -48.65 67.56 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 121.348 0.595 . . . . 0.0 109.686 -177.296 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 384' ' ' GLU . . . . . 0.416 ' HA ' ' HB2' ' A' ' 416' ' ' LEU . 8.8 tp10 -60.54 -39.4 87.77 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.915 -1.039 . . . . 0.0 110.348 178.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 2.0 tmtm? -62.7 -38.53 90.77 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.237 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 386' ' ' ILE . . . . . 0.532 HG13 ' O ' ' A' ' 382' ' ' ASN . 89.2 mt -61.75 -40.02 85.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.543 0.687 . . . . 0.0 109.898 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 32.8 m -71.62 -40.45 69.79 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.787 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.53 -17.47 63.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.446 -179.539 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -68.17 -19.62 64.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.884 0.373 . . . . 0.0 111.096 176.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 390' ' ' ALA . . . . . 0.402 ' HB2' HD21 ' A' ' 400' ' ' LEU . . . -87.32 -22.05 25.35 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.282 0.563 . . . . 0.0 109.745 177.297 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 90.7 mttt 61.29 -96.64 0.06 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 114.802 -1.09 . . . . 0.0 111.925 176.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 392' ' ' ASP . . . . . 0.433 ' HA ' ' HA ' ' A' ' 413' ' ' LYS . 9.1 p-10 -122.15 2.54 9.82 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.931 0.396 . . . . 0.0 110.755 -176.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -80.47 106.25 12.34 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.962 0.41 . . . . 0.0 110.09 -176.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -61.17 -42.05 97.88 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.181 -179.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 18.3 mtpp -61.96 -50.56 71.63 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 -178.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 396' ' ' ALA . . . . . 0.606 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -60.18 -37.48 80.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.623 -179.635 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . 0.441 ' HA ' HD13 ' A' ' 400' ' ' LEU . 42.5 t -62.82 -51.87 65.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.543 179.182 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -63.13 -18.23 63.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.249 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -75.69 -45.96 33.91 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-O 120.771 0.319 . . . . 0.0 110.744 175.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 1.4 pp -97.56 15.07 24.42 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.426 0.631 . . . . 0.0 110.805 -179.131 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 3.3 tmtp? -51.65 -25.73 7.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.621 -1.172 . . . . 0.0 112.014 178.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -62.06 -23.14 66.31 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.351 -0.84 . . . . 0.0 112.14 -174.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 403' ' ' LYS . . . . . 0.469 ' HD2' ' N ' ' A' ' 403' ' ' LYS . 11.1 mptt -88.58 -4.13 58.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.757 0.313 . . . . 0.0 111.708 -173.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 111.63 8.9 22.15 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.949 -0.643 . . . . 0.0 111.54 -179.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 54.3 m -87.09 126.83 35.02 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.219 -0.49 . . . . 0.0 110.837 -177.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 406' ' ' VAL . . . . . 0.444 HG22 ' HD3' ' A' ' 417' ' ' LYS . 28.3 m -124.01 146.11 30.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 176.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 407' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -83.63 128.42 34.51 Favored 'General case' 0 N--CA 1.435 -1.218 0 C-N-CA 120.305 -0.558 . . . . 0.0 109.763 177.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -104.12 103.86 13.71 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.295 -179.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 34.1 p -66.75 -27.09 67.32 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.935 -173.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -59.21 -56.72 18.5 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.119 0.485 . . . . 0.0 110.624 -179.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 23.2 t -88.23 -11.04 47.8 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.767 -177.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 59.52 73.04 0.5 Allowed 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.65 0.738 . . . . 0.0 110.058 -173.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 413' ' ' LYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 392' ' ' ASP . 22.0 ptmt -165.91 158.87 15.27 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.098 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 414' ' ' CYS . . . . . . . . . . . . . 46.3 t -99.52 127.05 45.58 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 171.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -139.91 160.48 39.82 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.613 HD21 ' HB3' ' A' ' 383' ' ' LYS . 34.9 tp -68.97 125.62 27.23 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 176.134 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 417' ' ' LYS . . . . . 0.636 ' HE2' ' HB3' ' A' ' 419' ' ' ASP . 18.9 tptm -71.24 84.03 0.76 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 176.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 24.9 mtmm -62.55 -24.8 67.71 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.663 -175.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 419' ' ' ASP . . . . . 0.636 ' HB3' ' HE2' ' A' ' 417' ' ' LYS . 2.7 t70 -59.71 -54.1 50.32 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.603 -1.181 . . . . 0.0 111.092 175.421 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 91.8 t -78.39 -31.93 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.231 -178.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . 0.742 ' HA ' ' HE2' ' A' ' 421' ' ' LYS . 0.6 OUTLIER -55.86 -46.31 78.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.941 176.176 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -61.81 -46.31 90.07 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.619 176.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 423' ' ' LYS . . . . . 0.599 ' HG3' ' O ' ' A' ' 419' ' ' ASP . 55.5 mttm -64.49 -21.65 66.74 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.037 0.446 . . . . 0.0 111.478 -178.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 41.6 tp -82.52 -36.52 26.29 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.586 -178.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 425' ' ' GLU . . . . . 0.427 ' OE2' ' HG3' ' A' ' 421' ' ' LYS . 8.5 pt-20 -101.82 16.79 24.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.984 0.421 . . . . 0.0 110.854 178.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 56.2 mttm 29.82 -84.61 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.846 1.658 . . . . 0.0 115.435 162.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -123.71 -87.42 0.63 Allowed 'General case' 0 CA--C 1.534 0.33 0 O-C-N 122.399 -0.188 . . . . 0.0 111.12 -172.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 14.3 p -77.59 -59.65 2.69 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 173.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 429' ' ' LYS . . . . . 0.472 ' HD3' ' HA ' ' A' ' 429' ' ' LYS . 65.5 mmtt -139.12 -111.63 0.16 Allowed 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 114.721 -1.127 . . . . 0.0 109.044 165.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -95.32 -2.97 48.19 Favored 'General case' 0 C--N 1.314 -0.936 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.598 -175.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 431' ' ' THR . . . . . . . . . . . . . 8.3 m 64.72 10.23 5.84 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.306 174.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 61.29 -173.78 0.13 Allowed 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.867 179.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -117.54 -75.51 0.53 Allowed Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.623 -0.798 . . . . 0.0 111.463 176.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? -166.2 -177.73 4.26 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 177.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 435' ' ' ASP . . . . . 0.466 ' CG ' ' H ' ' A' ' 436' ' ' GLU . 23.2 p-10 -65.66 -63.98 0.97 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.464 178.703 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 436' ' ' GLU . . . . . 0.53 ' HA ' ' OE2' ' A' ' 436' ' ' GLU . 0.4 OUTLIER 54.52 -93.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 123.916 0.886 . . . . 0.0 111.561 179.799 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 437' ' ' LYS . . . . . 0.456 ' H ' ' HB3' ' A' ' 436' ' ' GLU . 39.6 ttmt -98.24 -65.39 0.96 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.054 0.454 . . . . 0.0 110.171 177.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -105.91 119.69 39.84 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.775 -178.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -84.96 139.32 31.9 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 178.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 6.9 p -72.41 100.91 2.79 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.231 0.538 . . . . 0.0 111.721 -174.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 21.8 m -75.71 -50.96 13.83 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.141 177.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . -177.31 135.83 2.9 Favored Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.064 179.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 71.1 m . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.154 -0.927 . . . . 0.0 110.084 178.283 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.634 0 N-CA-C 112.196 -0.361 . . . . 0.0 112.196 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 4.9 m -111.97 -4.07 14.63 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.739 0.304 . . . . 0.0 110.371 -178.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 373' ' ' LYS . . . . . 0.413 ' HB3' ' HE2' ' A' ' 373' ' ' LYS . 43.6 mtpt 62.17 18.89 10.48 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.35 -175.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 374' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -169.98 128.62 0.91 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.022 -178.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 375' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -66.38 105.72 1.53 Allowed 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 177.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -67.84 122.14 17.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.43 -179.008 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 377' ' ' THR . . . . . . . . . . . . . 18.2 m 68.15 75.87 0.27 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.864 0.84 . . . . 0.0 109.931 -174.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 378' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -60.43 -30.94 69.95 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.757 -1.111 . . . . 0.0 111.007 -177.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 1.5 m -57.17 -53.21 60.67 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 121.228 0.537 . . . . 0.0 110.78 178.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -63.64 -39.61 94.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.011 0.434 . . . . 0.0 110.511 179.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -63.97 -55.45 22.33 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.815 -177.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 382' ' ' ASN . . . . . 0.601 ' O ' HG13 ' A' ' 386' ' ' ILE . 0.1 OUTLIER -72.04 -13.42 61.6 Favored 'General case' 0 C--O 1.224 -0.285 0 C-N-CA 120.382 -0.527 . . . . 0.0 112.153 -173.229 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 383' ' ' LYS . . . . . 0.418 ' HB3' HD21 ' A' ' 416' ' ' LEU . 3.1 mptp? -70.76 -49.48 46.3 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 171.619 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -63.75 -35.0 79.14 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.873 -1.058 . . . . 0.0 109.345 177.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 42.1 tptt -61.99 -41.63 98.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.085 -0.961 . . . . 0.0 111.332 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 386' ' ' ILE . . . . . 0.601 HG13 ' O ' ' A' ' 382' ' ' ASN . 85.2 mt -63.76 -39.63 86.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 121.384 0.611 . . . . 0.0 109.613 -179.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 387' ' ' CYS . . . . . 0.538 ' O ' ' HB3' ' A' ' 414' ' ' CYS . 58.9 m -63.9 -45.51 89.04 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.622 175.288 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.58 -23.8 66.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 -178.152 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -75.78 -27.66 58.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.575 177.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -83.44 -31.92 26.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.878 0.371 . . . . 0.0 110.645 -177.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt 63.63 -95.84 0.05 OUTLIER 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.467 -0.788 . . . . 0.0 112.286 172.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -118.09 -0.82 11.52 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 120.441 0.163 . . . . 0.0 111.225 -174.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -77.62 93.26 4.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.089 0.471 . . . . 0.0 110.066 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 394' ' ' GLN . . . . . 0.468 ' O ' ' HG2' ' A' ' 398' ' ' GLU . 44.9 tt0 -64.35 -37.42 87.43 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.87 -173.056 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -56.61 -43.5 80.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.606 0.241 . . . . 0.0 111.097 179.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 396' ' ' ALA . . . . . 0.727 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -61.63 -44.8 96.31 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 177.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . 0.54 ' HA ' HD11 ' A' ' 400' ' ' LEU . 85.4 m -61.69 -39.36 91.16 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.939 -1.028 . . . . 0.0 111.622 -179.378 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 398' ' ' GLU . . . . . 0.468 ' HG2' ' O ' ' A' ' 394' ' ' GLN . 27.9 mm-40 -59.04 -36.74 75.51 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.0 0.429 . . . . 0.0 110.531 175.76 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -75.72 -57.3 3.96 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.083 -178.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . 0.727 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 2.5 pp -78.26 6.39 8.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.557 -176.018 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . 0.505 ' HG2' ' O ' ' A' ' 405' ' ' CYS . 8.3 tmtm? -58.57 -33.67 70.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.389 0.614 . . . . 0.0 109.569 173.613 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -80.24 -2.66 46.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.641 -178.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -106.15 14.83 27.14 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.18 0.514 . . . . 0.0 110.455 -178.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 93.79 65.64 1.05 Allowed Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.544 -179.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 405' ' ' CYS . . . . . 0.505 ' O ' ' HG2' ' A' ' 401' ' ' LYS . 8.1 t -170.38 167.55 8.28 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 -179.385 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 12.1 p -162.11 137.71 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 172.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 407' ' ' PHE . . . . . 0.494 ' HD2' ' SG ' ' A' ' 397' ' ' CYS . 25.5 t80 -70.65 123.7 22.5 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 177.196 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -98.72 108.19 20.82 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 18.8 p -76.5 -13.37 60.1 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.628 -175.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -69.54 -44.99 69.83 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.731 -177.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 12.9 p -103.39 -1.45 28.58 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.256 0.55 . . . . 0.0 109.942 174.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 4.2 t30 55.65 70.43 0.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.77 -1.105 . . . . 0.0 110.943 -179.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -162.02 155.16 20.53 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.562 179.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 414' ' ' CYS . . . . . 0.538 ' HB3' ' O ' ' A' ' 387' ' ' CYS . 0.1 OUTLIER -69.87 117.83 11.95 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.667 168.186 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -135.46 141.37 45.35 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.053 0.454 . . . . 0.0 110.955 -176.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.525 HD22 ' HD3' ' A' ' 421' ' ' LYS . 19.3 tp -72.4 130.56 41.0 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 175.355 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 44.2 tptt -78.11 78.87 4.58 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.657 0.742 . . . . 0.0 109.098 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . 0.58 ' O ' ' HB2' ' A' ' 422' ' ' GLU . 51.4 mtpt -72.65 -16.2 61.71 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.476 -1.238 . . . . 0.0 111.863 -170.595 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -63.17 -64.58 0.87 Allowed 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.651 0.739 . . . . 0.0 109.685 173.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 420' ' ' VAL . . . . . 0.415 ' O ' HD21 ' A' ' 424' ' ' LEU . 44.4 t -61.45 -42.75 95.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 114.715 -1.129 . . . . 0.0 110.372 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . 0.525 ' HD3' HD22 ' A' ' 416' ' ' LEU . 15.2 ttpp -60.62 -32.05 71.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.628 -179.451 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 422' ' ' GLU . . . . . 0.58 ' HB2' ' O ' ' A' ' 418' ' ' LYS . 6.5 tp10 -66.62 -52.25 47.19 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.395 -177.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 18.0 ttpp -75.45 -21.56 58.03 Favored 'General case' 0 C--O 1.225 -0.19 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.498 -176.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 424' ' ' LEU . . . . . 0.415 HD21 ' O ' ' A' ' 420' ' ' VAL . 3.9 mm? -78.45 -45.47 22.11 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.196 0.522 . . . . 0.0 110.108 177.198 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 425' ' ' GLU . . . . . 0.624 ' HG2' ' HG3' ' A' ' 426' ' ' LYS . 39.4 tt0 -61.57 -53.73 52.43 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.465 174.265 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 426' ' ' LYS . . . . . 0.624 ' HG3' ' HG2' ' A' ' 425' ' ' GLU . 27.6 mtmm -133.64 92.07 2.93 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.011 -179.283 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -74.5 -22.05 59.26 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 176.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 428' ' ' SER . . . . . 0.617 ' HB3' ' HG3' ' A' ' 432' ' ' GLU . 75.6 m 55.96 75.94 0.31 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 114.746 -1.115 . . . . 0.0 112.311 174.388 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -137.06 -0.17 2.3 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.91 177.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -88.14 -80.17 0.28 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.998 0.427 . . . . 0.0 110.573 -176.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 431' ' ' THR . . . . . . . . . . . . . 18.2 m -155.59 79.68 1.02 Allowed 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 178.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 432' ' ' GLU . . . . . 0.617 ' HG3' ' HB3' ' A' ' 428' ' ' SER . 2.1 mm-40 -106.55 174.55 5.84 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.353 -169.657 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 108.27 -81.83 0.29 Allowed Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 121.236 -0.507 . . . . 0.0 112.162 174.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -93.22 102.41 14.7 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.988 0.423 . . . . 0.0 110.103 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 435' ' ' ASP . . . . . 0.507 ' HB3' ' O ' ' A' ' 438' ' ' ALA . 36.7 m-20 -70.0 104.05 2.44 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.583 177.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -64.2 -80.26 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.861 -174.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 35.5 mtmm -81.99 -62.07 1.73 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.028 0.442 . . . . 0.0 109.833 -179.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . 0.507 ' O ' ' HB3' ' A' ' 435' ' ' ASP . . . -137.49 -68.31 0.47 Allowed 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 175.183 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 65.05 -1.18 0.91 Allowed 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.436 172.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 41.4 p -88.95 174.92 7.65 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.86 0.362 . . . . 0.0 110.823 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 2.0 m -82.54 -8.02 59.62 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.346 0.593 . . . . 0.0 110.618 178.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . -83.95 68.64 3.49 Favored Glycine 0 N--CA 1.45 -0.419 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.748 -176.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 66.1 m . . . . . 0 C--O 1.251 1.141 0 CA-C-O 118.267 -0.873 . . . . 0.0 109.655 176.54 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.697 0 N-CA-C 112.057 -0.417 . . . . 0.0 112.057 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 21.1 m -71.3 -32.73 68.98 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.804 0.335 . . . . 0.0 111.013 -176.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -108.28 -55.82 2.33 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.852 0.358 . . . . 0.0 110.526 178.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 374' ' ' LYS . . . . . . . . . . . . . 15.0 ptmm? -109.91 158.29 18.35 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.482 -174.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 375' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 66.15 112.88 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.349 -0.841 . . . . 0.0 112.211 178.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -84.04 77.69 9.89 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.439 0.638 . . . . 0.0 109.348 176.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 377' ' ' THR . . . . . . . . . . . . . 20.9 p -88.07 -1.27 57.9 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.801 -177.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 378' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -45.7 -48.35 15.12 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.69 -0.687 . . . . 0.0 112.009 -177.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 379' ' ' SER . . . . . 0.47 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 5.9 m -55.87 -60.35 3.59 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.283 -179.04 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -67.7 -34.99 77.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.395 -177.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -66.38 -56.96 8.54 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.663 -176.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 382' ' ' ASN . . . . . 0.557 ' O ' HG13 ' A' ' 386' ' ' ILE . 1.2 p30 -66.91 -32.09 73.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.322 -175.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 383' ' ' LYS . . . . . 0.627 ' HB3' HD13 ' A' ' 416' ' ' LEU . 0.3 OUTLIER -70.53 -45.28 65.84 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 -179.462 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 384' ' ' GLU . . . . . 0.497 ' HA ' ' HB2' ' A' ' 416' ' ' LEU . 7.1 tp10 -53.78 -47.68 70.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.67 174.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -60.46 -37.36 80.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.173 -0.921 . . . . 0.0 111.841 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 386' ' ' ILE . . . . . 0.557 HG13 ' O ' ' A' ' 382' ' ' ASN . 77.2 mt -62.93 -42.72 97.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.448 0.642 . . . . 0.0 109.624 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 30.0 m -72.03 -37.53 69.72 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 114.946 -1.024 . . . . 0.0 110.827 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -71.48 -21.68 61.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.832 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -66.05 -14.12 61.16 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 120.787 0.327 . . . . 0.0 111.804 177.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -91.07 -21.54 21.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.087 0.47 . . . . 0.0 110.031 176.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 13.9 mtpp 57.12 -103.98 0.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.25 -0.886 . . . . 0.0 112.561 178.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -103.13 -7.92 20.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.817 -174.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -80.92 94.47 6.51 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.062 0.458 . . . . 0.0 109.809 -177.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -60.87 -46.03 92.22 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.064 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -61.05 -45.23 95.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.033 -175.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 396' ' ' ALA . . . . . 0.521 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -62.25 -36.56 82.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.035 0.445 . . . . 0.0 110.425 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . 0.559 ' HA ' HD11 ' A' ' 400' ' ' LEU . 1.9 t -75.18 -36.37 61.47 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.302 -179.059 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -62.44 -25.16 67.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.937 0.398 . . . . 0.0 110.549 175.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -76.55 -51.23 12.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.858 177.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . 0.559 HD11 ' HA ' ' A' ' 397' ' ' CYS . 1.6 pp -86.66 14.36 7.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.417 0.627 . . . . 0.0 110.593 178.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . 0.596 ' HG3' ' O ' ' A' ' 405' ' ' CYS . 66.0 tttt -59.01 -15.03 11.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.89 175.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -53.43 -27.74 26.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.549 174.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -85.84 -8.61 57.97 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.794 0.331 . . . . 0.0 111.287 -178.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 404' ' ' GLY . . . . . 0.473 ' O ' HD11 ' A' ' 416' ' ' LEU . . . 99.01 52.61 1.25 Allowed Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.878 -0.677 . . . . 0.0 111.919 -177.301 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 405' ' ' CYS . . . . . 0.596 ' O ' ' HG3' ' A' ' 401' ' ' LYS . 92.1 m -115.91 117.73 30.98 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.905 0.383 . . . . 0.0 110.777 -177.349 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 57.3 t -117.12 116.52 52.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.189 -177.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 407' ' ' PHE . . . . . 0.799 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 26.5 t80 -61.06 121.05 11.49 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 175.347 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 408' ' ' ASN . . . . . 0.49 ' ND2' ' HB3' ' A' ' 410' ' ' GLU . 65.5 t30 -109.74 105.6 14.91 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.41 -173.181 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 10.6 p -62.52 -21.29 65.42 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.042 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 410' ' ' GLU . . . . . 0.49 ' HB3' ' ND2' ' A' ' 408' ' ' ASN . 26.6 tp10 -58.08 -39.75 79.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.527 176.537 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 15.2 m -106.48 -9.76 16.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.085 179.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 7.8 t30 71.98 15.84 5.55 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 121.813 0.816 . . . . 0.0 110.33 178.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -136.29 162.08 33.99 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 178.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 414' ' ' CYS . . . . . 0.799 ' HA ' ' HA ' ' A' ' 407' ' ' PHE . 16.4 t -82.28 128.66 34.42 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 120.234 -0.587 . . . . 0.0 109.559 176.467 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -124.24 174.69 7.53 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.842 -177.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.627 HD13 ' HB3' ' A' ' 383' ' ' LYS . 57.9 tp -63.88 152.52 39.5 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.152 176.288 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 417' ' ' LYS . . . . . 0.472 ' HG2' ' HB3' ' A' ' 419' ' ' ASP . 87.2 tttt -47.22 104.45 0.05 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.554 176.102 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . 0.639 ' HA ' ' HB2' ' A' ' 421' ' ' LYS . 58.1 pttt -72.7 -3.41 24.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 112.031 -173.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 419' ' ' ASP . . . . . 0.472 ' HB3' ' HG2' ' A' ' 417' ' ' LYS . 2.4 t70 -64.52 -43.73 93.11 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 168.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 420' ' ' VAL . . . . . 0.415 ' HA ' ' HG2' ' A' ' 423' ' ' LYS . 46.4 t -77.59 -37.93 25.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.265 178.582 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . 0.639 ' HB2' ' HA ' ' A' ' 418' ' ' LYS . 27.9 mtpp -60.42 -43.67 96.52 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.933 178.533 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -60.58 -57.25 13.54 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.716 177.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 423' ' ' LYS . . . . . 0.415 ' HG2' ' HA ' ' A' ' 420' ' ' VAL . 20.1 ptmt -66.27 -16.65 64.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.269 -0.423 . . . . 0.0 112.055 -173.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 57.7 tp -88.44 -42.91 11.84 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.756 0.313 . . . . 0.0 111.038 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -91.62 -7.1 51.01 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.322 -173.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -68.53 135.51 51.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.982 0.42 . . . . 0.0 110.575 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -117.75 -72.83 0.67 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.451 176.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 5.9 p -129.16 77.59 1.8 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.226 0.536 . . . . 0.0 110.793 -178.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -106.9 -26.25 11.3 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.259 176.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -151.59 144.97 24.78 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 431' ' ' THR . . . . . . . . . . . . . 21.0 p -117.11 -52.94 2.49 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.28 -177.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 432' ' ' GLU . . . . . 0.479 ' HB3' ' HG2' ' A' ' 434' ' ' LYS . 8.6 tp10 -164.81 -2.34 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.149 0.5 . . . . 0.0 110.945 -177.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 59.77 26.36 62.64 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 121.143 -0.551 . . . . 0.0 112.427 -173.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 434' ' ' LYS . . . . . 0.479 ' HG2' ' HB3' ' A' ' 432' ' ' GLU . 61.7 pttt -104.43 -4.87 22.24 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 122.971 -0.135 . . . . 0.0 110.719 -178.18 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 21.7 t70 65.88 119.75 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.364 0 O-C-N 123.908 0.755 . . . . 0.0 111.268 -174.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.42 87.74 6.12 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.092 -176.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 58.3 mttp 57.71 45.01 19.6 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.446 176.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . 63.65 79.63 0.25 Allowed 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.031 -175.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -67.97 130.51 43.18 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.36 -176.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 9.3 t -173.03 161.21 4.35 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.456 -177.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 46.2 p -75.24 -15.1 60.56 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.179 0.514 . . . . 0.0 110.293 175.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . 145.11 -64.3 0.46 Allowed Glycine 0 N--CA 1.445 -0.765 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 11.5 m . . . . . 0 C--O 1.251 1.14 0 CA-C-O 118.648 -0.691 . . . . 0.0 109.517 176.663 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.687 0 N-CA-C 111.697 -0.561 . . . . 0.0 111.697 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 25.0 m -75.32 93.5 2.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.108 0.48 . . . . 0.0 110.556 -179.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 57.3 tttp -154.75 -69.74 0.13 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.986 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 374' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -176.66 149.71 0.79 Allowed 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 375' ' ' GLN . . . . . 0.427 HE21 ' HB2' ' A' ' 375' ' ' GLN . 8.1 tt0 -158.35 -77.73 0.07 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.842 0.353 . . . . 0.0 111.026 176.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -132.8 172.61 12.35 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 377' ' ' THR . . . . . . . . . . . . . 29.0 p 46.58 40.23 8.04 Favored 'General case' 0 N--CA 1.465 0.286 0 O-C-N 123.63 0.581 . . . . 0.0 110.694 -174.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 378' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.58 -35.73 68.53 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 115.055 -0.975 . . . . 0.0 111.916 -173.256 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 18.1 m -61.62 -48.95 78.58 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.984 0.421 . . . . 0.0 110.382 -179.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -71.03 -37.86 72.6 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.245 176.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -58.77 -54.15 50.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.973 -177.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 382' ' ' ASN . . . . . 0.465 ' O ' HG13 ' A' ' 386' ' ' ILE . 3.4 p30 -73.52 -31.12 63.52 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.921 -175.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 383' ' ' LYS . . . . . 0.424 ' HB3' HD13 ' A' ' 416' ' ' LEU . 13.3 mptt -71.88 -35.14 69.67 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 120.96 0.41 . . . . 0.0 109.962 177.108 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -58.3 -44.27 88.45 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.643 173.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 385' ' ' LYS . . . . . 0.506 ' HD3' ' O ' ' A' ' 385' ' ' LYS . 1.4 tmtp? -63.93 -32.86 74.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.521 -179.623 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 386' ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' ' 382' ' ' ASN . 71.5 mt -63.43 -44.98 99.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.334 0.588 . . . . 0.0 109.541 178.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 35.4 m -71.33 -39.92 71.08 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.588 178.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.02 -19.3 64.89 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 179.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -71.11 -18.4 62.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.87 0.367 . . . . 0.0 110.685 176.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -86.75 -15.95 37.87 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 175.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp 57.53 -141.15 0.78 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 114.662 -1.153 . . . . 0.0 111.152 175.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 392' ' ' ASP . . . . . 0.573 ' HA ' ' HA ' ' A' ' 413' ' ' LYS . 6.7 p-10 -86.16 5.85 32.08 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.086 -179.406 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -84.76 102.03 12.7 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.159 0.504 . . . . 0.0 109.993 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -65.34 -34.45 78.36 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.959 -175.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -57.16 -46.52 82.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.764 178.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 396' ' ' ALA . . . . . 0.468 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -64.57 -40.11 94.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.492 178.594 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 27.2 t -60.71 -48.46 81.68 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.56 179.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -60.98 -27.45 68.3 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.502 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -70.07 -36.88 75.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.935 0.398 . . . . 0.0 111.016 178.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 1.7 pp -111.26 20.6 17.18 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.404 0.621 . . . . 0.0 110.984 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 4.9 tmtp? -54.76 -42.54 71.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.875 -1.057 . . . . 0.0 111.837 -178.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -63.93 -15.39 59.03 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.889 -177.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -80.93 3.15 23.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.747 0.308 . . . . 0.0 111.196 -179.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 100.06 12.59 39.24 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.052 179.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 405' ' ' CYS . . . . . 0.62 ' HB3' ' SG ' ' A' ' 414' ' ' CYS . 96.4 m -98.94 118.28 35.36 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.006 0.431 . . . . 0.0 110.552 -178.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 59.8 t -120.87 125.26 73.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.832 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 407' ' ' PHE . . . . . 0.575 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 26.2 t80 -66.26 123.03 18.83 Favored 'General case' 0 N--CA 1.44 -0.928 0 CA-C-O 121.051 0.453 . . . . 0.0 109.785 177.266 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -99.74 112.98 25.18 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.364 -179.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 21.3 p -71.61 -12.22 61.24 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.624 -174.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -73.53 -60.01 2.45 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 92.0 p -83.74 -12.93 55.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.79 0.329 . . . . 0.0 110.359 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 6.8 t30 61.62 69.39 0.65 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.881 -178.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 413' ' ' LYS . . . . . 0.573 ' HA ' ' HA ' ' A' ' 392' ' ' ASP . 26.0 pttm -174.79 165.89 3.66 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.235 173.219 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 414' ' ' CYS . . . . . 0.62 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 36.6 t -83.19 117.71 23.1 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.03 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -122.47 154.66 37.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.929 0.395 . . . . 0.0 110.861 -176.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.432 ' HG ' ' H ' ' A' ' 418' ' ' LYS . 60.6 tp -65.78 128.45 36.04 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 176.46 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.77 -21.16 65.65 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.958 -0.297 . . . . 0.0 111.192 -174.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . 0.474 ' O ' ' HB2' ' A' ' 422' ' ' GLU . 38.8 mtpt -68.33 -33.68 74.73 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-O 121.042 0.449 . . . . 0.0 110.576 176.426 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 419' ' ' ASP . . . . . 0.428 ' O ' ' HE3' ' A' ' 423' ' ' LYS . 21.7 t70 -81.31 -43.34 19.24 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.84 -178.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 58.5 t -56.85 -52.78 50.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.965 176.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 56.2 mttm -64.91 -30.63 71.64 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.667 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 422' ' ' GLU . . . . . 0.478 ' O ' ' HA ' ' A' ' 426' ' ' LYS . 6.2 tp10 -64.35 -48.62 74.83 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 120.814 -0.355 . . . . 0.0 110.591 -179.177 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 423' ' ' LYS . . . . . 0.428 ' HE3' ' O ' ' A' ' 419' ' ' ASP . 0.0 OUTLIER -83.25 -22.79 32.97 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.824 0.345 . . . . 0.0 111.639 -178.533 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 8.2 tt -82.51 -63.21 1.42 Allowed 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 178.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -74.1 -37.01 64.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.563 -177.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 426' ' ' LYS . . . . . 0.478 ' HA ' ' O ' ' A' ' 422' ' ' GLU . 27.4 mtmm 71.39 128.08 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 122.021 0.915 . . . . 0.0 113.139 175.373 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . 0.479 ' HA ' HG23 ' A' ' 431' ' ' THR . 9.8 pt-20 -72.81 -13.45 61.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.586 -1.188 . . . . 0.0 110.892 179.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 7.3 m -76.48 -1.2 26.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.046 -174.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -88.51 -62.4 1.5 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.076 0.465 . . . . 0.0 110.583 177.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -173.74 -62.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.075 -0.966 . . . . 0.0 108.712 -176.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 431' ' ' THR . . . . . 0.611 ' HB ' ' HD3' ' A' ' 434' ' ' LYS . 81.8 p 55.63 24.29 6.93 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 124.423 1.089 . . . . 0.0 112.738 177.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -83.17 100.66 10.7 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 121.225 0.536 . . . . 0.0 109.751 171.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 133.35 -60.82 0.66 Allowed Glycine 0 N--CA 1.447 -0.613 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.159 -176.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 434' ' ' LYS . . . . . 0.611 ' HD3' ' HB ' ' A' ' 431' ' ' THR . 25.6 mmmt 63.58 87.36 0.11 Allowed 'General case' 0 C--O 1.233 0.214 0 C-N-CA 122.997 0.519 . . . . 0.0 110.414 178.23 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -62.64 -34.03 76.24 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.426 -177.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 21.1 tp10 64.64 -91.47 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.016 177.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -87.33 -73.93 0.46 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.757 0.313 . . . . 0.0 110.85 -176.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -148.18 117.48 6.9 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.203 0.525 . . . . 0.0 110.881 -178.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -129.23 78.7 1.87 Allowed 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 174.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 32.1 m -72.32 116.88 13.27 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.673 -171.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 23.6 m 70.38 89.41 0.1 Allowed 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.064 178.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . 166.07 -108.18 0.31 Allowed Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.563 178.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 46.4 m . . . . . 0 C--O 1.252 1.214 0 C-N-CA 123.095 0.558 . . . . 0.0 110.733 -177.258 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.742 0 N-CA-C 111.924 -0.47 . . . . 0.0 111.924 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 18.1 m -99.28 76.39 2.06 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.275 0.56 . . . . 0.0 110.082 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -88.29 -15.03 36.85 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.308 -177.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 374' ' ' LYS . . . . . . . . . . . . . 97.0 mttt 68.07 29.57 6.26 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.734 -177.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 375' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 68.17 -176.41 0.2 Allowed 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 114.553 -1.203 . . . . 0.0 111.094 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 376' ' ' GLN . . . . . 0.404 ' O ' ' HG2' ' A' ' 376' ' ' GLN . 21.3 tt0 -91.56 -0.96 57.65 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.195 0.521 . . . . 0.0 110.325 -179.093 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 377' ' ' THR . . . . . . . . . . . . . 18.3 p -70.54 -70.07 0.32 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.548 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 378' ' ' GLU . . . . . 0.47 ' CD ' ' H ' ' A' ' 379' ' ' SER . 1.4 tm-20 61.77 175.48 0.12 Allowed 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.004 178.395 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 379' ' ' SER . . . . . 0.47 ' H ' ' CD ' ' A' ' 378' ' ' GLU . 62.6 p -55.34 -28.98 57.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.13 -178.747 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -53.2 -51.54 61.77 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.828 176.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -60.66 -53.6 55.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.843 179.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 382' ' ' ASN . . . . . 0.553 ' O ' HG13 ' A' ' 386' ' ' ILE . 14.4 m-80 -60.46 -50.8 72.14 Favored 'General case' 0 CA--C 1.509 -0.628 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.348 -176.328 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 383' ' ' LYS . . . . . 0.666 ' HB3' HD11 ' A' ' 416' ' ' LEU . 13.8 mptt -64.66 -41.44 96.1 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.847 -174.738 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -58.83 -46.57 87.37 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.657 173.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 30.9 mmtm -72.88 -18.5 61.42 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.543 -0.753 . . . . 0.0 112.603 -176.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 386' ' ' ILE . . . . . 0.553 HG13 ' O ' ' A' ' 382' ' ' ASN . 96.6 mt -72.96 -46.3 52.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 172.624 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 20.2 m -70.26 -40.18 74.55 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.071 177.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -69.12 -29.11 67.1 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.669 -178.452 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -62.63 -20.2 64.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.822 0.344 . . . . 0.0 111.306 174.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -82.28 -31.1 30.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.085 0.469 . . . . 0.0 109.77 179.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 57.1 mttm 60.8 -124.86 0.96 Allowed 'General case' 0 C--O 1.234 0.269 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.559 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -83.92 -16.55 43.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.554 -176.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -72.32 98.58 2.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.849 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 394' ' ' GLN . . . . . 0.491 ' O ' ' HG2' ' A' ' 398' ' ' GLU . 37.4 tt0 -69.98 -41.55 74.28 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.81 -178.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 59.6 mmtt -53.64 -49.55 67.66 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 123.197 0.311 . . . . 0.0 111.397 -179.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -58.19 -41.76 84.62 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-O 121.394 0.616 . . . . 0.0 110.279 178.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . 0.414 ' O ' ' HB2' ' A' ' 401' ' ' LYS . 44.0 t -63.08 -49.2 75.42 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.089 -0.959 . . . . 0.0 110.435 177.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 398' ' ' GLU . . . . . 0.491 ' HG2' ' O ' ' A' ' 394' ' ' GLN . 33.8 mm-40 -49.37 -32.49 11.55 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 123.477 0.486 . . . . 0.0 111.757 178.356 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -67.2 -56.04 11.54 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.901 0.381 . . . . 0.0 110.835 176.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . 0.443 HD11 HG21 ' A' ' 386' ' ' ILE . 2.9 pp -91.06 12.47 19.75 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.129 0.49 . . . . 0.0 111.772 -175.114 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . 0.58 ' HA ' ' HB2' ' A' ' 405' ' ' CYS . 69.5 tttt -68.06 -22.52 64.93 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.79 -171.197 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -66.27 -14.42 61.95 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.324 -176.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -81.93 -8.61 59.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.957 0.408 . . . . 0.0 110.791 178.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 404' ' ' GLY . . . . . 0.443 ' CA ' ' HD2' ' A' ' 417' ' ' LYS . . . 118.13 48.58 0.39 Allowed Glycine 0 N--CA 1.443 -0.857 0 C-N-CA 120.421 -0.895 . . . . 0.0 113.065 176.69 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 405' ' ' CYS . . . . . 0.58 ' HB2' ' HA ' ' A' ' 401' ' ' LYS . 94.2 m -111.4 145.62 38.61 Favored 'General case' 0 C--N 1.319 -0.737 0 O-C-N 122.542 -0.387 . . . . 0.0 110.468 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 7.6 p -138.84 123.37 21.01 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 174.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 407' ' ' PHE . . . . . 0.658 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 16.7 t80 -74.22 113.09 11.02 Favored 'General case' 0 N--CA 1.439 -1.021 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 179.091 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -99.77 109.69 22.11 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.401 -175.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 15.6 p -67.93 -17.17 64.38 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.532 -176.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -76.43 -21.16 56.3 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.281 -178.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 15.3 m -114.29 -7.3 12.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.937 174.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 5.2 t30 55.01 59.52 3.99 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.122 -0.945 . . . . 0.0 110.624 -177.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 4.3 ptpp? -179.28 166.14 1.48 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.942 176.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 414' ' ' CYS . . . . . 0.658 ' HA ' ' HA ' ' A' ' 407' ' ' PHE . 0.5 OUTLIER -83.72 121.37 27.19 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.175 0.512 . . . . 0.0 111.074 178.261 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -116.34 171.85 7.57 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.988 178.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.666 HD11 ' HB3' ' A' ' 383' ' ' LYS . 38.2 tp -75.19 131.36 40.37 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.585 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 417' ' ' LYS . . . . . 0.443 ' HD2' ' CA ' ' A' ' 404' ' ' GLY . 0.0 OUTLIER -67.69 -16.95 64.4 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.873 0.368 . . . . 0.0 111.109 -176.416 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . 0.466 ' H ' ' HG ' ' A' ' 416' ' ' LEU . 18.7 ttpp -58.83 -46.56 87.4 Favored 'General case' 0 C--O 1.222 -0.342 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.603 -177.621 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -65.96 -39.62 90.57 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.59 -177.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 50.0 t -59.51 -46.93 92.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.574 179.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 22.4 ttpp -70.98 -45.3 64.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.292 0.568 . . . . 0.0 110.526 179.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -55.53 -56.02 25.08 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.804 -1.089 . . . . 0.0 111.07 -178.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 423' ' ' LYS . . . . . 0.541 ' HZ3' ' HB2' ' A' ' 423' ' ' LYS . 4.8 ttmp? -67.4 -32.68 73.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.859 -177.367 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 55.5 tp -67.29 -45.08 77.62 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.264 179.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -79.0 -90.52 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.716 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 426' ' ' LYS . . . . . 0.781 ' HB2' ' HG2' ' A' ' 430' ' ' GLU . 28.3 mmtp -160.86 154.29 21.92 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 -172.034 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -93.92 -53.97 3.78 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.305 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 8.8 p -140.52 25.63 2.19 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.93 0.395 . . . . 0.0 110.993 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 429' ' ' LYS . . . . . 0.618 ' HB2' ' HD2' ' A' ' 426' ' ' LYS . 30.5 mmmt -116.24 16.45 15.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.615 -173.596 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . 0.781 ' HG2' ' HB2' ' A' ' 426' ' ' LYS . 21.9 mm-40 -87.59 -65.46 1.01 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 111.682 0.253 . . . . 0.0 111.682 -177.71 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 431' ' ' THR . . . . . . . . . . . . . 5.6 t -158.93 -30.97 0.07 Allowed 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 111.933 0.345 . . . . 0.0 111.933 -174.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 55.54 71.15 0.57 Allowed 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.386 0.612 . . . . 0.0 110.709 -174.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 160.01 144.74 4.06 Favored Glycine 0 N--CA 1.444 -0.777 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.837 -178.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -125.91 -49.79 1.6 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.364 0.126 . . . . 0.0 110.788 -179.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 58.83 40.51 22.77 Favored 'General case' 0 N--CA 1.464 0.235 0 O-C-N 123.665 0.603 . . . . 0.0 110.376 -179.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -54.92 -75.08 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.497 179.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 437' ' ' LYS . . . . . 0.563 ' HB2' ' HZ3' ' A' ' 437' ' ' LYS . 4.9 ttmp? -156.86 116.49 3.47 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 175.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . 69.8 12.54 7.99 Favored 'General case' 0 N--CA 1.464 0.261 0 O-C-N 123.88 0.738 . . . . 0.0 110.266 -178.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -82.94 106.95 15.19 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.389 176.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 27.8 p 48.75 70.47 0.46 Allowed 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.624 0.726 . . . . 0.0 111.292 -174.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 41.6 m -130.92 97.91 4.46 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.65 -179.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . -101.87 -41.6 2.44 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.707 -0.759 . . . . 0.0 111.462 177.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 36.0 m . . . . . 0 C--O 1.247 0.949 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 175.925 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.575 0 N-CA-C 111.951 -0.46 . . . . 0.0 111.951 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 36.1 m 59.63 82.33 0.15 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.43 0.633 . . . . 0.0 112.405 178.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.39 15.24 22.34 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.53 0.681 . . . . 0.0 109.691 171.566 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 374' ' ' LYS . . . . . 0.559 ' HZ1' ' HB2' ' A' ' 374' ' ' LYS . 9.9 mtmp? -86.07 120.54 27.56 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.156 -0.929 . . . . 0.0 109.894 177.656 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 375' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -116.47 135.83 53.5 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.799 0.333 . . . . 0.0 110.375 -177.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 55.4 tp60 -72.7 -30.67 64.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.303 0.573 . . . . 0.0 111.075 -175.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 377' ' ' THR . . . . . . . . . . . . . 24.3 p -81.93 73.02 8.99 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.265 177.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 378' ' ' GLU . . . . . . . . . . . . . 39.6 tp10 -56.09 -47.61 77.69 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.257 -0.883 . . . . 0.0 111.525 -176.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 379' ' ' SER . . . . . 0.506 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 16.4 t -65.63 -46.82 77.81 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.7 -174.558 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -64.5 -40.79 96.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.961 -178.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.21 -57.61 7.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.867 -176.25 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 382' ' ' ASN . . . . . 0.402 ' O ' HG13 ' A' ' 386' ' ' ILE . 2.7 p30 -65.9 -37.95 87.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.042 -174.271 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 383' ' ' LYS . . . . . 0.506 ' HB2' ' O ' ' A' ' 379' ' ' SER . 12.9 mptt -64.81 -47.07 79.37 Favored 'General case' 0 CA--C 1.519 -0.22 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.345 179.601 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 384' ' ' GLU . . . . . 0.433 ' OE1' ' HB2' ' A' ' 415' ' ' GLU . 8.2 mm-40 -52.09 -48.83 64.52 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.303 174.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.18 -46.26 79.44 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.709 -179.304 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 386' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 382' ' ' ASN . 81.7 mt -65.73 -44.27 93.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.342 0.592 . . . . 0.0 110.186 -178.21 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 63.5 m -64.76 -39.04 92.96 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.862 178.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.33 -21.91 62.86 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.763 -179.504 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -65.84 -19.1 65.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.422 177.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -81.99 -24.48 35.42 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.288 0.566 . . . . 0.0 109.503 177.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? 57.73 -105.86 0.28 Allowed 'General case' 0 C--O 1.232 0.175 0 CA-C-N 114.819 -1.082 . . . . 0.0 112.107 175.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -104.46 -13.91 15.89 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.779 -1.1 . . . . 0.0 111.128 -172.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -85.05 99.26 10.91 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.175 -175.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -59.12 -38.19 79.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.173 -177.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . 0.411 ' HD3' ' HA ' ' A' ' 395' ' ' LYS . 71.6 mmtt -61.92 -33.45 74.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.787 -0.188 . . . . 0.0 111.405 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 396' ' ' ALA . . . . . 0.457 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -67.76 -42.16 82.21 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.031 0.444 . . . . 0.0 109.934 175.716 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 38.4 t -60.45 -42.79 96.87 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.753 176.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -57.57 -37.4 73.08 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.414 177.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -65.52 -41.46 93.11 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.436 -178.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 1.5 pp -108.18 16.18 23.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.001 0.429 . . . . 0.0 111.512 -177.675 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . 0.598 ' HG2' ' O ' ' A' ' 405' ' ' CYS . 5.4 tmtt? -58.69 -29.62 66.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.223 -176.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -57.16 -36.25 70.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.602 -179.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.99 7.58 3.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.858 -173.02 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 404' ' ' GLY . . . . . 0.477 ' O ' ' HD2' ' A' ' 417' ' ' LYS . . . 108.9 8.92 27.22 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.838 175.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 405' ' ' CYS . . . . . 0.671 ' HB3' ' SG ' ' A' ' 414' ' ' CYS . 71.0 m -87.99 148.29 24.61 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-O 120.91 0.386 . . . . 0.0 110.696 -178.643 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 8.8 p -148.54 134.47 11.89 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 174.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 407' ' ' PHE . . . . . 0.514 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 29.4 t80 -89.18 127.16 35.72 Favored 'General case' 0 N--CA 1.439 -1.021 0 CA-C-O 121.063 0.459 . . . . 0.0 110.343 -178.19 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -100.07 108.81 21.06 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 175.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.02 -18.85 62.57 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -177.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -67.62 -66.35 0.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.51 178.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 27.0 m -74.81 -18.73 60.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.901 0.382 . . . . 0.0 110.606 177.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 7.3 t30 67.08 74.88 0.32 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.389 178.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -176.29 155.28 1.46 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.736 169.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 414' ' ' CYS . . . . . 0.671 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 52.2 t -91.36 132.94 35.86 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 176.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 415' ' ' GLU . . . . . 0.433 ' HB2' ' OE1' ' A' ' 384' ' ' GLU . 11.3 pt-20 -145.31 174.07 11.43 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.634 0.254 . . . . 0.0 110.758 -179.447 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.641 ' HB3' ' HE3' ' A' ' 418' ' ' LYS . 55.0 tp -72.3 137.3 46.61 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.394 179.232 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 417' ' ' LYS . . . . . 0.625 ' HG2' ' HB ' ' A' ' 420' ' ' VAL . 0.0 OUTLIER -81.56 71.03 8.56 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 122.974 1.369 . . . . 0.0 111.005 -179.07 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . 0.641 ' HE3' ' HB3' ' A' ' 416' ' ' LEU . 2.6 mptt -60.61 -29.55 69.3 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 114.654 -1.157 . . . . 0.0 109.742 179.283 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -59.73 -46.47 89.01 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.655 -1.157 . . . . 0.0 111.083 -177.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 420' ' ' VAL . . . . . 0.625 ' HB ' ' HG2' ' A' ' 417' ' ' LYS . 95.8 t -70.77 -46.57 68.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.196 -178.249 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 19.5 ttpp -64.51 -41.73 96.24 Favored 'General case' 0 CA--C 1.52 -0.197 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.606 -177.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -61.93 -40.97 97.35 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.488 -177.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 40.7 tptt -77.41 -22.2 51.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.976 0.417 . . . . 0.0 111.423 -176.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 42.7 tp -92.88 -41.09 10.25 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.879 -177.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 425' ' ' GLU . . . . . 0.741 ' HG2' ' HA ' ' A' ' 428' ' ' SER . 28.9 tt0 -79.41 -35.36 40.73 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.355 -177.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 99.3 mttt 61.8 -91.25 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.504 -0.771 . . . . 0.0 112.19 177.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -100.87 31.17 3.67 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.566 -172.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 428' ' ' SER . . . . . 0.741 ' HA ' ' HG2' ' A' ' 425' ' ' GLU . 33.2 p 47.6 69.85 0.48 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.751 0.786 . . . . 0.0 110.234 -172.102 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -86.22 32.39 0.62 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.239 -175.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -86.61 22.31 1.94 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.694 -178.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 431' ' ' THR . . . . . . . . . . . . . 8.0 t -79.83 -12.34 59.77 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.002 176.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 62.78 77.37 0.33 Allowed 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.522 -179.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -129.61 99.01 0.45 Allowed Glycine 0 N--CA 1.445 -0.717 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.942 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -98.95 -69.23 0.77 Allowed 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 178.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 61.04 19.6 10.08 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.506 -0.77 . . . . 0.0 113.044 170.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -80.69 124.78 29.31 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.07 -0.344 . . . . 0.0 110.07 -178.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp 59.33 26.11 14.91 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 121.59 0.709 . . . . 0.0 109.863 -174.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -126.67 -65.35 0.97 Allowed 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 114.999 -1.001 . . . . 0.0 110.627 -174.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -95.2 -81.86 0.39 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 10.2 m 51.95 73.12 0.34 Allowed 'General case' 0 CA--C 1.535 0.371 0 O-C-N 123.53 0.519 . . . . 0.0 111.563 178.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 43.8 p 51.27 95.0 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.77 0.828 . . . . 0.0 112.8 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . -92.79 -81.49 1.48 Allowed Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.031 179.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 C--O 1.246 0.891 0 CA-C-O 118.72 -0.657 . . . . 0.0 110.208 179.868 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.655 0 N-CA-C 111.606 -0.598 . . . . 0.0 111.606 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 25.5 t -122.11 135.54 54.81 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 176.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -98.93 2.66 46.72 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.108 0.48 . . . . 0.0 110.185 -178.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 374' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -71.56 -7.09 45.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.167 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 375' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -150.17 107.32 3.59 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 179.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -82.04 -75.84 0.28 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -174.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 377' ' ' THR . . . . . . . . . . . . . 2.4 t -125.95 142.06 51.69 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-O 121.554 0.692 . . . . 0.0 112.528 -174.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 378' ' ' GLU . . . . . . . . . . . . . 3.7 pm0 -59.9 -32.17 70.5 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.175 -1.375 . . . . 0.0 111.18 174.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 379' ' ' SER . . . . . 0.444 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 36.5 m -60.28 -55.63 31.41 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.404 -178.113 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -69.26 -37.2 77.81 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.778 0.323 . . . . 0.0 110.304 178.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -53.03 -60.15 3.64 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.624 -179.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 382' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -74.54 -34.29 62.95 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.135 -175.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 383' ' ' LYS . . . . . 0.612 ' HB3' HD11 ' A' ' 416' ' ' LEU . 5.7 mptp? -61.67 -54.31 44.44 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.151 178.562 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -54.16 -44.25 71.29 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.03 0.443 . . . . 0.0 110.608 176.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.26 -52.88 63.74 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.025 -179.661 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 386' ' ' ILE . . . . . . . . . . . . . 81.6 mt -67.31 -41.96 87.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.309 -175.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 387' ' ' CYS . . . . . 0.481 ' O ' ' HB3' ' A' ' 414' ' ' CYS . 74.0 m -62.32 -43.54 98.6 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.582 176.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -76.98 -20.04 56.58 Favored 'General case' 0 N--CA 1.463 0.225 0 C-N-CA 120.935 -0.306 . . . . 0.0 111.017 -176.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -68.55 -17.02 64.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.922 0.391 . . . . 0.0 111.051 177.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 390' ' ' ALA . . . . . 0.457 ' HB2' HD21 ' A' ' 400' ' ' LEU . . . -82.68 -24.81 33.53 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 177.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 391' ' ' LYS . . . . . 0.411 ' HB3' ' H ' ' A' ' 392' ' ' ASP . 31.6 mmtp 56.76 -145.58 0.6 Allowed 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.238 -0.892 . . . . 0.0 112.549 176.626 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 392' ' ' ASP . . . . . 0.411 ' H ' ' HB3' ' A' ' 391' ' ' LYS . 3.1 m-20 -74.7 -7.66 53.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.291 -175.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 45.9 t-20 -78.28 103.01 7.95 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -68.24 -37.71 81.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.087 -176.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -55.94 -52.14 65.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.013 0.435 . . . . 0.0 110.169 178.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 396' ' ' ALA . . . . . 0.401 ' O ' ' HB2' ' A' ' 399' ' ' ASN . . . -61.21 -35.71 77.93 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.904 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . 0.418 ' HB2' ' HB2' ' A' ' 414' ' ' CYS . 52.7 t -61.49 -50.01 74.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.261 176.264 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 398' ' ' GLU . . . . . 0.497 ' HA ' ' HB2' ' A' ' 401' ' ' LYS . 12.8 mm-40 -62.32 -22.23 65.9 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.395 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 399' ' ' ASN . . . . . 0.401 ' HB2' ' O ' ' A' ' 396' ' ' ALA . 20.4 m-80 -68.2 -52.96 28.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.044 0.45 . . . . 0.0 110.459 175.152 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . 0.457 HD21 ' HB2' ' A' ' 390' ' ' ALA . 2.0 pp -91.64 11.5 24.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.373 0.606 . . . . 0.0 110.796 -179.346 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . 0.497 ' HB2' ' HA ' ' A' ' 398' ' ' GLU . 4.2 tmtp? -54.57 -35.12 62.97 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.534 -178.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -66.77 -10.34 46.33 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.319 -177.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -95.28 15.77 18.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.919 0.39 . . . . 0.0 111.137 -179.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 91.6 22.04 32.55 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.766 174.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 405' ' ' CYS . . . . . 0.439 ' HB3' ' SG ' ' A' ' 414' ' ' CYS . 71.5 m -104.41 131.06 52.2 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.814 0.34 . . . . 0.0 110.404 179.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 79.6 t -128.98 115.8 38.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.328 -0.396 . . . . 0.0 109.956 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 407' ' ' PHE . . . . . 0.748 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 25.9 t80 -58.36 121.15 10.12 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.464 178.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 35.6 t30 -107.29 112.05 24.72 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.419 -179.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 7.8 p -70.47 -11.79 61.15 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.618 -175.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -72.43 -43.37 63.9 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.074 0.464 . . . . 0.0 110.387 176.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 9.4 p -91.72 -10.05 41.53 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.122 0.487 . . . . 0.0 109.978 175.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 4.9 t30 66.57 23.65 10.34 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.726 177.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -142.43 164.53 29.88 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.493 179.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 414' ' ' CYS . . . . . 0.748 ' HA ' ' HA ' ' A' ' 407' ' ' PHE . 17.5 t -67.95 115.1 7.08 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 174.315 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 415' ' ' GLU . . . . . 0.496 ' OE1' ' HG2' ' A' ' 421' ' ' LYS . 21.5 tt0 -113.26 160.76 17.97 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 -174.185 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.612 HD11 ' HB3' ' A' ' 383' ' ' LYS . 35.1 tp -61.29 143.82 54.99 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 172.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 417' ' ' LYS . . . . . 0.513 ' HE3' HG21 ' A' ' 420' ' ' VAL . 57.1 pttt -46.2 134.37 8.62 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 121.259 0.552 . . . . 0.0 111.597 -172.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . 0.64 ' O ' ' HG2' ' A' ' 422' ' ' GLU . 0.0 OUTLIER -57.19 -33.88 67.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.801 -169.444 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -49.27 -63.92 0.96 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.928 -177.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 420' ' ' VAL . . . . . 0.513 HG21 ' HE3' ' A' ' 417' ' ' LYS . 90.4 t -71.98 -32.04 42.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.735 -178.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . 0.496 ' HG2' ' OE1' ' A' ' 415' ' ' GLU . 19.3 tptp -60.83 -48.4 81.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.002 -178.611 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 422' ' ' GLU . . . . . 0.64 ' HG2' ' O ' ' A' ' 418' ' ' LYS . 14.7 mm-40 -64.5 -44.88 89.52 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.006 178.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -62.96 -15.52 56.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.498 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 58.8 tp -87.63 -52.08 5.53 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.923 178.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -89.24 -17.3 29.32 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -172.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -73.96 103.63 4.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.139 0.495 . . . . 0.0 110.375 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -145.19 -34.03 0.35 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.916 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 20.1 m -98.55 80.21 2.56 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.095 0.474 . . . . 0.0 110.681 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 48.0 pttt -103.37 -48.65 3.93 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.212 -0.449 . . . . 0.0 112.027 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . 0.44 ' O ' HG23 ' A' ' 431' ' ' THR . 22.5 tp10 -86.04 93.92 9.11 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.896 -176.412 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 431' ' ' THR . . . . . 0.44 HG23 ' O ' ' A' ' 430' ' ' GLU . 2.1 t 52.43 13.82 0.33 Allowed 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.695 1.198 . . . . 0.0 112.728 179.579 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 62.9 17.61 10.14 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.083 0.553 . . . . 0.0 111.762 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 96.1 149.79 26.09 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.658 -0.782 . . . . 0.0 111.715 -178.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 58.8 tptt 67.81 95.99 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.186 0.517 . . . . 0.0 110.361 -178.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -85.66 -19.36 31.05 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.007 -177.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 57.84 -87.75 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.754 -178.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -164.81 101.23 0.78 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.993 -1.003 . . . . 0.0 108.571 177.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . 65.59 75.98 0.34 Allowed 'General case' 0 C--N 1.329 -0.313 0 O-C-N 123.794 0.684 . . . . 0.0 110.622 -175.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -111.47 106.67 15.64 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.99 178.614 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 29.1 m -128.49 -36.54 1.87 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.726 172.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 21.0 m 59.88 70.72 0.62 Allowed 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.822 177.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . -92.8 103.79 3.1 Favored Glycine 0 N--CA 1.447 -0.577 0 CA-C-N 115.46 -0.791 . . . . 0.0 112.143 -178.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 46.9 m . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.451 -0.785 . . . . 0.0 109.766 178.55 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.863 0 N-CA-C 112.0 -0.44 . . . . 0.0 112.0 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 47.9 m 59.43 -159.54 0.3 Allowed 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 122.454 0.301 . . . . 0.0 110.561 -179.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -73.88 -20.74 60.32 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 177.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 374' ' ' LYS . . . . . . . . . . . . . 64.8 tttm 71.14 93.68 0.08 Allowed 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.447 175.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 375' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -135.7 103.68 5.51 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.07 -0.968 . . . . 0.0 109.524 177.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -116.39 0.12 12.7 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.015 -176.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 377' ' ' THR . . . . . . . . . . . . . 1.3 t -47.52 -60.56 2.45 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 115.157 -0.929 . . . . 0.0 113.356 -172.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 378' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -79.8 -22.72 42.75 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 122.005 -0.435 . . . . 0.0 111.126 -175.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 379' ' ' SER . . . . . 0.474 ' O ' ' HD3' ' A' ' 383' ' ' LYS . 33.1 t -63.69 -61.15 2.5 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.159 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -65.78 -39.58 91.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.888 -179.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -59.42 -55.51 33.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.776 -175.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 382' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.83 -35.19 76.67 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.835 -174.278 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 383' ' ' LYS . . . . . 0.475 ' HB3' HD12 ' A' ' 416' ' ' LEU . 6.1 mptp? -61.22 -53.63 54.46 Favored 'General case' 0 CA--C 1.521 -0.154 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 176.629 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -56.79 -42.37 79.35 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.949 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -60.6 -47.51 85.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.154 -179.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 386' ' ' ILE . . . . . 0.677 HD11 ' HD3' ' A' ' 403' ' ' LYS . 93.1 mt -64.51 -42.6 95.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.061 -177.567 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 61.4 m -62.65 -44.22 96.82 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.754 176.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.47 -17.77 61.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.279 -175.683 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -68.69 -13.64 62.5 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.876 0.37 . . . . 0.0 111.4 176.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -88.11 -18.45 28.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.12 0.486 . . . . 0.0 109.986 176.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 92.6 mttt 54.61 -106.23 0.31 Allowed 'General case' 0 C--O 1.235 0.305 0 CA-C-N 114.802 -1.09 . . . . 0.0 112.613 175.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -107.53 -4.64 18.18 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.182 -173.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -90.73 105.82 18.09 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.3 0.571 . . . . 0.0 110.852 -176.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 394' ' ' GLN . . . . . 0.422 ' HA ' ' CD2' ' A' ' 407' ' ' PHE . 64.9 tt0 -61.25 -41.82 97.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.208 -179.038 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -58.11 -47.56 82.89 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.51 -177.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 396' ' ' ALA . . . . . 0.411 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -64.45 -37.27 86.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.976 178.588 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . 0.474 ' SG ' ' HB2' ' A' ' 407' ' ' PHE . 41.9 t -61.16 -52.67 63.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.646 178.55 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 398' ' ' GLU . . . . . 0.417 ' HA ' ' HB2' ' A' ' 401' ' ' LYS . 63.2 mm-40 -60.76 -24.22 65.58 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.262 -178.703 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -66.84 -59.33 3.63 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.948 0.404 . . . . 0.0 110.607 174.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 2.1 pp -84.17 7.6 18.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.211 0.529 . . . . 0.0 111.311 -176.579 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . 0.537 ' HA ' ' HB2' ' A' ' 405' ' ' CYS . 83.1 tttt -61.4 -20.56 63.19 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.257 -0.883 . . . . 0.0 111.225 -178.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -59.76 -20.5 57.03 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.059 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 403' ' ' LYS . . . . . 0.677 ' HD3' HD11 ' A' ' 386' ' ' ILE . 99.7 mttt -89.63 5.24 46.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.361 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 404' ' ' GLY . . . . . 0.42 ' C ' ' HE3' ' A' ' 417' ' ' LYS . . . 99.84 55.41 1.0 Allowed Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.889 -0.672 . . . . 0.0 113.053 176.009 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 405' ' ' CYS . . . . . 0.537 ' HB2' ' HA ' ' A' ' 401' ' ' LYS . 79.6 m -124.65 172.2 9.46 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.837 0.351 . . . . 0.0 110.727 -179.349 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 7.4 p -158.67 125.75 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.058 173.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 407' ' ' PHE . . . . . 0.474 ' HB2' ' SG ' ' A' ' 397' ' ' CYS . 26.3 t80 -86.75 118.91 26.46 Favored 'General case' 0 N--CA 1.437 -1.103 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 174.545 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -99.68 110.63 23.03 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 1.3 p -66.56 -30.93 71.35 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 111.763 0.283 . . . . 0.0 111.763 -175.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 21.7 tp10 -58.65 -49.44 77.54 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.081 0.467 . . . . 0.0 110.662 176.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 10.4 m -81.54 -21.35 38.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.301 179.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 59.44 61.47 2.01 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.524 -177.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 23.3 pttp -168.88 154.18 6.18 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.347 175.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 414' ' ' CYS . . . . . 0.47 ' HA ' ' HA ' ' A' ' 407' ' ' PHE . 41.9 t -92.75 117.74 30.32 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 176.159 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -130.27 158.33 40.07 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.714 -173.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.475 HD12 ' HB3' ' A' ' 383' ' ' LYS . 39.3 tp -72.23 127.99 34.26 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 170.156 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 417' ' ' LYS . . . . . 0.446 ' O ' ' HG3' ' A' ' 421' ' ' LYS . 0.0 OUTLIER -77.3 37.36 0.2 Allowed 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 121.312 0.577 . . . . 0.0 111.096 -177.674 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . 0.44 ' H ' ' C ' ' A' ' 416' ' ' LEU . 3.7 ptmm? -61.28 -21.73 64.2 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.867 -178.359 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 419' ' ' ASP . . . . . 0.597 ' O ' ' HE3' ' A' ' 423' ' ' LYS . 14.4 p-10 -86.28 -36.23 19.46 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.695 -177.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 420' ' ' VAL . . . . . 0.433 ' O ' ' HB2' ' A' ' 424' ' ' LEU . 58.8 t -61.08 -43.63 96.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 172.518 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . 0.446 ' HG3' ' O ' ' A' ' 417' ' ' LYS . 46.7 mtpt -69.79 -32.56 71.11 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.641 178.234 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 422' ' ' GLU . . . . . 0.417 ' HB2' ' O ' ' A' ' 418' ' ' LYS . 32.7 tt0 -62.92 -49.46 74.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.993 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 423' ' ' LYS . . . . . 0.597 ' HE3' ' O ' ' A' ' 419' ' ' ASP . 0.0 OUTLIER -82.84 -2.03 53.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.934 177.769 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 424' ' ' LEU . . . . . 0.433 ' HB2' ' O ' ' A' ' 420' ' ' VAL . 9.2 tt -86.57 -48.81 8.03 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 174.248 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -71.55 -28.86 64.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.104 176.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 66.0 mttm 63.58 18.64 11.23 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 169.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -85.62 -63.1 1.38 Allowed 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.494 -0.482 . . . . 0.0 110.204 178.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 47.4 m -79.61 90.44 5.15 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.031 0.443 . . . . 0.0 110.221 177.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 429' ' ' LYS . . . . . 0.4 ' C ' ' H ' ' A' ' 431' ' ' THR . 35.9 mtmm -114.77 -23.44 9.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.625 -179.278 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 70.99 -40.86 0.49 Allowed 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.57 0.748 . . . . 0.0 110.773 -175.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 431' ' ' THR . . . . . 0.4 ' H ' ' C ' ' A' ' 429' ' ' LYS . 16.1 m -57.77 -44.28 86.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.634 0.73 . . . . 0.0 109.769 171.265 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -147.99 128.61 14.15 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 114.932 -1.031 . . . . 0.0 109.755 178.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -121.37 -51.01 0.25 Allowed Glycine 0 N--CA 1.449 -0.485 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 175.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 434' ' ' LYS . . . . . 0.47 ' HE2' ' HA ' ' A' ' 436' ' ' GLU . 21.9 ptmt -177.06 170.96 2.17 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 177.341 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -61.93 -35.04 77.23 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 176.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 436' ' ' GLU . . . . . 0.47 ' HA ' ' HE2' ' A' ' 434' ' ' LYS . 0.9 OUTLIER 70.26 -73.45 0.09 Allowed 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.012 -0.994 . . . . 0.0 111.385 172.479 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -154.84 -60.22 0.11 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.868 0.366 . . . . 0.0 110.622 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -137.08 114.41 10.89 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.198 -175.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -139.44 155.68 47.45 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.038 176.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 8.0 m -91.0 -18.52 24.49 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.064 0.459 . . . . 0.0 111.583 -171.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 16.3 m -86.31 156.54 20.19 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.524 -179.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . -73.04 73.36 1.05 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 121.001 -0.619 . . . . 0.0 112.3 176.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 11.4 m . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.513 -0.756 . . . . 0.0 110.012 178.431 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.678 0 N-CA-C 111.663 -0.575 . . . . 0.0 111.663 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 19.4 p -117.4 -76.77 0.57 Allowed 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 120.776 0.322 . . . . 0.0 110.602 179.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 36.0 mtmm -89.89 83.54 6.17 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.285 0.564 . . . . 0.0 111.067 -179.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 374' ' ' LYS . . . . . . . . . . . . . 25.4 mmtm -102.34 2.48 36.86 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.013 172.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 375' ' ' GLN . . . . . 0.515 ' HG2' HG21 ' A' ' 377' ' ' THR . 58.8 tt0 -143.37 91.0 2.22 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.951 -179.144 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -95.08 82.08 3.75 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.362 0.601 . . . . 0.0 109.581 178.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 377' ' ' THR . . . . . 0.515 HG21 ' HG2' ' A' ' 375' ' ' GLN . 3.1 p -85.1 89.26 7.58 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.793 -176.532 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 378' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.87 -35.95 77.52 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.028 0.442 . . . . 0.0 110.359 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 379' ' ' SER . . . . . 0.495 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 16.4 m -62.77 -44.49 96.05 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.645 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -71.4 -40.96 70.17 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.466 178.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -65.13 -50.05 67.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.452 -176.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 382' ' ' ASN . . . . . 0.5 ' O ' HG13 ' A' ' 386' ' ' ILE . 1.7 p30 -68.79 -33.85 74.57 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 121.004 -0.278 . . . . 0.0 110.514 -177.133 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 383' ' ' LYS . . . . . 0.6 ' HB3' HD23 ' A' ' 416' ' ' LEU . 13.0 mptt -68.56 -43.02 77.5 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 178.115 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 384' ' ' GLU . . . . . 0.462 ' HA ' ' HB2' ' A' ' 416' ' ' LEU . 25.5 tt0 -64.0 -38.95 92.95 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.77 177.527 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 58.6 tptt -59.39 -33.52 71.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.789 0.328 . . . . 0.0 110.653 176.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 386' ' ' ILE . . . . . 0.5 HG13 ' O ' ' A' ' 382' ' ' ASN . 83.2 mt -62.73 -44.96 99.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.458 0.647 . . . . 0.0 109.34 176.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 30.8 m -71.08 -38.46 72.42 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.803 -1.089 . . . . 0.0 111.127 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -67.93 -23.73 65.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.703 0.287 . . . . 0.0 110.945 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -72.78 -1.78 17.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.023 0.44 . . . . 0.0 111.096 176.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -101.92 3.86 39.5 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 176.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 391' ' ' LYS . . . . . 0.447 ' HG3' ' H ' ' A' ' 393' ' ' ASN . 4.5 ptpp? 44.15 -151.86 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 114.871 -1.058 . . . . 0.0 113.079 177.119 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 392' ' ' ASP . . . . . 0.631 ' HA ' ' HA ' ' A' ' 413' ' ' LYS . 5.2 p-10 -85.76 6.09 29.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.146 0.498 . . . . 0.0 110.097 178.344 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 393' ' ' ASN . . . . . 0.447 ' H ' ' HG3' ' A' ' 391' ' ' LYS . 19.1 t-20 -80.51 110.23 15.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.862 178.197 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -68.63 -34.06 75.09 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.634 -174.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -58.76 -45.32 90.01 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 177.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 396' ' ' ALA . . . . . 0.445 ' HA ' ' ND2' ' A' ' 399' ' ' ASN . . . -60.04 -44.68 94.5 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.298 176.422 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 9.5 t -59.55 -42.09 91.61 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.194 178.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 398' ' ' GLU . . . . . 0.723 ' HA ' ' HB2' ' A' ' 401' ' ' LYS . 49.3 mm-40 -61.76 -30.82 71.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.131 177.573 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 399' ' ' ASN . . . . . 0.445 ' ND2' ' HA ' ' A' ' 396' ' ' ALA . 89.9 m-20 -63.68 -37.13 86.17 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.033 0.444 . . . . 0.0 110.685 178.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . 0.52 HD11 ' SG ' ' A' ' 405' ' ' CYS . 0.2 OUTLIER -114.44 21.58 14.46 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.344 0.592 . . . . 0.0 111.367 178.497 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . 0.723 ' HB2' ' HA ' ' A' ' 398' ' ' GLU . 20.9 tptm -58.51 -47.65 83.44 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.252 -0.886 . . . . 0.0 111.367 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.51 1.25 17.16 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.462 -175.497 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -97.97 6.21 47.95 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.753 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 113.56 -2.23 24.84 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.683 175.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 405' ' ' CYS . . . . . 0.52 ' SG ' HD11 ' A' ' 400' ' ' LEU . 66.7 m -94.34 140.87 29.24 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.853 0.358 . . . . 0.0 111.064 -177.286 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 8.1 p -132.98 149.37 31.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 178.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 407' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -81.83 133.93 35.37 Favored 'General case' 0 N--CA 1.441 -0.916 0 C-N-CA 120.379 -0.528 . . . . 0.0 110.277 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -98.68 107.18 19.56 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.191 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 14.6 p -82.56 -8.11 59.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.927 0.394 . . . . 0.0 111.561 -177.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -87.62 -51.09 6.09 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.895 -177.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 5.7 m -92.92 -16.02 25.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.745 179.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 12.1 t30 67.74 82.04 0.18 Allowed 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.014 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 413' ' ' LYS . . . . . 0.631 ' HA ' ' HA ' ' A' ' 392' ' ' ASP . 22.5 pttp 177.69 162.1 0.55 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.256 177.617 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 414' ' ' CYS . . . . . . . . . . . . . 40.3 t -83.1 132.18 35.11 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 172.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 62.2 tt0 -139.49 148.36 42.58 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.59 -173.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.6 HD23 ' HB3' ' A' ' 383' ' ' LYS . 25.7 tp -70.46 124.29 23.85 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 173.104 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 417' ' ' LYS . . . . . 0.518 ' HD2' HG23 ' A' ' 420' ' ' VAL . 44.8 pttt -74.12 81.49 1.77 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 122.534 1.159 . . . . 0.0 109.964 176.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . 0.51 ' O ' ' HB2' ' A' ' 422' ' ' GLU . 7.3 ptpt -65.58 -14.98 62.25 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 113.793 -1.549 . . . . 0.0 111.08 -176.309 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -70.52 -43.17 70.18 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.495 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 420' ' ' VAL . . . . . 0.518 HG23 ' HD2' ' A' ' 417' ' ' LYS . 58.5 t -69.94 -43.06 79.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.699 177.451 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -58.51 -42.61 88.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.299 177.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 422' ' ' GLU . . . . . 0.51 ' HB2' ' O ' ' A' ' 418' ' ' LYS . 4.0 tp10 -66.7 -34.64 78.31 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.85 -174.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 423' ' ' LYS . . . . . 0.59 ' O ' ' HE3' ' A' ' 429' ' ' LYS . 32.8 mtmm -71.16 -32.21 68.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.922 0.392 . . . . 0.0 111.032 179.354 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 95.3 mt -75.6 -42.93 50.56 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.097 0.475 . . . . 0.0 110.224 178.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -87.08 4.34 42.5 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.415 -0.812 . . . . 0.0 111.913 -179.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? -64.29 98.44 0.23 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 173.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 62.91 14.34 7.38 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.287 -170.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 5.5 t 43.52 67.17 0.69 Allowed 'General case' 0 C--N 1.341 0.197 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.825 -177.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 429' ' ' LYS . . . . . 0.59 ' HE3' ' O ' ' A' ' 423' ' ' LYS . 21.4 pttp -84.07 -24.3 30.45 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.844 -173.697 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -140.68 112.25 7.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.639 0.257 . . . . 0.0 111.143 -176.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 431' ' ' THR . . . . . . . . . . . . . 38.5 p -102.02 -17.56 16.02 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.545 174.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 64.99 -85.73 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.456 0.702 . . . . 0.0 112.264 177.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -72.75 83.07 0.59 Allowed Glycine 0 C--N 1.312 -0.755 0 CA-C-N 115.405 -0.816 . . . . 0.0 112.565 -177.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 55.7 tttp -104.88 98.8 8.47 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 178.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -81.61 66.44 7.18 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.456 -178.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -80.47 -73.0 0.38 Allowed 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 175.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -141.24 -11.3 0.95 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.109 171.203 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -80.84 14.08 2.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.941 -172.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -85.5 -14.26 46.52 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.148 -178.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 2.0 p -140.65 19.18 2.35 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.787 0.291 . . . . 0.0 111.787 -179.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 17.6 p -87.61 -26.48 23.04 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.919 0.39 . . . . 0.0 111.689 -178.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . -68.75 -35.56 80.41 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 121.033 -0.603 . . . . 0.0 112.61 -177.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 20.0 t . . . . . 0 C--O 1.246 0.878 0 CA-C-O 118.873 -0.584 . . . . 0.0 110.001 179.019 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.764 0 N-CA-C 111.701 -0.56 . . . . 0.0 111.701 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 8.8 t -88.83 56.5 3.76 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.93 0.395 . . . . 0.0 110.926 -176.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm 59.24 27.56 16.63 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.434 174.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 374' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -84.06 111.46 19.33 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.116 0.484 . . . . 0.0 110.479 -179.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 375' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -91.09 25.81 2.35 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.41 -178.616 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 376' ' ' GLN . . . . . 0.408 ' HG3' ' HB2' ' A' ' 379' ' ' SER . 24.5 tt0 -135.09 102.68 5.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.356 -176.57 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 377' ' ' THR . . . . . . . . . . . . . 19.4 p -120.39 -76.68 0.58 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.99 0.424 . . . . 0.0 110.702 178.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 378' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -65.55 -34.61 78.66 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.269 179.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 379' ' ' SER . . . . . 0.429 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 18.2 m -53.0 -50.33 64.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.47 178.383 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -67.24 -44.3 79.79 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.321 178.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -59.24 -53.09 62.25 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.197 -173.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 382' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -80.65 -30.9 36.59 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.739 -0.385 . . . . 0.0 111.352 -172.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 383' ' ' LYS . . . . . 0.61 ' HB3' HD12 ' A' ' 416' ' ' LEU . 6.5 mptp? -68.84 -38.19 79.66 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 175.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 384' ' ' GLU . . . . . 0.402 ' HA ' ' HB2' ' A' ' 416' ' ' LEU . 40.0 tt0 -57.25 -42.44 81.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.267 -0.878 . . . . 0.0 109.908 173.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -60.74 -35.49 76.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.932 178.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 386' ' ' ILE . . . . . . . . . . . . . 83.6 mt -65.32 -45.0 94.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.331 0.586 . . . . 0.0 109.596 178.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 31.7 m -66.61 -37.91 85.86 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.316 177.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -66.64 -25.88 66.79 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.734 178.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -68.07 -19.47 64.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.233 176.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -89.8 -25.45 21.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.115 178.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt 57.77 -132.86 1.24 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.702 176.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 392' ' ' ASP . . . . . 0.541 ' HA ' ' HA ' ' A' ' 413' ' ' LYS . 6.8 m-20 -89.73 13.11 15.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.044 -176.262 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -94.24 106.13 18.11 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.007 0.432 . . . . 0.0 110.254 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -67.91 -37.74 82.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.235 -176.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . 0.949 ' HE2' ' HA ' ' A' ' 395' ' ' LYS . 6.7 mmpt? -54.69 -47.84 73.17 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 123.138 0.273 . . . . 0.0 111.057 177.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 396' ' ' ALA . . . . . 0.611 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -61.7 -42.31 98.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.839 0.352 . . . . 0.0 110.474 177.321 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . 0.508 ' HA ' HD12 ' A' ' 400' ' ' LEU . 25.9 t -60.55 -46.42 90.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.432 178.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -56.34 -35.81 68.04 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.978 177.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -70.8 -38.47 73.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.228 -179.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . 0.611 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 1.3 pp -105.25 20.88 18.12 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.95 0.405 . . . . 0.0 111.43 -179.274 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -52.14 -38.46 57.62 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.759 173.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -62.57 -18.09 61.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.774 -179.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 403' ' ' LYS . . . . . 0.517 ' HD2' ' HB2' ' A' ' 400' ' ' LEU . 93.9 mttt -90.35 6.03 44.84 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.967 0.413 . . . . 0.0 110.805 -177.364 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 94.45 13.92 52.32 Favored Glycine 0 C--N 1.33 0.234 0 C-N-CA 120.936 -0.65 . . . . 0.0 113.133 174.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 405' ' ' CYS . . . . . 0.657 ' HB3' ' SG ' ' A' ' 414' ' ' CYS . 82.5 m -91.53 131.87 36.66 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.883 0.373 . . . . 0.0 110.857 -179.151 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 7.6 p -121.92 135.64 61.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.521 178.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 407' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -90.46 126.93 36.06 Favored 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 177.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 408' ' ' ASN . . . . . 0.495 ' HB3' ' HB2' ' A' ' 411' ' ' SER . 4.5 t-20 -107.1 133.07 52.26 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 177.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 7.7 p -73.3 -28.16 61.95 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.564 0.221 . . . . 0.0 111.428 -179.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -76.12 -49.97 15.92 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 178.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 411' ' ' SER . . . . . 0.495 ' HB2' ' HB3' ' A' ' 408' ' ' ASN . 49.3 m -62.38 -29.31 70.38 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.435 173.222 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 7.4 t30 71.72 9.44 6.27 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.188 178.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 413' ' ' LYS . . . . . 0.709 ' HZ3' ' HB3' ' A' ' 413' ' ' LYS . 1.0 OUTLIER -139.4 170.82 15.24 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.501 -176.141 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 414' ' ' CYS . . . . . 0.657 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 42.6 t -94.74 124.55 38.85 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.922 177.03 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -132.51 166.97 20.84 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 178.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.61 HD12 ' HB3' ' A' ' 383' ' ' LYS . 44.6 tp -64.78 155.39 33.98 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 -178.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 417' ' ' LYS . . . . . 0.408 ' HD3' ' HG ' ' A' ' 416' ' ' LEU . 0.0 OUTLIER -72.51 25.78 0.05 Allowed 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 121.422 0.629 . . . . 0.0 110.799 177.837 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . 0.571 ' H ' ' C ' ' A' ' 416' ' ' LEU . 21.6 pttp -59.26 -29.72 67.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.129 175.255 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -82.6 -28.99 30.47 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.119 179.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 76.4 t -67.43 -46.82 82.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 173.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 18.7 ttmm -62.32 -38.57 89.93 Favored 'General case' 0 C--O 1.22 -0.48 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.377 173.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -59.82 -36.18 76.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 120.972 0.415 . . . . 0.0 110.38 179.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -91.62 -7.84 48.93 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.22 -178.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -99.8 -45.27 5.79 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.223 0.535 . . . . 0.0 109.742 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -80.3 -47.89 13.84 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.397 -179.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt 55.99 -87.68 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 113.129 0.789 . . . . 0.0 113.129 174.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -112.18 -62.96 1.49 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.756 -174.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 16.3 p -122.89 -92.78 0.53 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.567 175.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 429' ' ' LYS . . . . . 0.637 ' HA ' ' HE2' ' A' ' 429' ' ' LYS . 9.1 mmpt? 67.93 -49.29 0.53 Allowed 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.188 0.995 . . . . 0.0 112.549 173.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -65.81 -35.09 79.72 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.14 0.495 . . . . 0.0 110.587 -176.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 431' ' ' THR . . . . . . . . . . . . . 8.9 t -83.88 -2.03 55.64 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.573 -178.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -133.79 94.25 3.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.395 0.617 . . . . 0.0 111.049 -176.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -179.38 -159.29 23.18 Favored Glycine 0 N--CA 1.439 -1.137 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 434' ' ' LYS . . . . . 0.662 ' HB2' ' HZ2' ' A' ' 434' ' ' LYS . 0.1 OUTLIER -118.08 105.69 12.11 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 120.843 0.354 . . . . 0.0 110.909 -179.254 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -73.6 -18.16 61.09 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.146 178.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 436' ' ' GLU . . . . . 0.628 ' HA ' HG22 ' A' ' 441' ' ' THR . 49.7 mt-10 -63.43 -51.77 64.31 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.627 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -86.25 -25.49 25.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.279 -177.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -86.49 -75.93 0.37 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.627 0.251 . . . . 0.0 110.889 -179.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -67.04 -23.62 65.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.615 -177.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.51 ' HA ' ' O ' ' A' ' 436' ' ' GLU . 17.9 m 76.24 103.91 0.07 Allowed 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.127 176.731 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 441' ' ' THR . . . . . 0.628 HG22 ' HA ' ' A' ' 436' ' ' GLU . 15.6 p -68.64 106.33 2.57 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.054 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . 156.49 -37.79 0.58 Allowed Glycine 0 N--CA 1.446 -0.686 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -178.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 28.3 m . . . . . 0 C--O 1.251 1.177 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 175.326 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.656 0 N-CA-C 111.847 -0.501 . . . . 0.0 111.847 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 14.0 m -80.94 -28.84 35.58 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.405 0.145 . . . . 0.0 111.389 -177.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 373' ' ' LYS . . . . . 0.449 ' HD3' ' HA ' ' A' ' 373' ' ' LYS . 11.9 mmtp 61.2 37.16 17.63 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.217 0.532 . . . . 0.0 111.604 -177.191 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 374' ' ' LYS . . . . . 0.437 ' HZ3' ' HB2' ' A' ' 374' ' ' LYS . 0.4 OUTLIER -137.93 120.29 15.89 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.086 177.248 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 375' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -132.72 179.42 6.16 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.606 179.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -148.65 152.33 36.51 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.747 0.308 . . . . 0.0 110.881 178.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 377' ' ' THR . . . . . . . . . . . . . 8.6 m -97.2 82.48 3.18 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.283 -179.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 378' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 65.89 173.77 0.23 Allowed 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.207 173.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 379' ' ' SER . . . . . 0.611 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 4.3 m -45.38 -49.46 13.06 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 123.043 0.537 . . . . 0.0 112.146 177.362 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -49.85 -50.02 47.0 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -176.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -74.34 -52.01 13.45 Favored 'General case' 0 CA--C 1.517 -0.324 0 C-N-CA 120.172 -0.611 . . . . 0.0 110.437 -172.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 382' ' ' ASN . . . . . 0.509 ' HA ' ' HB3' ' A' ' 385' ' ' LYS . 1.1 p30 -67.22 -25.28 66.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.827 -175.13 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 383' ' ' LYS . . . . . 0.724 ' HB3' HD22 ' A' ' 416' ' ' LEU . 3.2 tptm -67.26 -50.76 59.28 Favored 'General case' 0 CA--C 1.509 -0.633 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 179.092 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -64.59 -36.24 83.58 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.934 176.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 385' ' ' LYS . . . . . 0.509 ' HB3' ' HA ' ' A' ' 382' ' ' ASN . 56.8 tptt -61.8 -37.88 86.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.907 177.456 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 386' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 382' ' ' ASN . 39.1 mt -66.64 -42.39 89.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.22 0.533 . . . . 0.0 109.94 179.109 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 27.8 m -64.44 -40.18 95.24 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.845 174.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.99 -15.26 62.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.357 179.442 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -72.82 -20.15 61.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.965 0.412 . . . . 0.0 110.412 174.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 390' ' ' ALA . . . . . 0.681 ' HB1' HD23 ' A' ' 400' ' ' LEU . . . -86.38 -16.29 37.76 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 175.45 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 94.9 mttt 58.31 -128.51 1.45 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 114.603 -1.18 . . . . 0.0 111.416 174.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -98.74 15.79 24.22 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.822 0.344 . . . . 0.0 111.163 -175.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -90.43 109.63 20.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.272 0.558 . . . . 0.0 110.342 176.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 394' ' ' GLN . . . . . 0.572 ' HA ' ' CD1' ' A' ' 407' ' ' PHE . 23.6 tt0 -63.77 -45.04 91.55 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.414 -176.656 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 13.3 tppt? -69.82 -36.74 75.87 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.293 -175.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 396' ' ' ALA . . . . . 0.425 ' HA ' ' ND2' ' A' ' 399' ' ' ASN . . . -64.76 -35.02 79.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.243 0.544 . . . . 0.0 110.236 176.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 37.7 t -61.73 -45.92 91.86 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.141 177.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -62.53 -27.63 69.29 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.204 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 399' ' ' ASN . . . . . 0.425 ' ND2' ' HA ' ' A' ' 396' ' ' ALA . 82.5 m-20 -66.57 -45.4 79.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.988 0.423 . . . . 0.0 110.511 177.36 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . 0.681 HD23 ' HB1' ' A' ' 390' ' ' ALA . 1.9 pp -102.09 16.38 26.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.726 -177.395 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' A' ' 405' ' ' CYS . 82.1 tttt -57.59 -17.74 15.92 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.712 177.558 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -55.89 -22.9 28.18 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.843 178.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 403' ' ' LYS . . . . . 0.455 ' HD2' ' N ' ' A' ' 403' ' ' LYS . 0.5 OUTLIER -90.93 2.53 56.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.759 0.314 . . . . 0.0 110.913 -179.704 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 404' ' ' GLY . . . . . 0.41 ' O ' HD13 ' A' ' 416' ' ' LEU . . . 99.7 24.93 9.54 Favored Glycine 0 C--O 1.236 0.243 0 N-CA-C 111.565 -0.614 . . . . 0.0 111.565 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 405' ' ' CYS . . . . . 0.538 ' HB3' ' SG ' ' A' ' 414' ' ' CYS . 80.0 m -98.72 118.87 36.44 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.028 0.442 . . . . 0.0 111.021 -170.778 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 406' ' ' VAL . . . . . 0.617 ' HB ' ' HB2' ' A' ' 418' ' ' LYS . 10.0 p -126.34 143.11 40.94 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 177.308 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 407' ' ' PHE . . . . . 0.572 ' CD1' ' HA ' ' A' ' 394' ' ' GLN . 22.7 t80 -68.09 123.79 21.65 Favored 'General case' 0 N--CA 1.439 -1.018 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.405 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -98.94 97.43 8.6 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.608 -0.723 . . . . 0.0 109.234 -177.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 1.2 p -61.45 -23.5 65.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.761 -176.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -55.06 -44.41 74.73 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.971 177.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 22.6 t -112.8 -6.9 13.81 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.826 -177.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 7.1 t30 61.01 58.24 2.33 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.66 -177.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 25.7 pttm -163.16 159.59 23.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.873 174.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 414' ' ' CYS . . . . . 0.538 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 51.9 t -79.54 127.05 31.66 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.519 0.2 . . . . 0.0 110.472 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -138.96 159.23 42.64 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 121.173 0.511 . . . . 0.0 111.32 -177.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.724 HD22 ' HB3' ' A' ' 383' ' ' LYS . 35.8 tp -73.87 82.63 1.67 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 174.337 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 417' ' ' LYS . . . . . 0.52 ' HB2' HG11 ' A' ' 406' ' ' VAL . 49.1 mmtt -127.75 -25.42 3.1 Favored 'General case' 0 CA--C 1.502 -0.873 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 -170.357 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . 0.617 ' HB2' ' HB ' ' A' ' 406' ' ' VAL . 12.2 tmtt? -56.51 -30.02 62.53 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.453 0.644 . . . . 0.0 109.295 -177.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -91.85 -48.53 6.73 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.664 -170.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 31.6 t -67.1 -37.71 79.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.311 179.141 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -67.59 -47.96 68.23 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.968 -178.002 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -62.66 -34.92 78.09 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.912 -177.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -62.66 -43.74 98.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.196 0.522 . . . . 0.0 110.417 179.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 54.4 tp -79.34 -26.72 42.09 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.421 179.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -75.0 -7.55 53.97 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.666 176.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 16.6 mtpt 74.68 46.0 0.16 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 114.576 -1.193 . . . . 0.0 111.567 173.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -86.69 57.99 4.81 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 106.665 -1.606 . . . . 0.0 106.665 166.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 17.3 m -49.14 102.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 113.283 -1.78 . . . . 0.0 111.539 -178.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 429' ' ' LYS . . . . . 0.442 ' HG3' ' HG3' ' A' ' 430' ' ' GLU . 7.3 ptpp? -106.78 -14.35 15.02 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.373 177.228 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . 0.442 ' HG3' ' HG3' ' A' ' 429' ' ' LYS . 31.6 mt-10 -119.19 105.75 11.68 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.449 177.49 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 431' ' ' THR . . . . . . . . . . . . . 22.9 m -63.0 -38.42 91.11 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.677 -179.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 57.27 77.33 0.28 Allowed 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.753 0.787 . . . . 0.0 110.589 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 173.89 -123.34 0.96 Allowed Glycine 0 N--CA 1.446 -0.694 0 CA-C-N 114.901 -1.045 . . . . 0.0 111.179 -178.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 90.8 mttt 60.84 21.87 11.98 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 121.206 0.527 . . . . 0.0 110.865 177.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 435' ' ' ASP . . . . . 0.472 ' HB2' HD21 ' A' ' 439' ' ' ASN . 9.5 p-10 -90.49 98.92 12.06 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.711 0.767 . . . . 0.0 112.318 -172.204 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -156.06 -46.81 0.08 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.507 172.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 54.5 tttm -44.33 -52.83 7.31 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.541 176.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -140.38 77.5 1.61 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.039 0.447 . . . . 0.0 110.755 176.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 439' ' ' ASN . . . . . 0.472 HD21 ' HB2' ' A' ' 435' ' ' ASP . 64.9 t30 -160.32 -57.93 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.623 176.186 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 5.2 p -72.44 -57.19 4.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.426 0.632 . . . . 0.0 109.647 174.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 27.8 m -108.1 142.47 38.24 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 172.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . -95.62 -26.09 12.47 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.569 -176.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 25.0 m . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.334 -0.841 . . . . 0.0 110.463 -179.323 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.739 0 N-CA-C 111.93 -0.468 . . . . 0.0 111.93 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 3.1 p -133.94 125.12 27.58 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.191 0.52 . . . . 0.0 111.385 -177.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 59.6 pttt -110.01 -17.9 13.49 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.851 174.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 374' ' ' LYS . . . . . . . . . . . . . 34.3 mmtm -73.14 101.72 3.39 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.347 172.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 375' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 -66.9 -24.26 66.08 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.045 -176.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 376' ' ' GLN . . . . . 0.413 ' HA ' ' OE1' ' A' ' 381' ' ' GLU . 27.2 mt-30 61.06 25.64 15.65 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 122.14 0.972 . . . . 0.0 109.641 -176.682 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 377' ' ' THR . . . . . . . . . . . . . 30.8 m -98.27 120.88 39.46 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 114.219 -1.355 . . . . 0.0 109.755 -179.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 378' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -56.89 -47.59 80.14 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 123.433 0.458 . . . . 0.0 111.347 -175.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 379' ' ' SER . . . . . 0.453 ' HA ' ' ND2' ' A' ' 382' ' ' ASN . 15.1 t -60.44 -44.22 96.03 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.099 -177.207 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -69.08 -44.18 73.05 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.013 0.435 . . . . 0.0 111.335 -177.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 381' ' ' GLU . . . . . 0.413 ' OE1' ' HA ' ' A' ' 376' ' ' GLN . 43.8 mt-10 -80.81 -31.67 35.53 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.183 -0.462 . . . . 0.0 112.219 -173.434 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 382' ' ' ASN . . . . . 0.453 ' ND2' ' HA ' ' A' ' 379' ' ' SER . 0.5 OUTLIER -75.29 -24.83 57.58 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.377 -0.529 . . . . 0.0 109.603 177.391 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 383' ' ' LYS . . . . . 0.479 ' HB3' HD23 ' A' ' 416' ' ' LEU . 0.1 OUTLIER -64.63 -48.41 74.96 Favored 'General case' 0 CA--C 1.514 -0.416 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 175.6 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -52.56 -49.96 63.9 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.292 174.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -56.64 -43.81 80.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.157 -179.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 386' ' ' ILE . . . . . 0.43 ' CG2' HD11 ' A' ' 400' ' ' LEU . 68.3 mt -67.49 -45.79 84.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.117 0.484 . . . . 0.0 110.122 -179.664 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 72.9 m -62.64 -37.49 86.57 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.134 179.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -80.08 -24.4 40.64 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.634 -178.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -73.39 -8.82 57.48 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.996 0.427 . . . . 0.0 110.856 175.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 390' ' ' ALA . . . . . 0.458 ' HB1' HD12 ' A' ' 400' ' ' LEU . . . -86.25 -20.98 27.67 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 177.123 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp 61.57 -151.94 0.38 Allowed 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.565 173.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -88.86 10.32 21.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.425 0.631 . . . . 0.0 109.89 176.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -84.22 97.65 9.51 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 177.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 394' ' ' GLN . . . . . 0.45 ' O ' ' HG2' ' A' ' 398' ' ' GLU . 50.0 tt0 -57.39 -40.38 78.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.629 -174.537 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -49.96 -49.78 49.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.829 0.347 . . . . 0.0 111.074 178.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -64.02 -39.78 94.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.966 0.412 . . . . 0.0 110.589 179.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 18.7 t -63.82 -43.08 97.3 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.397 179.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 398' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' A' ' 394' ' ' GLN . 17.0 mm-40 -58.28 -34.14 70.2 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.028 178.092 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 18.8 m-80 -71.0 -34.05 71.0 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.172 178.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . 0.458 HD12 ' HB1' ' A' ' 390' ' ' ALA . 30.2 mt -103.65 10.73 36.71 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.627 -177.03 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . 0.524 ' HA ' ' O ' ' A' ' 405' ' ' CYS . 16.7 tptm -50.12 -53.96 23.87 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.952 -1.022 . . . . 0.0 112.35 -175.304 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -80.72 10.47 4.86 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.953 0.406 . . . . 0.0 112.03 -173.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 61.2 mttm -92.32 -5.88 51.36 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.224 0.535 . . . . 0.0 109.592 171.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 404' ' ' GLY . . . . . 0.531 ' HA2' ' HB3' ' A' ' 418' ' ' LYS . . . 115.24 -5.93 21.51 Favored Glycine 0 N--CA 1.445 -0.754 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 -178.388 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 405' ' ' CYS . . . . . 0.548 ' HB3' ' SG ' ' A' ' 414' ' ' CYS . 56.8 m -82.8 111.71 18.96 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.122 -0.539 . . . . 0.0 110.316 -178.178 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 406' ' ' VAL . . . . . 0.626 ' CG1' ' HB3' ' A' ' 417' ' ' LYS . 7.2 p -122.2 134.15 66.32 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.696 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 407' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -72.74 123.36 23.15 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.114 -179.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -104.39 112.59 25.69 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.653 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 11.4 p -70.26 -22.4 62.88 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.526 -176.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -69.26 -36.94 77.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.949 -175.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 23.2 m -110.72 1.56 17.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.846 179.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 10.6 t30 50.04 73.7 0.25 Allowed 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.231 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -173.86 165.39 4.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.695 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 414' ' ' CYS . . . . . 0.548 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 37.9 t -90.92 131.14 36.72 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 170.315 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -138.44 150.81 46.86 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.714 0.292 . . . . 0.0 110.495 -175.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.479 HD23 ' HB3' ' A' ' 383' ' ' LYS . 50.4 tp -74.19 87.37 1.93 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 173.326 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 417' ' ' LYS . . . . . 0.626 ' HB3' ' CG1' ' A' ' 406' ' ' VAL . 2.0 tmtp? -130.89 -8.29 3.95 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.265 -173.383 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . 0.558 ' O ' ' HE2' ' A' ' 418' ' ' LYS . 0.1 OUTLIER -60.51 -34.74 74.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.657 0.741 . . . . 0.0 109.94 177.734 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -81.08 -40.62 23.84 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 115.241 -0.891 . . . . 0.0 109.99 -177.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 54.7 t -61.33 -47.44 93.44 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.115 177.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . 0.61 ' O ' ' HG2' ' A' ' 425' ' ' GLU . 60.0 tttm -60.64 -42.62 97.3 Favored 'General case' 0 C--O 1.208 -1.102 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.672 177.216 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -54.29 -43.07 70.75 Favored 'General case' 0 C--O 1.244 0.79 0 O-C-N 123.642 0.589 . . . . 0.0 110.921 -179.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 50.4 mmtm -56.69 -42.84 79.8 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.429 177.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 48.3 tp -81.29 -30.57 33.93 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.402 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 425' ' ' GLU . . . . . 0.61 ' HG2' ' O ' ' A' ' 421' ' ' LYS . 13.9 mm-40 -48.8 -69.69 0.11 Allowed 'General case' 0 C--O 1.234 0.28 0 C-N-CA 123.182 0.593 . . . . 0.0 110.94 -179.099 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 426' ' ' LYS . . . . . 0.867 ' HE3' ' HA ' ' A' ' 426' ' ' LYS . 0.0 OUTLIER 55.85 27.94 11.71 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.525 179.277 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -91.3 -18.08 24.91 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.006 0.431 . . . . 0.0 110.144 -175.062 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 7.4 t -57.17 -39.92 76.29 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.409 -174.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -94.34 -15.52 24.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.842 0.353 . . . . 0.0 110.892 177.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -70.02 -57.42 5.01 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.021 178.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 431' ' ' THR . . . . . . . . . . . . . 8.3 m 59.38 76.36 0.36 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.953 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -118.3 130.63 56.14 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.916 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -83.6 116.14 4.18 Favored Glycine 0 N--CA 1.443 -0.856 0 CA-C-N 115.944 -0.571 . . . . 0.0 113.211 -172.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -110.01 -73.35 0.69 Allowed 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.116 -0.542 . . . . 0.0 109.964 175.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -137.1 67.52 1.44 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.439 -178.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 436' ' ' GLU . . . . . 0.447 ' H ' ' ND2' ' A' ' 439' ' ' ASN . 16.6 mp0 -86.14 116.29 24.24 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 178.519 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp 72.25 -55.97 0.66 Allowed 'General case' 0 N--CA 1.467 0.408 0 O-C-N 123.881 0.738 . . . . 0.0 110.884 179.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -151.59 -74.02 0.15 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.62 -0.263 . . . . 0.0 111.163 177.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 439' ' ' ASN . . . . . 0.447 ' ND2' ' H ' ' A' ' 436' ' ' GLU . 94.8 m-20 60.62 -177.93 0.1 Allowed 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.278 0.631 . . . . 0.0 111.858 -174.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 27.8 m 53.27 55.19 9.1 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 121.821 0.82 . . . . 0.0 109.545 -171.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 33.5 m -66.0 -37.28 85.53 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.756 -178.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . -110.62 118.93 5.12 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.851 -0.69 . . . . 0.0 111.777 177.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 9.0 t . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.232 -0.89 . . . . 0.0 109.415 179.101 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.738 0 N-CA-C 112.061 -0.416 . . . . 0.0 112.061 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 50.7 m 68.32 -178.49 0.22 Allowed 'General case' 0 C--O 1.234 0.267 0 C-N-CA 122.663 0.385 . . . . 0.0 110.966 -179.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -127.86 100.98 6.14 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.95 0.405 . . . . 0.0 111.128 -179.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 374' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -96.59 -17.86 20.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.274 0.559 . . . . 0.0 109.859 175.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 375' ' ' GLN . . . . . . . . . . . . . 1.1 pm0 -115.11 133.96 55.58 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.884 -176.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -120.61 86.08 2.51 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 172.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 377' ' ' THR . . . . . . . . . . . . . 18.0 p -97.91 -2.18 41.25 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.232 -177.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 378' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -44.21 -56.77 3.86 Favored 'General case' 0 N--CA 1.465 0.305 0 O-C-N 123.857 0.723 . . . . 0.0 111.775 -178.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 379' ' ' SER . . . . . 0.665 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 24.6 m -66.11 -39.39 89.91 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.526 -175.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -73.41 -41.37 63.38 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.958 0.408 . . . . 0.0 111.572 -176.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -73.11 -46.77 49.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.058 -175.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 382' ' ' ASN . . . . . 0.548 ' O ' HG13 ' A' ' 386' ' ' ILE . 0.3 OUTLIER -68.95 -27.12 65.44 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.284 179.871 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 383' ' ' LYS . . . . . 0.665 ' HB2' ' O ' ' A' ' 379' ' ' SER . 2.2 tptm -66.63 -47.92 71.06 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 179.763 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -56.89 -37.34 71.26 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.215 175.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 23.9 tptp -70.99 -32.73 69.65 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.841 -179.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 386' ' ' ILE . . . . . 0.548 HG13 ' O ' ' A' ' 382' ' ' ASN . 79.0 mt -62.08 -42.29 94.45 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.285 0 CA-C-O 121.504 0.668 . . . . 0.0 109.252 176.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 14.6 m -69.46 -43.41 73.32 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 114.833 -1.076 . . . . 0.0 110.189 178.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -70.79 -14.52 62.45 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.489 -178.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -69.34 -22.97 63.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.911 0.386 . . . . 0.0 110.513 173.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 390' ' ' ALA . . . . . 0.682 ' HB2' HD21 ' A' ' 400' ' ' LEU . . . -87.76 -13.63 41.83 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 175.639 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 391' ' ' LYS . . . . . 0.403 ' HZ2' ' HB3' ' A' ' 391' ' ' LYS . 7.8 mtpm? 63.68 -97.01 0.06 Allowed 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 114.397 -1.274 . . . . 0.0 111.983 173.557 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -137.12 21.86 3.01 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.205 0.526 . . . . 0.0 110.102 -177.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -88.43 104.45 16.8 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.996 174.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 394' ' ' GLN . . . . . 0.503 ' O ' ' HG2' ' A' ' 398' ' ' GLU . 35.0 tt0 -57.88 -46.46 84.85 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.265 -179.389 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -61.45 -44.76 96.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.794 -176.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 396' ' ' ALA . . . . . 0.573 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -65.99 -36.83 84.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.52 178.626 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . 0.403 ' HA ' HD13 ' A' ' 400' ' ' LEU . 26.5 t -65.43 -44.83 86.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.607 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 398' ' ' GLU . . . . . 0.503 ' HG2' ' O ' ' A' ' 394' ' ' GLN . 30.4 mm-40 -53.94 -39.23 65.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.643 176.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -64.49 -52.6 57.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.464 179.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . 0.682 HD21 ' HB2' ' A' ' 390' ' ' ALA . 2.1 pp -90.85 14.54 13.37 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.804 0.335 . . . . 0.0 111.842 -175.574 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' A' ' 405' ' ' CYS . 38.9 ttmt -62.47 -19.68 63.78 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.273 0.559 . . . . 0.0 110.486 176.083 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -56.07 -26.24 48.51 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.86 176.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 403' ' ' LYS . . . . . 0.481 ' HD2' ' N ' ' A' ' 403' ' ' LYS . 0.1 OUTLIER -90.5 8.86 31.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.533 -178.462 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 404' ' ' GLY . . . . . 0.437 ' O ' HD13 ' A' ' 416' ' ' LEU . . . 89.79 36.34 7.35 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 121.133 -0.556 . . . . 0.0 112.143 178.484 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 405' ' ' CYS . . . . . 0.425 ' O ' ' HG3' ' A' ' 401' ' ' LYS . 91.7 m -115.76 111.1 20.04 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.052 0.453 . . . . 0.0 110.765 -174.312 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 406' ' ' VAL . . . . . 0.472 ' HB ' ' HD3' ' A' ' 417' ' ' LYS . 14.6 p -110.35 142.36 23.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 -179.104 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 407' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -71.79 117.4 13.33 Favored 'General case' 0 N--CA 1.436 -1.144 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 174.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 408' ' ' ASN . . . . . 0.404 ' ND2' ' HB2' ' A' ' 410' ' ' GLU . 6.7 t30 -99.69 91.62 4.95 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 114.939 -1.028 . . . . 0.0 109.255 -170.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 12.0 p -67.76 -9.61 45.46 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -172.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 410' ' ' GLU . . . . . 0.404 ' HB2' ' ND2' ' A' ' 408' ' ' ASN . 30.7 mm-40 -59.01 -38.26 78.83 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.189 0.519 . . . . 0.0 109.955 174.32 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 5.8 p -123.65 -0.82 8.56 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.896 179.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 4.8 t30 60.45 57.81 2.71 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.139 178.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -141.55 168.78 18.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.423 176.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 414' ' ' CYS . . . . . . . . . . . . . 42.0 t -92.38 119.39 31.88 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 167.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -143.96 174.82 10.51 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.226 -174.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.437 HD13 ' O ' ' A' ' 404' ' ' GLY . 37.6 tp -66.78 144.26 56.43 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.929 0.395 . . . . 0.0 110.798 -174.38 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 417' ' ' LYS . . . . . 0.472 ' HD3' ' HB ' ' A' ' 406' ' ' VAL . 20.9 tptp -67.83 79.61 0.2 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.048 175.072 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . 0.402 ' HE2' ' HB2' ' A' ' 418' ' ' LYS . 23.6 mtmm -64.49 -22.24 66.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.574 -178.067 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 419' ' ' ASP . . . . . 0.627 ' O ' ' HG2' ' A' ' 423' ' ' LYS . 1.2 t70 -56.31 -54.89 40.11 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.998 173.576 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 420' ' ' VAL . . . . . 0.438 HG23 ' HG2' ' A' ' 417' ' ' LYS . 86.2 t -61.86 -38.9 81.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.762 0.315 . . . . 0.0 110.535 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . 0.403 ' C ' ' HD3' ' A' ' 421' ' ' LYS . 0.8 OUTLIER -55.78 -43.83 77.16 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 174.922 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 422' ' ' GLU . . . . . 0.44 ' O ' ' HA ' ' A' ' 426' ' ' LYS . 13.4 tp10 -76.59 -18.03 58.87 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.243 -0.889 . . . . 0.0 111.068 -176.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 423' ' ' LYS . . . . . 0.627 ' HG2' ' O ' ' A' ' 419' ' ' ASP . 11.5 mmpt? -81.49 -40.91 22.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.409 0.623 . . . . 0.0 109.717 175.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 8.6 tt -66.51 -51.42 56.81 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.948 -1.024 . . . . 0.0 110.316 -178.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -79.76 -48.5 13.5 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.046 0.451 . . . . 0.0 109.878 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 426' ' ' LYS . . . . . 0.563 ' HD2' ' HD3' ' A' ' 429' ' ' LYS . 34.7 ttpt 57.86 74.02 0.44 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.933 -176.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -107.14 -39.77 5.62 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.718 -1.128 . . . . 0.0 109.986 -178.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 25.2 m -144.75 96.06 2.8 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.506 179.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 429' ' ' LYS . . . . . 0.563 ' HD3' ' HD2' ' A' ' 426' ' ' LYS . 36.0 mtmm -79.67 -51.81 8.77 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.704 -179.713 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . 0.418 ' C ' ' HG1' ' A' ' 431' ' ' THR . 31.2 tt0 -179.12 -82.35 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.154 -173.725 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 431' ' ' THR . . . . . 0.418 ' HG1' ' C ' ' A' ' 430' ' ' GLU . 94.7 m -169.55 103.04 0.34 Allowed 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 106.584 -1.635 . . . . 0.0 106.584 -177.245 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -39.29 121.28 1.13 Allowed 'General case' 0 N--CA 1.468 0.433 0 O-C-N 124.151 0.907 . . . . 0.0 111.402 -175.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -96.46 112.43 4.44 Favored Glycine 0 N--CA 1.439 -1.129 0 CA-C-N 115.669 -0.696 . . . . 0.0 112.795 -169.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 434' ' ' LYS . . . . . 0.637 ' HZ1' ' HB2' ' A' ' 434' ' ' LYS . 5.1 ttmp? -80.85 81.55 7.07 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 174.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 435' ' ' ASP . . . . . 0.683 ' HB2' ' HB3' ' A' ' 439' ' ' ASN . 9.6 m-20 -76.46 -4.82 44.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.318 -175.825 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 436' ' ' GLU . . . . . 0.417 ' HB3' ' O ' ' A' ' 435' ' ' ASP . 9.2 tp10 69.85 -74.84 0.08 Allowed 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.614 0.571 . . . . 0.0 111.144 177.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -94.84 111.9 23.66 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.32 -176.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . 64.84 44.5 3.61 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.918 177.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 439' ' ' ASN . . . . . 0.683 ' HB3' ' HB2' ' A' ' 435' ' ' ASP . 20.2 p-10 -83.87 -61.76 1.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.129 175.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 17.4 m 49.27 76.24 0.13 Allowed 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 121.512 0.672 . . . . 0.0 111.327 -179.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 441' ' ' THR . . . . . 0.496 HG22 ' H ' ' A' ' 443' ' ' SER . 29.7 m -80.46 120.51 24.56 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.908 -177.381 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . -106.17 33.81 6.2 Favored Glycine 0 N--CA 1.449 -0.498 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 177.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 443' ' ' SER . . . . . 0.496 ' H ' HG22 ' A' ' 441' ' ' THR . 67.6 m . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.617 -0.706 . . . . 0.0 111.031 -178.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.751 0 N-CA-C 112.081 -0.407 . . . . 0.0 112.081 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 19.2 m 66.74 177.94 0.23 Allowed 'General case' 0 C--O 1.234 0.239 0 C-N-CA 122.829 0.452 . . . . 0.0 110.752 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -101.2 -4.68 26.75 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.348 0.594 . . . . 0.0 110.12 176.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 374' ' ' LYS . . . . . 0.703 ' HB3' ' HB ' ' A' ' 377' ' ' THR . 12.0 mptt -97.48 88.83 4.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.086 174.436 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 375' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -97.73 -62.45 1.25 Allowed 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 179.145 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -63.48 -26.34 68.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.975 178.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 377' ' ' THR . . . . . 0.703 ' HB ' ' HB3' ' A' ' 374' ' ' LYS . 18.3 m -65.17 -42.69 93.42 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.783 178.466 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 378' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -63.2 -49.54 73.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.027 0.441 . . . . 0.0 110.109 178.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 379' ' ' SER . . . . . 0.633 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 40.8 m -60.76 -41.99 96.53 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.005 -179.476 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -68.95 -43.38 75.14 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.448 179.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -68.02 -51.33 48.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.683 -0.235 . . . . 0.0 111.305 -175.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 382' ' ' ASN . . . . . 0.616 ' O ' HG13 ' A' ' 386' ' ' ILE . 1.5 p30 -66.29 -33.52 75.92 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.313 -176.467 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 383' ' ' LYS . . . . . 0.769 ' HE3' ' HB3' ' A' ' 403' ' ' LYS . 12.9 mptt -66.85 -46.72 74.18 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 179.357 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -57.17 -47.11 82.04 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.003 -0.998 . . . . 0.0 109.817 174.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 385' ' ' LYS . . . . . 0.42 ' HD2' ' HA ' ' A' ' 385' ' ' LYS . 37.7 tptt -63.17 -30.54 71.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.486 -177.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 386' ' ' ILE . . . . . 0.616 HG13 ' O ' ' A' ' 382' ' ' ASN . 88.2 mt -67.18 -39.37 82.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.263 0.554 . . . . 0.0 109.8 178.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 61.8 m -69.91 -38.44 76.29 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.346 176.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -67.95 -25.4 65.44 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.628 178.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -72.19 -30.02 64.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.048 176.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 390' ' ' ALA . . . . . 0.4 ' HB1' ' SG ' ' A' ' 397' ' ' CYS . . . -82.23 -38.17 24.91 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.362 -179.489 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 59.3 mttm 70.36 -93.87 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.782 -1.099 . . . . 0.0 112.248 173.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -112.77 10.31 19.2 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -173.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -88.66 85.17 6.75 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.023 179.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -55.4 -43.12 74.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.503 -0.772 . . . . 0.0 111.389 -177.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -53.89 -52.82 59.28 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.169 -178.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 396' ' ' ALA . . . . . 0.659 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -70.87 -29.65 65.81 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.707 0.289 . . . . 0.0 111.043 -174.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . 0.522 ' HA ' HD13 ' A' ' 400' ' ' LEU . 77.8 m -72.84 -39.87 66.2 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.097 0.475 . . . . 0.0 111.031 -179.663 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 398' ' ' GLU . . . . . 0.418 ' HA ' ' HB2' ' A' ' 401' ' ' LYS . 37.5 mm-40 -73.44 -11.56 60.51 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.949 0.404 . . . . 0.0 110.121 174.698 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 399' ' ' ASN . . . . . 0.454 ' HB2' ' O ' ' A' ' 396' ' ' ALA . 1.1 m-80 -77.47 -55.13 5.64 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.946 0.403 . . . . 0.0 110.293 170.293 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . 0.659 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 1.4 pp -81.26 11.55 4.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.149 0.5 . . . . 0.0 110.857 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . 0.616 ' HG3' ' O ' ' A' ' 405' ' ' CYS . 29.4 tttp -56.28 -23.61 37.63 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.458 171.267 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -53.83 -32.67 53.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.394 173.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 403' ' ' LYS . . . . . 0.769 ' HB3' ' HE3' ' A' ' 383' ' ' LYS . 92.7 mttt -87.72 -0.82 57.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.053 -177.662 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 93.38 58.03 1.32 Allowed Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.991 -0.623 . . . . 0.0 112.619 179.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 405' ' ' CYS . . . . . 0.616 ' O ' ' HG3' ' A' ' 401' ' ' LYS . 36.8 t -127.27 156.09 42.47 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 -178.656 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 7.6 p -144.93 128.3 11.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 120.96 0.41 . . . . 0.0 111.081 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 407' ' ' PHE . . . . . 0.697 ' HD2' ' SG ' ' A' ' 414' ' ' CYS . 43.0 t80 -83.48 125.39 31.68 Favored 'General case' 0 N--CA 1.438 -1.067 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 171.56 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -102.14 106.31 17.15 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 178.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 2.7 p -66.11 -20.9 66.3 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.919 -175.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -65.18 -50.64 65.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.125 0.488 . . . . 0.0 110.007 177.146 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 12.9 m -85.39 -15.26 43.7 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.222 0.534 . . . . 0.0 110.23 178.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 3.8 t30 61.67 41.39 12.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.515 -178.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -152.3 155.73 38.25 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.366 175.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 414' ' ' CYS . . . . . 0.697 ' SG ' ' HD2' ' A' ' 407' ' ' PHE . 8.9 m -82.03 141.99 32.74 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.535 177.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -141.62 168.48 19.67 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 178.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.638 HD11 ' HB3' ' A' ' 383' ' ' LYS . 29.5 tp -64.37 138.14 58.27 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.19 0.519 . . . . 0.0 110.415 176.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 417' ' ' LYS . . . . . 0.4 ' HZ1' ' HD2' ' A' ' 421' ' ' LYS . 12.4 tmtt? -75.15 -4.09 36.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.171 -174.41 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . 0.521 ' H ' ' HG ' ' A' ' 416' ' ' LEU . 5.6 tppp? -48.66 -46.41 40.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.428 174.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -56.37 -46.47 80.03 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 113.846 -1.524 . . . . 0.0 110.897 -174.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 71.1 t -64.18 -45.67 95.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.89 -179.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . 0.4 ' HD2' ' HZ1' ' A' ' 417' ' ' LYS . 88.4 tttt -72.68 -39.95 66.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.671 -174.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -70.48 -24.05 62.79 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.114 -175.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 41.1 mtmt -98.72 -6.91 28.6 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.386 174.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -75.68 -51.12 13.47 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 171.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -82.85 -21.47 34.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.851 175.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 54.0 mttp 71.81 80.39 0.15 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.19 -0.914 . . . . 0.0 112.732 171.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . 0.447 ' HG3' ' N ' ' A' ' 428' ' ' SER . 3.1 pt-20 -108.27 -36.78 6.18 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.96 171.136 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 428' ' ' SER . . . . . 0.447 ' N ' ' HG3' ' A' ' 427' ' ' GLU . 50.0 m -129.66 44.79 2.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.175 -174.273 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 15.2 ptmm? -76.18 -21.86 56.02 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.189 178.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 70.0 139.85 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.132 -0.94 . . . . 0.0 112.452 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 431' ' ' THR . . . . . . . . . . . . . 25.1 m -152.17 -57.13 0.14 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.142 175.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 56.88 92.61 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.715 0.635 . . . . 0.0 111.229 -178.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 87.64 66.94 1.32 Allowed Glycine 0 N--CA 1.441 -0.999 0 N-CA-C 110.718 -0.953 . . . . 0.0 110.718 -174.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 434' ' ' LYS . . . . . 0.45 ' HZ1' ' HB2' ' A' ' 434' ' ' LYS . 0.1 OUTLIER -80.03 -0.01 33.68 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.662 0.268 . . . . 0.0 110.62 -178.466 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 16.3 t70 67.38 16.55 10.06 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.404 175.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 57.85 -90.17 0.03 OUTLIER 'General case' 0 C--N 1.334 -0.088 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.974 -174.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm -152.16 -48.01 0.11 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.851 0.357 . . . . 0.0 110.401 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -117.58 -44.65 2.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.854 -177.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 45.9 t-20 65.79 99.09 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.209 -178.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 6.1 t -159.28 133.84 7.89 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.817 -0.628 . . . . 0.0 109.9 177.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 7.1 m -82.79 119.87 24.9 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 -179.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . -131.76 68.9 0.54 Allowed Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.902 -0.666 . . . . 0.0 111.89 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.712 -0.661 . . . . 0.0 109.88 179.072 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.81 0 N-CA-C 111.405 -0.678 . . . . 0.0 111.405 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 372' ' ' SER . . . . . 0.803 ' HB2' ' HB2' ' A' ' 378' ' ' GLU . 15.1 m 50.77 44.69 27.8 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 171.591 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 46.4 mtpt -67.62 -23.25 65.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.58 0.228 . . . . 0.0 111.449 -177.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 374' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -89.83 -1.05 57.9 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.945 0.403 . . . . 0.0 110.767 178.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 375' ' ' GLN . . . . . 0.41 ' HB2' ' HB3' ' A' ' 372' ' ' SER . 24.9 mt-30 -109.96 -37.67 5.54 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 175.657 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 64.89 12.49 7.83 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.936 175.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 377' ' ' THR . . . . . . . . . . . . . 15.1 t -97.4 -10.59 25.2 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.583 0.706 . . . . 0.0 109.818 177.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 378' ' ' GLU . . . . . 0.803 ' HB2' ' HB2' ' A' ' 372' ' ' SER . 9.1 tp10 -54.49 -60.24 3.62 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 114.783 -1.099 . . . . 0.0 111.792 -177.463 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 3.5 p -58.4 -54.52 46.03 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.226 -0.897 . . . . 0.0 112.296 -172.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -59.77 -44.48 93.86 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -175.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -70.73 -54.0 13.42 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.742 -174.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 382' ' ' ASN . . . . . 0.405 ' O ' HG13 ' A' ' 386' ' ' ILE . 1.1 p30 -67.99 -36.11 79.46 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 121.055 -0.258 . . . . 0.0 111.483 -173.167 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 383' ' ' LYS . . . . . 0.461 ' HB3' HD13 ' A' ' 416' ' ' LEU . 2.6 mptm? -65.64 -49.27 69.28 Favored 'General case' 0 CA--C 1.519 -0.232 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.246 179.442 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 384' ' ' GLU . . . . . 0.442 ' CG ' ' HB3' ' A' ' 416' ' ' LEU . 24.7 mt-10 -60.55 -36.21 77.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.279 179.644 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -63.22 -41.02 99.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.77 0.319 . . . . 0.0 110.954 176.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 386' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 382' ' ' ASN . 96.2 mt -68.61 -40.74 82.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.079 0.466 . . . . 0.0 109.867 -179.601 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 60.5 m -67.15 -40.49 86.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.511 176.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 388' ' ' ASN . . . . . 0.577 ' O ' ' HG3' ' A' ' 391' ' ' LYS . 1.3 m-80 -79.88 -10.27 59.76 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 122.314 -0.241 . . . . 0.0 111.302 -179.282 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -70.14 -20.2 63.17 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.067 0.461 . . . . 0.0 109.977 172.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -99.0 -43.86 6.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.554 176.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 391' ' ' LYS . . . . . 0.577 ' HG3' ' O ' ' A' ' 388' ' ' ASN . 8.6 mtmp? 57.37 -92.67 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.634 -179.755 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -83.0 -21.32 33.93 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 123.47 0.481 . . . . 0.0 111.29 -171.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 -79.29 104.71 10.1 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.23 0.538 . . . . 0.0 110.097 -178.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 394' ' ' GLN . . . . . 0.449 ' O ' ' HG2' ' A' ' 398' ' ' GLU . 35.7 tt0 -76.52 -50.01 15.05 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.399 -0.818 . . . . 0.0 110.516 -177.774 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -58.2 -47.71 82.6 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.267 -174.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 396' ' ' ALA . . . . . 0.43 ' HA ' ' ND2' ' A' ' 399' ' ' ASN . . . -64.69 -33.2 75.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.932 -178.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . 0.568 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 1.8 t -75.59 -36.59 60.29 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.664 -0.415 . . . . 0.0 110.308 -179.057 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 398' ' ' GLU . . . . . 0.495 ' CD ' ' HZ1' ' A' ' 401' ' ' LYS . 16.7 mm-40 -64.1 -22.51 66.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.756 0.313 . . . . 0.0 110.674 175.615 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 399' ' ' ASN . . . . . 0.43 ' ND2' ' HA ' ' A' ' 396' ' ' ALA . 85.7 m-20 -71.18 -49.31 45.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.99 0.424 . . . . 0.0 110.407 174.131 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . 0.416 HD11 ' HA ' ' A' ' 397' ' ' CYS . 2.3 pp -90.45 13.55 15.34 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.374 0.607 . . . . 0.0 110.528 -178.162 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . 0.726 ' HG3' ' O ' ' A' ' 405' ' ' CYS . 33.4 tttp -54.08 -21.19 7.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.793 -1.094 . . . . 0.0 112.408 179.639 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -52.56 -35.27 53.43 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 123.632 0.582 . . . . 0.0 111.444 -177.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -78.0 -23.29 48.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.3 -175.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 404' ' ' GLY . . . . . 0.671 ' HA2' ' HD3' ' A' ' 418' ' ' LYS . . . 128.88 48.34 0.15 Allowed Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.338 -0.934 . . . . 0.0 112.951 177.283 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 405' ' ' CYS . . . . . 0.726 ' O ' ' HG3' ' A' ' 401' ' ' LYS . 60.5 m -116.52 112.02 20.78 Favored 'General case' 0 C--N 1.32 -0.68 0 O-C-N 122.52 -0.4 . . . . 0.0 111.421 -175.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 406' ' ' VAL . . . . . 0.527 ' CG1' ' HB3' ' A' ' 417' ' ' LYS . 7.5 p -115.74 114.54 46.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 174.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 407' ' ' PHE . . . . . 0.823 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 21.4 t80 -62.89 122.37 15.82 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.054 178.364 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -104.01 117.19 33.7 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.076 -179.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 12.0 p -62.11 -27.99 69.31 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.514 -179.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -72.87 -48.26 38.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.048 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 26.6 m -75.98 -17.12 59.84 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.717 -0.22 . . . . 0.0 110.629 178.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 10.5 t30 70.36 4.24 4.82 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.694 0.759 . . . . 0.0 110.541 -179.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -126.94 162.7 25.33 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.109 -179.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 414' ' ' CYS . . . . . 0.823 ' HA ' ' HA ' ' A' ' 407' ' ' PHE . 22.6 t -76.92 131.74 38.71 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.367 173.486 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -128.38 140.12 52.02 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.849 0.357 . . . . 0.0 111.547 -169.173 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.461 HD13 ' HB3' ' A' ' 383' ' ' LYS . 15.8 tp -71.2 96.75 1.43 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 170.025 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 417' ' ' LYS . . . . . 0.527 ' HB3' ' CG1' ' A' ' 406' ' ' VAL . 0.0 OUTLIER -152.27 -15.19 0.18 Allowed 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 120.457 -0.497 . . . . 0.0 111.984 -176.28 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . 0.671 ' HD3' ' HA2' ' A' ' 404' ' ' GLY . 4.2 ptmm? -63.23 -28.04 69.76 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.306 0.574 . . . . 0.0 110.461 -179.236 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -68.61 -45.88 70.77 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.8 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 44.2 t -67.34 -40.03 83.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.006 177.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -59.14 -53.47 58.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.998 178.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -62.78 -43.24 99.31 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.064 0.459 . . . . 0.0 110.302 -179.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 50.6 tttp -56.45 -53.54 56.18 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.867 179.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 10.4 tt -69.86 -38.8 76.54 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.183 -175.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -67.55 -35.57 79.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.86 0.362 . . . . 0.0 110.815 -178.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -88.23 -91.73 0.12 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.339 179.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 58.17 15.39 3.28 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 122.818 0.447 . . . . 0.0 110.854 -172.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 8.6 p -63.94 -50.1 69.98 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.018 -172.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.37 -31.08 32.01 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -173.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -64.14 -24.78 67.81 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-O 120.747 0.308 . . . . 0.0 111.491 -177.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 431' ' ' THR . . . . . . . . . . . . . 10.1 t -126.37 -6.94 6.41 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 120.921 0.391 . . . . 0.0 111.261 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -91.44 -9.51 44.33 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.81 0.814 . . . . 0.0 109.904 179.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 154.38 -85.42 0.14 Allowed Glycine 0 N--CA 1.444 -0.794 0 CA-C-N 114.65 -1.159 . . . . 0.0 111.826 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 434' ' ' LYS . . . . . 0.586 ' HB3' ' HB2' ' A' ' 436' ' ' GLU . 30.1 mttt -174.73 143.49 0.77 Allowed 'General case' 0 C--O 1.235 0.336 0 C-N-CA 122.669 0.388 . . . . 0.0 110.517 -179.209 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -69.2 -45.69 69.3 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 107.383 -1.34 . . . . 0.0 107.383 163.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 436' ' ' GLU . . . . . 0.586 ' HB2' ' HB3' ' A' ' 434' ' ' LYS . 44.2 tt0 62.74 -80.25 0.03 OUTLIER 'General case' 0 C--O 1.232 0.168 0 CA-C-N 114.079 -1.419 . . . . 0.0 112.763 169.213 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 437' ' ' LYS . . . . . 0.511 ' HA ' ' HB ' ' A' ' 440' ' ' THR . 27.1 ttpp -165.18 -28.16 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.47 -173.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -62.57 -45.61 92.12 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.338 179.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -95.58 1.88 53.98 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.656 0.741 . . . . 0.0 109.655 179.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.511 ' HB ' ' HA ' ' A' ' 437' ' ' LYS . 22.3 m -102.4 101.49 11.72 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.542 179.606 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 41.1 p -106.77 8.96 31.15 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.412 0.625 . . . . 0.0 110.449 -179.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . 98.16 -19.18 55.53 Favored Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 115.564 -0.743 . . . . 0.0 111.558 -178.345 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 47.2 m . . . . . 0 C--O 1.252 1.228 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 176.531 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.747 0 N-CA-C 112.191 -0.364 . . . . 0.0 112.191 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 49.6 m -91.56 148.87 21.97 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 122.287 0.235 . . . . 0.0 110.721 -178.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 373' ' ' LYS . . . . . 0.483 ' HE3' ' OE1' ' A' ' 375' ' ' GLN . 53.4 tptt 55.48 79.74 0.15 Allowed 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.736 0.779 . . . . 0.0 110.783 179.408 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 374' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -110.1 2.82 19.72 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.157 -175.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 375' ' ' GLN . . . . . 0.483 ' OE1' ' HE3' ' A' ' 373' ' ' LYS . 2.0 mp0 65.51 92.01 0.08 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.524 -175.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -104.16 -15.79 15.42 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.612 176.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 377' ' ' THR . . . . . 0.514 HG21 ' HB1' ' A' ' 380' ' ' ALA . 6.7 m 65.57 33.61 8.43 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 121.888 0.852 . . . . 0.0 108.87 -174.661 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 378' ' ' GLU . . . . . 0.411 ' OE1' ' HB3' ' A' ' 382' ' ' ASN . 8.5 tp10 -44.12 -50.3 8.63 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 114.35 -1.296 . . . . 0.0 112.127 -177.097 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 379' ' ' SER . . . . . 0.452 ' O ' ' HD3' ' A' ' 383' ' ' LYS . 11.5 m -53.08 -51.19 62.63 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.594 -176.368 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 380' ' ' ALA . . . . . 0.514 ' HB1' HG21 ' A' ' 377' ' ' THR . . . -70.71 -38.31 73.62 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.643 0.259 . . . . 0.0 111.118 -177.602 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -67.32 -58.0 5.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.408 -176.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 382' ' ' ASN . . . . . 0.411 ' HB3' ' OE1' ' A' ' 378' ' ' GLU . 1.6 p30 -64.97 -37.28 87.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.087 -173.671 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 383' ' ' LYS . . . . . 0.611 ' HB3' ' HG ' ' A' ' 416' ' ' LEU . 6.3 mptp? -59.22 -57.67 12.01 Favored 'General case' 0 CA--C 1.518 -0.262 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.097 176.683 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 384' ' ' GLU . . . . . 0.499 ' HG3' ' HB2' ' A' ' 416' ' ' LEU . 20.6 mt-10 -61.55 -35.69 78.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.721 -177.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? -62.01 -44.15 97.33 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.908 0.385 . . . . 0.0 110.095 176.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 386' ' ' ILE . . . . . . . . . . . . . 84.8 mt -66.1 -40.48 87.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.655 177.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 387' ' ' CYS . . . . . 0.637 ' O ' ' HB2' ' A' ' 414' ' ' CYS . 67.2 m -59.12 -44.76 92.02 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.317 175.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -75.74 -19.11 59.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.84 -177.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -72.46 -14.24 61.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.315 177.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 390' ' ' ALA . . . . . 0.729 ' HB1' HD21 ' A' ' 400' ' ' LEU . . . -92.78 -20.46 20.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.972 0.415 . . . . 0.0 110.396 179.024 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 391' ' ' LYS . . . . . 0.511 ' HZ1' ' HB2' ' A' ' 391' ' ' LYS . 9.9 mtmp? 58.25 -139.15 0.81 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.459 177.273 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -87.82 12.6 12.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.038 -179.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -83.13 90.2 7.04 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 178.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -64.19 -31.85 73.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.813 -176.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -63.86 -52.58 59.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.957 0.408 . . . . 0.0 110.094 175.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 396' ' ' ALA . . . . . 0.409 ' O ' ' HB2' ' A' ' 399' ' ' ASN . . . -60.76 -38.89 86.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.08 178.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -53.41 -52.76 58.35 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.186 -0.916 . . . . 0.0 111.243 174.689 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -60.32 -22.94 63.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.845 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 399' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' A' ' 396' ' ' ALA . 41.1 m-80 -70.75 -61.14 1.88 Allowed 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.936 0.398 . . . . 0.0 110.596 174.604 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . 0.729 HD21 ' HB1' ' A' ' 390' ' ' ALA . 2.8 pp -83.03 12.08 5.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.124 0.488 . . . . 0.0 111.23 -177.02 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 5.7 tmtp? -50.48 -39.99 49.83 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.202 -0.908 . . . . 0.0 112.189 -179.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -72.98 -3.1 23.88 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -174.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -86.29 2.33 47.67 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.38 175.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 100.23 18.7 21.02 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.266 178.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 91.3 m -106.7 119.76 40.18 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.074 0.464 . . . . 0.0 111.132 -177.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 7.4 p -114.37 132.95 61.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.869 177.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 407' ' ' PHE . . . . . 0.557 ' HD1' ' SG ' ' A' ' 414' ' ' CYS . 29.0 t80 -72.91 130.27 40.02 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.271 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -110.96 116.89 31.97 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.376 178.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 8.5 p -71.45 -17.71 62.36 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.759 -175.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -78.67 -49.34 13.34 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.826 0.346 . . . . 0.0 110.554 -176.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 28.2 p -80.43 -18.42 48.84 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.173 176.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 65.84 39.96 4.44 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.841 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 53.6 pttt -154.67 152.39 29.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.655 176.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 414' ' ' CYS . . . . . 0.637 ' HB2' ' O ' ' A' ' 387' ' ' CYS . 32.5 m -65.88 126.41 28.45 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.785 0.326 . . . . 0.0 110.694 170.676 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -123.16 165.23 17.22 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 176.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.611 ' HG ' ' HB3' ' A' ' 383' ' ' LYS . 0.5 OUTLIER -62.98 140.41 58.86 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 178.129 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 58.0 tptt -44.15 122.79 3.08 Favored 'General case' 0 CA--C 1.532 0.275 0 O-C-N 123.691 0.619 . . . . 0.0 110.603 175.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -55.63 -45.1 77.63 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.844 -173.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -61.4 -38.76 88.23 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.855 -178.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 98.2 t -71.25 -45.07 72.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.284 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -59.01 -42.49 90.27 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.312 177.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -58.03 -47.96 81.51 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.062 178.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 423' ' ' LYS . . . . . 0.4 ' HB3' ' HE3' ' A' ' 423' ' ' LYS . 0.4 OUTLIER -78.3 -20.57 51.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.008 -174.156 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 76.2 mt -79.16 -47.45 16.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.13 174.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -68.44 -56.01 9.91 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.346 -178.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 27.4 tptp 59.15 92.5 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 O-C-N 123.772 0.67 . . . . 0.0 111.354 178.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -111.6 -73.41 0.68 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.687 179.273 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 32.7 t -146.29 113.64 6.28 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.191 0.519 . . . . 0.0 112.272 -174.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 429' ' ' LYS . . . . . 0.405 ' HD3' ' HA ' ' A' ' 429' ' ' LYS . 29.8 mmtp -130.9 -53.35 1.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.121 167.041 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -131.07 28.02 4.81 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.448 173.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 431' ' ' THR . . . . . . . . . . . . . 10.5 t -78.14 -0.95 30.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.687 -173.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -86.92 96.46 10.25 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 178.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -159.45 -152.86 6.63 Favored Glycine 0 N--CA 1.444 -0.782 0 N-CA-C 111.316 -0.714 . . . . 0.0 111.316 178.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -105.22 130.6 53.34 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.86 0.362 . . . . 0.0 110.317 -178.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 435' ' ' ASP . . . . . 0.519 ' HA ' ' HB3' ' A' ' 439' ' ' ASN . 10.1 p-10 -79.55 75.74 6.18 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.873 0.844 . . . . 0.0 110.699 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -84.51 -88.58 0.11 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 175.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -138.0 9.61 2.8 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.469 0.652 . . . . 0.0 109.511 170.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -106.17 -41.58 5.31 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.499 -175.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 439' ' ' ASN . . . . . 0.519 ' HB3' ' HA ' ' A' ' 435' ' ' ASP . 17.8 t-20 -82.56 109.6 16.9 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.002 -175.125 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 21.3 p -97.51 77.55 2.61 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.289 0.566 . . . . 0.0 110.588 176.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 8.8 t -75.15 -14.7 60.58 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.355 -177.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . -175.14 -37.99 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 111.48 -0.648 . . . . 0.0 111.48 -179.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 12.6 m . . . . . 0 C--O 1.247 0.922 0 CA-C-O 118.506 -0.759 . . . . 0.0 109.607 176.874 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.618 0 N-CA-C 111.671 -0.571 . . . . 0.0 111.671 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 44.6 t -148.08 135.95 20.99 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -178.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 49.7 pttt -121.41 86.75 2.63 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.622 0.725 . . . . 0.0 111.048 178.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 374' ' ' LYS . . . . . . . . . . . . . 26.8 mmtm -142.62 35.41 1.44 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.795 178.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 375' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -75.42 114.74 14.31 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.447 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -118.39 120.0 36.28 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.814 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 377' ' ' THR . . . . . 0.851 ' HB ' ' HB2' ' A' ' 381' ' ' GLU . 10.3 m -137.02 84.64 2.08 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.003 177.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 378' ' ' GLU . . . . . 0.515 ' HG3' ' H ' ' A' ' 380' ' ' ALA . 11.9 pt-20 45.52 -158.45 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.864 0.866 . . . . 0.0 112.471 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 379' ' ' SER . . . . . 0.669 ' HA ' ' ND2' ' A' ' 382' ' ' ASN . 41.7 m -59.83 -41.04 90.48 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.773 178.002 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 380' ' ' ALA . . . . . 0.515 ' H ' ' HG3' ' A' ' 378' ' ' GLU . . . -50.95 -51.17 55.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.833 0.349 . . . . 0.0 111.838 -175.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 381' ' ' GLU . . . . . 0.851 ' HB2' ' HB ' ' A' ' 377' ' ' THR . 6.4 tp10 -72.0 -49.19 39.08 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.05 -176.342 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 382' ' ' ASN . . . . . 0.669 ' ND2' ' HA ' ' A' ' 379' ' ' SER . 1.2 p30 -75.58 -27.31 58.52 Favored 'General case' 0 C--O 1.223 -0.317 0 C-N-CA 120.397 -0.521 . . . . 0.0 111.315 -172.296 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 383' ' ' LYS . . . . . 0.521 ' HB2' ' O ' ' A' ' 379' ' ' SER . 13.7 mptt -65.02 -48.83 72.51 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 174.431 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -56.43 -46.21 80.36 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 114.808 -1.087 . . . . 0.0 109.943 175.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 385' ' ' LYS . . . . . 0.458 ' C ' ' HD3' ' A' ' 385' ' ' LYS . 13.0 tmtt? -58.52 -43.02 89.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.496 178.462 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 386' ' ' ILE . . . . . 0.512 HG13 ' O ' ' A' ' 382' ' ' ASN . 72.7 mt -63.32 -43.69 98.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.221 0.534 . . . . 0.0 109.702 -178.067 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 387' ' ' CYS . . . . . 0.402 ' O ' ' HB3' ' A' ' 414' ' ' CYS . 59.7 m -66.85 -40.46 87.91 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.591 176.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.99 -27.45 65.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.212 -179.096 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -72.39 -13.59 61.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.889 0.376 . . . . 0.0 111.285 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -82.8 -22.95 34.06 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 175.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 37.6 mtpt 53.97 -137.28 1.23 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 114.697 -1.138 . . . . 0.0 111.147 177.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 392' ' ' ASP . . . . . 0.474 ' HA ' ' HA ' ' A' ' 413' ' ' LYS . 5.1 m-20 -79.83 0.68 29.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.182 -176.151 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -78.91 109.24 13.0 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.001 0.429 . . . . 0.0 110.005 -178.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 394' ' ' GLN . . . . . 0.476 ' O ' ' HG3' ' A' ' 398' ' ' GLU . 52.2 tt0 -64.82 -45.24 87.04 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.77 -175.069 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . 0.41 ' HE2' ' HB2' ' A' ' 395' ' ' LYS . 16.4 ttmm -70.69 -34.27 71.8 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 121.022 -0.271 . . . . 0.0 111.546 -172.686 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -61.34 -37.59 83.88 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 174.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . 0.401 ' HB2' ' HB2' ' A' ' 414' ' ' CYS . 23.7 t -69.71 -40.4 76.31 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.061 176.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 398' ' ' GLU . . . . . 0.476 ' HG3' ' O ' ' A' ' 394' ' ' GLN . 44.7 mt-10 -54.66 -40.67 69.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.091 176.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -66.98 -40.85 87.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.232 0.539 . . . . 0.0 110.283 178.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . . . . . . . . . 69.6 mt -83.21 0.19 46.56 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.409 -177.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . 0.42 ' HA ' ' O ' ' A' ' 405' ' ' CYS . 5.6 tmtm? -58.23 -34.88 70.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.999 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -65.0 -33.76 76.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.761 178.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -81.12 -12.58 59.21 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.929 -176.009 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 122.09 14.87 4.43 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.513 -0.851 . . . . 0.0 113.195 176.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 405' ' ' CYS . . . . . 0.55 ' HB3' ' SG ' ' A' ' 414' ' ' CYS . 71.2 m -93.94 147.65 22.9 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.166 0.508 . . . . 0.0 111.293 179.644 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 406' ' ' VAL . . . . . 0.55 ' CG1' ' HA ' ' A' ' 417' ' ' LYS . 9.2 p -136.91 141.87 39.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 175.628 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 407' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -76.52 125.77 29.82 Favored 'General case' 0 N--CA 1.44 -0.956 0 C-N-CA 119.825 -0.75 . . . . 0.0 109.034 177.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -111.5 99.15 7.97 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.149 0.499 . . . . 0.0 109.777 -174.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 17.1 p -66.46 -17.15 64.63 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.58 -0.737 . . . . 0.0 111.859 -174.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -68.7 -26.33 65.23 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.293 0.568 . . . . 0.0 109.663 -178.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 12.8 p -117.36 -0.37 12.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.383 176.291 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 10.0 t30 68.94 10.28 7.84 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.318 176.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 413' ' ' LYS . . . . . 0.474 ' HA ' ' HA ' ' A' ' 392' ' ' ASP . 5.2 ptpp? -135.97 168.11 19.96 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 121.996 -0.44 . . . . 0.0 111.34 -176.437 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 414' ' ' CYS . . . . . 0.55 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 49.6 t -74.66 138.94 43.2 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.537 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -138.45 158.46 44.23 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.393 -176.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.521 HD11 ' HB3' ' A' ' 383' ' ' LYS . 56.1 tp -60.99 131.44 50.65 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 174.458 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 417' ' ' LYS . . . . . 0.55 ' HA ' ' CG1' ' A' ' 406' ' ' VAL . 18.5 pttp -48.68 129.87 16.95 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.317 0.58 . . . . 0.0 111.191 -171.47 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.86 -22.98 64.79 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-N 114.815 -1.084 . . . . 0.0 113.043 -164.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 419' ' ' ASP . . . . . 0.602 ' O ' ' HD3' ' A' ' 423' ' ' LYS . 33.7 t70 -63.75 -37.68 88.28 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.095 0.474 . . . . 0.0 110.346 176.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 93.6 t -76.1 -41.6 37.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.254 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 19.6 ttmt -68.28 -36.2 79.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.896 0.379 . . . . 0.0 110.652 -179.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -59.78 -44.58 93.83 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.054 175.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 423' ' ' LYS . . . . . 0.602 ' HD3' ' O ' ' A' ' 419' ' ' ASP . 0.6 OUTLIER -81.26 -6.18 58.59 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.386 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 64.0 tp -89.34 -58.82 2.4 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.873 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 425' ' ' GLU . . . . . 0.627 ' HG3' ' HB2' ' A' ' 427' ' ' GLU . 9.6 pt-20 -98.8 0.6 44.7 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.655 -176.413 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 62.3 mttm 61.39 32.12 19.08 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.672 176.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . 0.627 ' HB2' ' HG3' ' A' ' 425' ' ' GLU . 0.8 OUTLIER -82.44 44.61 0.89 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.683 0.754 . . . . 0.0 110.236 -175.136 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 18.6 p -101.61 -55.9 2.41 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.397 172.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -108.26 -24.58 11.43 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.859 175.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -102.71 89.57 3.54 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.371 0.605 . . . . 0.0 110.715 -178.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 431' ' ' THR . . . . . . . . . . . . . 26.4 m -101.0 -32.41 10.64 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.735 177.066 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -97.45 159.01 15.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.072 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 96.9 17.68 31.9 Favored Glycine 0 N--CA 1.449 -0.473 0 N-CA-C 109.998 -1.241 . . . . 0.0 109.998 -171.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -88.47 -8.6 54.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.374 -0.913 . . . . 0.0 111.309 -174.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 32.4 t70 64.17 75.97 0.36 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.415 0.626 . . . . 0.0 109.35 -170.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.0 -69.75 0.16 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.197 -0.911 . . . . 0.0 109.052 178.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 17.1 pttm -139.53 -1.51 1.67 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.877 169.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -166.2 102.73 0.63 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.932 178.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -83.28 25.44 0.72 Allowed 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.201 -178.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 22.7 m 65.5 76.79 0.32 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.511 0.672 . . . . 0.0 109.651 -173.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 27.0 m -79.15 107.62 12.05 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.589 -177.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . 118.74 146.63 8.02 Favored Glycine 0 N--CA 1.443 -0.849 0 C-N-CA 121.063 -0.589 . . . . 0.0 111.633 -177.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 8.7 t . . . . . 0 C--O 1.251 1.163 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 -179.268 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.55 0 N-CA-C 111.96 -0.456 . . . . 0.0 111.96 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 19.3 m 68.94 -178.39 0.22 Allowed 'General case' 0 C--O 1.235 0.294 0 C-N-CA 123.057 0.543 . . . . 0.0 110.671 -177.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 90.6 mttt 66.94 -84.1 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.98 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 374' ' ' LYS . . . . . . . . . . . . . 68.3 mttm 59.35 98.8 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.093 0.557 . . . . 0.0 112.086 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 375' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 63.28 -160.75 0.3 Allowed 'General case' 0 C--O 1.233 0.191 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.495 -178.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -102.2 96.15 6.79 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.799 0.333 . . . . 0.0 110.229 177.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 377' ' ' THR . . . . . . . . . . . . . 12.1 p -58.4 106.61 0.4 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.217 176.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 378' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -60.22 -45.08 94.43 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.437 -172.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 49.2 m -58.02 -52.13 66.8 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.046 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -65.01 -41.75 95.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.165 179.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -59.06 -58.63 7.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.506 -175.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 382' ' ' ASN . . . . . 0.572 ' O ' HG13 ' A' ' 386' ' ' ILE . 2.9 p30 -70.15 -32.25 70.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.058 -173.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 383' ' ' LYS . . . . . 0.452 ' HB3' HD13 ' A' ' 416' ' ' LEU . 13.3 mptt -68.74 -46.23 69.41 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -179.667 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -59.15 -41.36 88.16 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.296 177.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 19.5 tptm -67.58 -29.05 68.31 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.973 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 386' ' ' ILE . . . . . 0.572 HG13 ' O ' ' A' ' 382' ' ' ASN . 79.6 mt -65.54 -44.14 94.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 175.007 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 14.4 m -61.59 -41.89 98.08 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.113 175.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.59 -17.76 61.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.565 -177.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -77.86 -22.84 49.23 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.25 0.548 . . . . 0.0 110.586 176.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -87.41 -35.24 18.42 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.036 178.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 45.0 mtmt 67.23 -86.34 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 114.971 -1.013 . . . . 0.0 112.366 174.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -121.93 -9.22 8.79 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.64 -171.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -75.51 85.99 2.61 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.525 0.678 . . . . 0.0 110.568 -175.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -53.95 -45.32 71.27 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.362 -1.29 . . . . 0.0 112.725 -172.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . 0.404 ' HD2' ' HA ' ' A' ' 395' ' ' LYS . 38.7 tptt -64.06 -40.23 95.82 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.911 -0.316 . . . . 0.0 111.081 -175.088 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 396' ' ' ALA . . . . . 0.474 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -63.08 -31.95 73.21 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.646 0.736 . . . . 0.0 109.922 177.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . 0.507 ' HA ' ' CD1' ' A' ' 400' ' ' LEU . 86.3 m -76.94 -35.99 56.88 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 114.911 -1.041 . . . . 0.0 111.31 -178.354 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -55.96 -36.5 67.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.811 0.339 . . . . 0.0 110.284 171.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 41.2 m-80 -64.42 -46.25 84.05 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.201 178.082 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . 0.507 ' CD1' ' HA ' ' A' ' 397' ' ' CYS . 1.8 pp -98.44 18.7 15.93 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.895 0.379 . . . . 0.0 111.779 -177.618 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . 0.634 ' HA ' ' O ' ' A' ' 405' ' ' CYS . 14.1 tmtt? -56.52 -46.65 80.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.211 179.105 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -62.06 -19.59 63.08 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.625 -176.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 403' ' ' LYS . . . . . 0.455 ' HD2' ' HB2' ' A' ' 400' ' ' LEU . 61.8 mttp -76.02 -20.99 57.35 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.518 -178.422 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 404' ' ' GLY . . . . . 0.405 ' O ' HD11 ' A' ' 416' ' ' LEU . . . 136.59 -6.6 3.87 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.381 177.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 405' ' ' CYS . . . . . 0.634 ' O ' ' HA ' ' A' ' 401' ' ' LYS . 73.3 m -94.89 113.54 25.28 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.151 0.501 . . . . 0.0 111.638 -175.048 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 406' ' ' VAL . . . . . 0.561 HG21 ' HB2' ' A' ' 417' ' ' LYS . 39.5 t -110.92 136.6 46.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 175.731 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 407' ' ' PHE . . . . . 0.535 ' HD1' ' SG ' ' A' ' 414' ' ' CYS . 27.0 t80 -75.16 122.37 23.52 Favored 'General case' 0 N--CA 1.44 -0.955 0 C-N-CA 119.858 -0.737 . . . . 0.0 109.711 178.075 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -99.14 110.3 22.88 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 -179.299 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 2.7 p -76.04 -15.97 60.03 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.927 0.394 . . . . 0.0 111.585 -177.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -84.39 -52.91 5.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.075 178.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 20.7 m -71.9 -24.78 61.71 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.084 0.468 . . . . 0.0 109.786 175.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 70.14 47.51 0.56 Allowed 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.295 175.58 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -161.0 161.15 31.4 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.284 174.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 414' ' ' CYS . . . . . 0.535 ' SG ' ' HD1' ' A' ' 407' ' ' PHE . 59.9 m -73.97 118.08 16.5 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 172.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -127.81 133.53 49.42 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.574 -168.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.531 HD23 ' HD3' ' A' ' 421' ' ' LYS . 36.4 tp -58.24 128.13 35.58 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 174.213 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 417' ' ' LYS . . . . . 0.561 ' HB2' HG21 ' A' ' 406' ' ' VAL . 23.0 tptp -74.74 86.64 2.19 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 -176.732 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . 0.566 ' O ' ' HB2' ' A' ' 422' ' ' GLU . 16.2 ptmt -63.03 -26.84 69.04 Favored 'General case' 0 C--O 1.22 -0.46 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.764 -174.679 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.2 -51.41 53.8 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.76 178.657 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 76.6 t -69.58 -42.91 80.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 120.837 0.351 . . . . 0.0 110.328 178.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . 0.531 ' HD3' HD23 ' A' ' 416' ' ' LEU . 3.6 ttpp -65.21 -27.82 68.95 Favored 'General case' 0 C--O 1.213 -0.855 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.304 -179.557 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 422' ' ' GLU . . . . . 0.566 ' HB2' ' O ' ' A' ' 418' ' ' LYS . 1.4 tp10 -72.81 -42.38 63.9 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.274 0.559 . . . . 0.0 109.536 -178.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 423' ' ' LYS . . . . . 0.517 ' O ' ' HG2' ' A' ' 426' ' ' LYS . 88.0 tttt -65.74 -37.94 87.76 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.181 177.314 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 56.4 tp -75.67 -34.73 60.48 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.791 178.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 425' ' ' GLU . . . . . 0.515 ' HB2' ' O ' ' A' ' 421' ' ' LYS . 6.8 tp10 -55.84 -58.29 8.47 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.516 0.674 . . . . 0.0 109.454 179.261 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 426' ' ' LYS . . . . . 0.858 ' HG3' ' HE2' ' A' ' 429' ' ' LYS . 2.3 mmpm? 65.62 -178.2 0.19 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 114.239 -1.346 . . . . 0.0 112.775 177.107 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . 0.453 ' OE1' ' HD3' ' A' ' 426' ' ' LYS . 0.0 OUTLIER -148.14 -41.25 0.16 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.785 -1.098 . . . . 0.0 110.76 -171.411 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 19.6 m -100.63 34.22 2.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.806 -177.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 429' ' ' LYS . . . . . 0.858 ' HE2' ' HG3' ' A' ' 426' ' ' LYS . 60.5 mttm -104.78 18.32 22.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.777 0.322 . . . . 0.0 110.975 177.586 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -95.98 103.47 15.36 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 178.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 431' ' ' THR . . . . . . . . . . . . . 16.2 m -64.8 -45.94 84.14 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.335 0.588 . . . . 0.0 109.577 175.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 432' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' ' 434' ' ' LYS . 18.5 tp10 -78.83 107.18 11.36 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 171.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -57.75 -44.48 94.14 Favored Glycine 0 C--N 1.33 0.224 0 O-C-N 123.645 0.591 . . . . 0.0 113.014 -173.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 434' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' A' ' 432' ' ' GLU . 60.8 mttp 72.01 -64.94 0.37 Allowed 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 123.235 0.614 . . . . 0.0 111.145 178.435 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 435' ' ' ASP . . . . . 0.834 ' HA ' ' HB2' ' A' ' 439' ' ' ASN . 29.9 m-20 -76.48 81.64 3.19 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 177.697 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -128.43 -45.84 1.34 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.123 -175.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 24.4 tptp -68.05 -64.63 0.82 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.41 -174.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -163.59 33.22 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.678 0.752 . . . . 0.0 109.03 178.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 439' ' ' ASN . . . . . 0.834 ' HB2' ' HA ' ' A' ' 435' ' ' ASP . 10.2 m120 -90.31 126.36 35.83 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.947 -1.024 . . . . 0.0 111.49 -170.235 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 12.3 m 70.83 -68.67 0.2 Allowed 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 112.97 0.73 . . . . 0.0 112.97 171.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 51.7 m -99.44 111.69 24.0 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.958 0.408 . . . . 0.0 110.792 -176.326 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . -96.66 35.09 4.59 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 121.012 -0.613 . . . . 0.0 112.013 179.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 32.9 m . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.806 -0.616 . . . . 0.0 109.552 178.143 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.667 0 N-CA-C 112.103 -0.399 . . . . 0.0 112.103 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 27.5 t -108.09 111.47 23.52 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 178.245 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -105.18 104.47 14.21 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.333 0.587 . . . . 0.0 111.2 -175.844 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 374' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -133.54 109.59 9.35 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.422 176.013 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 375' ' ' GLN . . . . . . . . . . . . . 14.3 tm0? -78.89 96.27 5.64 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 177.031 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -100.24 138.63 37.05 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.22 -177.875 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 377' ' ' THR . . . . . 0.669 HG22 ' HB2' ' A' ' 381' ' ' GLU . 0.3 OUTLIER -65.88 -64.7 0.8 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.315 -179.664 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 378' ' ' GLU . . . . . 0.412 ' HB2' ' H ' ' A' ' 379' ' ' SER . 11.3 pt-20 37.23 -149.65 0.01 OUTLIER 'General case' 0 C--O 1.241 0.656 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 173.125 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 379' ' ' SER . . . . . 0.412 ' H ' ' HB2' ' A' ' 378' ' ' GLU . 14.7 m -58.28 -30.75 66.86 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 114.572 -1.194 . . . . 0.0 111.892 -175.321 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -53.34 -47.24 69.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.878 0.371 . . . . 0.0 110.479 177.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 381' ' ' GLU . . . . . 0.669 ' HB2' HG22 ' A' ' 377' ' ' THR . 11.2 tp10 -66.51 -40.99 89.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.099 -179.662 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 382' ' ' ASN . . . . . 0.493 ' O ' HG13 ' A' ' 386' ' ' ILE . 22.0 m-80 -61.32 -52.21 65.63 Favored 'General case' 0 CA--C 1.507 -0.697 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.783 179.054 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 383' ' ' LYS . . . . . 0.55 ' HB3' HD11 ' A' ' 416' ' ' LEU . 1.7 mptm? -57.08 -45.84 83.02 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.658 179.32 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -55.32 -50.61 69.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.687 174.005 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -54.57 -40.7 69.04 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.273 0.472 . . . . 0.0 112.273 178.807 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 386' ' ' ILE . . . . . 0.493 HG13 ' O ' ' A' ' 382' ' ' ASN . 51.5 mt -68.48 -41.17 83.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 121.099 0.476 . . . . 0.0 109.916 -178.87 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 38.9 m -68.27 -44.9 74.54 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.513 177.112 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -66.66 -27.37 67.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.04 -175.664 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -63.63 -16.38 60.8 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.338 0.495 . . . . 0.0 112.338 178.391 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -85.76 -26.4 25.85 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.188 0.518 . . . . 0.0 109.829 178.166 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 60.9 mttm 55.34 -103.07 0.17 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 114.718 -1.128 . . . . 0.0 113.153 176.402 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -98.68 -21.33 16.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.918 -168.578 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -78.32 104.22 8.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.284 0.564 . . . . 0.0 110.666 -177.357 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -64.02 -37.73 88.48 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.186 -0.916 . . . . 0.0 111.282 -178.448 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -62.3 -45.18 94.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.445 -177.372 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 396' ' ' ALA . . . . . 0.478 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -64.44 -39.75 94.43 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-O 120.795 0.331 . . . . 0.0 110.393 178.761 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 44.3 t -57.77 -50.75 72.21 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.525 0.678 . . . . 0.0 110.401 177.053 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 398' ' ' GLU . . . . . 0.787 ' HA ' ' HB2' ' A' ' 401' ' ' LYS . 34.9 mt-10 -80.32 0.5 32.66 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.4 -177.366 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -80.65 -43.69 20.03 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.249 0.547 . . . . 0.0 109.588 168.333 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 1.3 pp -97.23 14.38 26.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.332 176.881 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . 0.787 ' HB2' ' HA ' ' A' ' 398' ' ' GLU . 57.2 tptt -41.99 -36.6 1.15 Allowed 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 114.336 -1.302 . . . . 0.0 112.96 174.502 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -61.41 -21.88 64.5 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 120.616 0.246 . . . . 0.0 111.603 -176.5 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -75.3 -6.77 51.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.914 0.387 . . . . 0.0 110.748 179.175 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 100.3 16.1 28.35 Favored Glycine 0 N--CA 1.447 -0.628 0 N-CA-C 111.659 -0.577 . . . . 0.0 111.659 -178.303 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 71.3 m -89.27 103.93 16.52 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 121.181 0.515 . . . . 0.0 110.927 -178.2 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 2.5 p -101.6 122.36 53.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.874 176.27 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 407' ' ' PHE . . . . . 0.576 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 36.7 t80 -64.15 123.35 18.84 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 179.157 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -99.72 108.66 21.04 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.201 -176.074 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 4.2 p -76.51 -22.78 54.01 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.263 -178.487 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -63.91 -41.04 97.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.897 0.379 . . . . 0.0 110.779 -177.87 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 16.3 m -108.13 0.68 21.73 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 179.441 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 5.7 t30 54.99 69.61 0.71 Allowed 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.312 -179.233 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 413' ' ' LYS . . . . . 0.466 ' HZ2' ' CD ' ' A' ' 415' ' ' GLU . 17.0 pttp -177.3 145.79 0.46 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.447 174.82 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 414' ' ' CYS . . . . . 0.576 ' HA ' ' HA ' ' A' ' 407' ' ' PHE . 53.4 t -70.49 123.11 21.01 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 176.207 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 415' ' ' GLU . . . . . 0.466 ' CD ' ' HZ2' ' A' ' 413' ' ' LYS . 40.2 mt-10 -136.09 172.26 13.27 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.408 -176.928 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.907 HD23 ' HD3' ' A' ' 418' ' ' LYS . 24.5 tp -79.4 153.33 29.79 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 417' ' ' LYS . . . . . 0.758 ' HD2' ' HG ' ' A' ' 416' ' ' LEU . 0.0 OUTLIER -51.13 -23.09 2.91 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 123.313 0.383 . . . . 0.0 111.942 -179.623 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . 0.907 ' HD3' HD23 ' A' ' 416' ' ' LEU . 19.3 mtpp -49.12 -54.0 18.19 Favored 'General case' 0 CA--C 1.517 -0.298 0 C-N-CA 122.996 0.518 . . . . 0.0 112.185 178.341 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 419' ' ' ASP . . . . . 0.484 ' O ' ' HG2' ' A' ' 423' ' ' LYS . 15.0 t70 -68.87 -41.07 78.9 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.159 -172.68 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 94.5 t -66.25 -44.58 91.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.849 -179.606 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 25.6 ttmt -72.02 -23.33 61.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.102 0.477 . . . . 0.0 110.239 179.025 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 422' ' ' GLU . . . . . 0.436 ' HB3' ' O ' ' A' ' 419' ' ' ASP . 34.8 tt0 -64.04 -41.82 97.27 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.798 172.137 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 423' ' ' LYS . . . . . 0.484 ' HG2' ' O ' ' A' ' 419' ' ' ASP . 46.7 mmtm -75.47 -13.83 60.4 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.271 178.754 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 63.8 tp -83.45 -36.74 23.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.098 174.317 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -73.0 -41.32 64.4 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 176.379 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 42.6 tptt -64.11 116.68 6.17 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.364 172.602 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 59.97 51.15 6.09 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.567 -175.536 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 34.4 p -55.44 104.18 0.12 Allowed 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.057 -178.24 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 429' ' ' LYS . . . . . 0.416 ' HB3' ' HE2' ' A' ' 429' ' ' LYS . 15.1 ptpt -120.0 -46.86 2.41 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.407 -176.682 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . 0.458 ' O ' ' HD3' ' A' ' 434' ' ' LYS . 43.8 mt-10 63.96 -74.67 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 O-C-N 123.729 0.643 . . . . 0.0 111.435 -177.598 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 431' ' ' THR . . . . . . . . . . . . . 7.5 p -136.91 77.88 1.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.662 0.744 . . . . 0.0 110.578 179.732 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -90.98 4.6 51.62 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.853 179.374 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 139.93 61.86 0.04 OUTLIER Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.774 -0.727 . . . . 0.0 111.32 -174.356 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 434' ' ' LYS . . . . . 0.471 ' HB2' ' HZ3' ' A' ' 434' ' ' LYS . 0.0 OUTLIER -147.94 136.08 21.28 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.13 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 435' ' ' ASP . . . . . 0.451 ' HA ' ' HB3' ' A' ' 439' ' ' ASN . 3.7 m-20 58.77 -154.35 0.37 Allowed 'General case' 0 C--N 1.327 -0.382 0 O-C-N 123.322 0.389 . . . . 0.0 110.274 178.689 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 62.89 16.46 9.17 Favored 'General case' 0 N--CA 1.468 0.473 0 O-C-N 123.718 0.636 . . . . 0.0 111.336 175.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 28.4 ttmt 173.23 -63.72 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.188 -178.68 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -116.13 110.97 19.57 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.169 -175.764 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 439' ' ' ASN . . . . . 0.451 ' HB3' ' HA ' ' A' ' 435' ' ' ASP . 32.7 p-10 -162.54 -34.2 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.356 178.501 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 67.9 p 58.3 173.67 0.06 Allowed 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 124.438 1.095 . . . . 0.0 113.134 173.541 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 12.0 t -125.75 -1.22 7.33 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 173.124 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . -162.81 120.56 0.95 Allowed Glycine 0 N--CA 1.444 -0.826 0 CA-C-N 114.545 -1.207 . . . . 0.0 110.32 177.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 60.4 p . . . . . 0 C--O 1.251 1.175 0 CA-C-O 118.294 -0.86 . . . . 0.0 110.895 -173.035 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.621 0 N-CA-C 111.734 -0.546 . . . . 0.0 111.734 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 3.5 p -91.68 -41.82 10.51 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.999 0.428 . . . . 0.0 110.576 179.462 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -85.04 -23.81 28.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.409 0.623 . . . . 0.0 109.623 175.173 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 374' ' ' LYS . . . . . 0.527 ' NZ ' ' HA ' ' A' ' 425' ' ' GLU . 20.0 mmmt -94.57 99.48 11.61 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.876 -171.472 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 375' ' ' GLN . . . . . . . . . . . . . 53.5 tp60 -87.13 -30.6 20.95 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.236 0.541 . . . . 0.0 109.844 174.458 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -138.2 113.97 9.82 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.631 -179.369 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 377' ' ' THR . . . . . . . . . . . . . 9.9 t -87.99 -20.41 25.88 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 174.259 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 378' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -55.52 -39.3 70.35 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 114.813 -1.085 . . . . 0.0 111.058 178.778 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 379' ' ' SER . . . . . 0.53 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 6.2 m -53.66 -53.35 53.13 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.351 -177.524 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 380' ' ' ALA . . . . . 0.601 ' HB3' ' HG ' ' A' ' 424' ' ' LEU . . . -70.73 -41.04 72.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.818 0.342 . . . . 0.0 110.347 178.672 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -55.01 -57.86 9.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.536 -175.848 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 382' ' ' ASN . . . . . 0.524 ' O ' HG13 ' A' ' 386' ' ' ILE . 1.9 p30 -75.72 -37.35 59.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.131 -174.882 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 383' ' ' LYS . . . . . 0.53 ' HB2' ' O ' ' A' ' 379' ' ' SER . 10.8 mptt -66.46 -46.07 77.63 Favored 'General case' 0 CA--C 1.517 -0.299 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.124 -178.028 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -58.45 -46.81 85.8 Favored 'General case' 0 C--O 1.222 -0.373 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.02 175.242 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -60.78 -34.7 74.88 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.388 -179.077 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 386' ' ' ILE . . . . . 0.524 HG13 ' O ' ' A' ' 382' ' ' ASN . 75.9 mt -68.89 -48.58 69.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 178.254 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 62.8 m -64.01 -42.39 97.16 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.827 179.159 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -76.31 -17.33 59.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.723 -174.496 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -62.5 -27.61 69.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.28 176.731 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -77.3 -24.03 50.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.113 0.482 . . . . 0.0 109.748 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 56.5 mttp 58.93 -108.21 0.39 Allowed 'General case' 0 C--O 1.234 0.269 0 CA-C-N 114.957 -1.019 . . . . 0.0 111.74 174.707 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -101.93 -0.61 33.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.734 -177.034 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -85.32 106.48 16.74 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.084 0.469 . . . . 0.0 110.151 -178.631 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 394' ' ' GLN . . . . . 0.429 ' O ' ' HG2' ' A' ' 398' ' ' GLU . 6.3 tt0 -69.54 -40.01 77.12 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.43 -176.599 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -60.68 -42.05 96.34 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.933 0.397 . . . . 0.0 110.875 -176.811 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 396' ' ' ALA . . . . . 0.477 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -62.11 -36.69 82.49 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.106 175.941 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 7.9 t -69.29 -39.16 78.49 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.597 -179.781 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 398' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' A' ' 394' ' ' GLN . 62.3 mm-40 -62.03 -27.15 68.68 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.58 176.817 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -79.15 -25.62 42.86 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.259 174.532 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 92.6 mt -91.05 1.82 56.79 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.94 179.691 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 17.7 mmtp -51.62 -36.68 46.81 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 123.078 0.551 . . . . 0.0 111.324 175.376 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -56.15 -39.4 72.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.671 177.837 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 403' ' ' LYS . . . . . 0.414 ' HD2' ' N ' ' A' ' 403' ' ' LYS . 3.2 mptp? -79.44 -15.44 57.81 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.816 -174.351 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 108.88 10.59 24.33 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.505 -0.855 . . . . 0.0 111.969 -177.314 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 58.7 m -84.23 132.39 34.65 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 178.49 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 406' ' ' VAL . . . . . 0.486 ' CG2' ' HB3' ' A' ' 417' ' ' LYS . 65.2 t -131.78 128.65 60.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 178.353 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 407' ' ' PHE . . . . . 0.428 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 26.3 t80 -65.98 120.61 13.42 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-O 121.325 0.583 . . . . 0.0 109.707 177.4 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -105.91 108.88 20.63 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.299 -175.338 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.65 -14.06 60.35 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.921 0.391 . . . . 0.0 111.597 -177.364 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -55.95 -52.29 64.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.08 171.931 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 42.4 t -98.28 -8.96 26.24 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.205 -179.786 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 6.3 t30 55.66 68.12 0.91 Allowed 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.008 -171.901 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 6.1 tppp? -166.32 143.7 5.22 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.133 -172.096 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 414' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 407' ' ' PHE . 51.2 t -75.94 120.22 20.98 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.741 -0.836 . . . . 0.0 108.741 169.732 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -137.22 152.94 50.42 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.268 -174.756 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.428 ' HG ' HG22 ' A' ' 420' ' ' VAL . 36.2 tp -64.32 119.47 10.36 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 175.413 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 417' ' ' LYS . . . . . 0.486 ' HB3' ' CG2' ' A' ' 406' ' ' VAL . 65.6 pttt -55.34 146.41 19.51 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.156 0.503 . . . . 0.0 111.088 -172.078 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . 0.413 ' HE3' ' HB2' ' A' ' 418' ' ' LYS . 15.2 ptmt -60.84 -27.78 68.33 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.597 -0.729 . . . . 0.0 112.253 -171.452 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -65.03 -42.14 94.63 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.019 0.438 . . . . 0.0 111.445 -176.026 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 420' ' ' VAL . . . . . 0.428 HG22 ' HG ' ' A' ' 416' ' ' LEU . 10.4 m -82.7 -31.66 9.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 C-N-CA 120.719 -0.393 . . . . 0.0 111.069 -179.921 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -71.5 -32.24 68.0 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.612 177.656 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -75.02 -28.79 60.62 Favored 'General case' 0 C--O 1.218 -0.584 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 176.26 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 423' ' ' LYS . . . . . 0.604 ' HD3' ' O ' ' A' ' 423' ' ' LYS . 8.4 tmtt? -69.7 -31.32 69.28 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.438 0.637 . . . . 0.0 109.486 174.697 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 424' ' ' LEU . . . . . 0.601 ' HG ' ' HB3' ' A' ' 380' ' ' ALA . 3.2 tm? -63.51 -39.88 95.59 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.917 177.696 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 425' ' ' GLU . . . . . 0.527 ' HA ' ' NZ ' ' A' ' 374' ' ' LYS . 44.2 mm-40 -77.71 -50.38 12.53 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.66 173.343 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.09 78.53 8.14 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.071 -177.828 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -72.25 -37.44 69.1 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.699 172.492 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 69.6 m -158.37 -35.98 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.54 178.838 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -118.49 62.89 0.77 Allowed 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 112.443 0.535 . . . . 0.0 112.443 -172.898 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 37.21 -95.64 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.225 1.01 . . . . 0.0 113.474 177.822 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 431' ' ' THR . . . . . 0.451 ' O ' ' HB3' ' A' ' 432' ' ' GLU . 8.3 t -157.78 -18.57 0.08 Allowed 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 -175.096 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 432' ' ' GLU . . . . . 0.451 ' HB3' ' O ' ' A' ' 431' ' ' THR . 10.8 tp10 70.63 100.42 0.06 Allowed 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.483 0.659 . . . . 0.0 110.435 -176.585 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 96.55 -94.14 1.59 Allowed Glycine 0 N--CA 1.447 -0.587 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.349 -177.645 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 60.7 pttt -157.9 -177.5 6.62 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 175.074 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -78.19 12.55 1.82 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.557 -173.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -59.05 -40.47 85.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.19 0.519 . . . . 0.0 110.352 177.335 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -104.12 18.67 21.59 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.496 -177.97 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -142.77 -94.12 0.12 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.563 -176.953 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 59.3 m-80 -85.17 79.93 9.39 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-O 121.033 0.444 . . . . 0.0 110.895 -175.363 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 24.4 m -105.0 104.76 14.56 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.223 176.408 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 10.3 t -76.07 145.11 40.35 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.359 -179.832 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . 79.24 54.5 4.04 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.602 -0.808 . . . . 0.0 112.282 -178.945 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 56.1 m . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.659 -0.686 . . . . 0.0 109.677 177.198 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.863 0 N-CA-C 112.364 -0.294 . . . . 0.0 112.364 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 48.8 m -80.31 82.67 6.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.345 0.593 . . . . 0.0 110.569 -178.401 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -149.45 -64.23 0.22 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.592 -178.699 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 374' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -82.06 -61.6 1.86 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.78 -177.732 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 375' ' ' GLN . . . . . 0.48 ' HA ' ' OE1' ' A' ' 378' ' ' GLU . 16.3 tt0 -170.14 133.07 1.11 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 176.741 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 178.66 -64.96 0.01 OUTLIER 'General case' 0 CA--C 1.518 -0.275 0 CA-C-O 121.314 0.578 . . . . 0.0 111.427 177.712 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 377' ' ' THR . . . . . 0.557 ' O ' ' HG2' ' A' ' 381' ' ' GLU . 33.8 p -99.57 -30.8 11.93 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 115.143 -0.935 . . . . 0.0 112.817 -169.861 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 378' ' ' GLU . . . . . 0.48 ' OE1' ' HA ' ' A' ' 375' ' ' GLN . 0.2 OUTLIER -57.64 -33.89 68.76 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 111.911 0.338 . . . . 0.0 111.911 -169.876 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 379' ' ' SER . . . . . 0.4 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 10.8 p -62.8 -46.22 88.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.957 0.408 . . . . 0.0 110.79 178.717 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -69.16 -41.84 76.72 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.782 179.526 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 381' ' ' GLU . . . . . 0.557 ' HG2' ' O ' ' A' ' 377' ' ' THR . 17.3 mm-40 -53.77 -58.94 5.41 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.377 -177.826 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 382' ' ' ASN . . . . . 0.495 ' O ' HG13 ' A' ' 386' ' ' ILE . 3.4 p30 -72.62 -30.77 64.62 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.183 -174.134 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 383' ' ' LYS . . . . . 0.632 ' HB3' HD13 ' A' ' 416' ' ' LEU . 13.4 mptt -68.72 -43.17 76.52 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-O 120.993 0.425 . . . . 0.0 109.889 -179.29 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -57.53 -39.51 76.75 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.041 175.872 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -68.75 -37.68 79.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.545 178.908 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 386' ' ' ILE . . . . . 0.495 HG13 ' O ' ' A' ' 382' ' ' ASN . 80.8 mt -63.07 -46.93 94.87 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.341 0 CA-C-O 121.269 0.557 . . . . 0.0 109.527 177.927 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 61.7 m -62.2 -44.57 96.28 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.732 177.915 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -74.75 -19.58 60.16 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -174.727 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -72.71 -11.62 60.7 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.84 0.352 . . . . 0.0 110.925 176.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -90.92 -14.88 30.78 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 175.415 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 391' ' ' LYS . . . . . 0.59 ' HZ2' ' HB3' ' A' ' 391' ' ' LYS . 8.3 mtpm? 54.78 -99.88 0.1 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 114.477 -1.238 . . . . 0.0 112.31 178.621 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -128.15 13.05 6.67 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.305 -174.682 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -83.33 98.36 9.4 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.281 178.593 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -62.29 -32.56 73.3 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 121.138 -0.225 . . . . 0.0 110.939 -178.908 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -57.68 -51.99 67.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.992 0.425 . . . . 0.0 110.051 175.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 396' ' ' ALA . . . . . 0.567 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -66.23 -34.9 79.06 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.342 -179.523 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . 0.516 ' SG ' ' HD2' ' A' ' 407' ' ' PHE . 59.9 m -62.61 -42.48 99.6 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.349 176.703 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -60.37 -33.93 73.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.797 0.332 . . . . 0.0 110.992 176.594 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 38.0 m-80 -65.59 -52.62 50.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.095 177.746 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 1.8 pp -95.49 15.62 19.2 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 111.976 0.362 . . . . 0.0 111.976 -175.59 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -62.1 -33.63 74.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.43 0.634 . . . . 0.0 109.368 176.104 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 402' ' ' GLU . . . . . 0.433 ' HG3' ' HG3' ' A' ' 403' ' ' LYS . 3.3 pt-20 -59.67 -25.06 64.43 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.584 176.301 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 403' ' ' LYS . . . . . 0.433 ' HG3' ' HG3' ' A' ' 402' ' ' GLU . 59.1 mttp -89.88 2.49 54.94 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.476 -172.871 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 103.02 17.59 17.93 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.218 -0.992 . . . . 0.0 112.786 176.783 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 71.5 m -104.71 137.66 42.18 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.273 177.703 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 406' ' ' VAL . . . . . 0.634 ' HB ' ' HD3' ' A' ' 417' ' ' LYS . 10.9 p -125.27 140.38 48.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.949 179.505 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 407' ' ' PHE . . . . . 0.516 ' HD2' ' SG ' ' A' ' 397' ' ' CYS . 37.6 t80 -84.23 130.87 34.79 Favored 'General case' 0 N--CA 1.441 -0.898 0 CA-C-O 121.446 0.641 . . . . 0.0 110.478 179.206 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 408' ' ' ASN . . . . . 0.453 ' O ' ' HA ' ' A' ' 412' ' ' ASN . 52.1 t-20 -99.53 122.5 42.68 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.397 -0.82 . . . . 0.0 108.842 179.17 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 17.4 p -91.7 -11.34 37.18 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.941 0.401 . . . . 0.0 111.383 -176.847 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -82.27 -59.27 2.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.682 176.678 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 4.4 m -77.9 -17.51 57.21 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.05 177.075 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 412' ' ' ASN . . . . . 0.453 ' HA ' ' O ' ' A' ' 408' ' ' ASN . 4.8 t30 60.88 66.59 0.89 Allowed 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.144 -0.934 . . . . 0.0 110.598 178.673 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -172.35 159.63 4.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.671 179.438 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 414' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.02 138.64 39.71 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.405 174.477 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -140.1 165.61 26.9 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.785 175.312 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.632 HD13 ' HB3' ' A' ' 383' ' ' LYS . 44.9 tp -69.42 134.65 49.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.719 0.295 . . . . 0.0 110.619 178.708 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 417' ' ' LYS . . . . . 0.634 ' HD3' ' HB ' ' A' ' 406' ' ' VAL . 44.2 tptt -67.01 94.46 0.33 Allowed 'General case' 0 C--O 1.238 0.478 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.874 -177.627 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -64.84 -35.34 80.8 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.272 -176.908 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 419' ' ' ASP . . . . . 0.418 ' HB2' ' HE3' ' A' ' 417' ' ' LYS . 7.6 m-20 -50.39 -58.03 6.63 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-O 121.513 0.673 . . . . 0.0 111.132 -178.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 68.3 t -63.0 -49.22 84.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.859 -177.775 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . 0.415 ' HA ' ' HB3' ' A' ' 424' ' ' LEU . 4.3 tmmm? -69.69 -24.35 63.57 Favored 'General case' 0 C--O 1.214 -0.802 0 C-N-CA 120.401 -0.52 . . . . 0.0 111.701 -176.803 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -65.95 -49.49 67.72 Favored 'General case' 0 C--N 1.316 -0.891 0 O-C-N 121.952 -0.467 . . . . 0.0 110.119 179.177 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 6.3 ptpp? -81.79 -3.2 53.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.047 178.401 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 424' ' ' LEU . . . . . 0.415 ' HB3' ' HA ' ' A' ' 421' ' ' LYS . 8.2 tt -96.02 -39.32 9.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.764 174.414 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -63.01 -54.05 44.31 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.788 -178.61 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 22.3 ttpp -146.51 104.07 3.73 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.604 176.565 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -109.85 -34.55 6.41 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 172.672 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 4.5 p -151.47 79.93 1.29 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.554 178.834 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp -99.94 -30.7 11.86 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 170.595 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -77.39 91.93 3.91 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 114.778 -1.101 . . . . 0.0 110.339 179.214 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 431' ' ' THR . . . . . . . . . . . . . 1.9 p -86.83 24.98 1.36 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.459 0.647 . . . . 0.0 111.16 178.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -148.37 47.22 1.05 Allowed 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 121.703 0.763 . . . . 0.0 109.277 179.295 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -106.53 35.62 4.93 Favored Glycine 0 N--CA 1.449 -0.488 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 179.539 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 434' ' ' LYS . . . . . 0.433 ' HE3' ' HB2' ' A' ' 434' ' ' LYS . 20.5 ttmt 67.41 22.11 9.5 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 121.918 0.866 . . . . 0.0 109.475 -177.122 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 435' ' ' ASP . . . . . 0.658 ' HA ' ' HB2' ' A' ' 439' ' ' ASN . 7.5 p-10 -82.85 -136.28 0.04 OUTLIER 'General case' 0 C--O 1.236 0.38 0 CA-C-N 114.5 -1.227 . . . . 0.0 110.354 176.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 436' ' ' GLU . . . . . 0.428 ' HB2' ' O ' ' A' ' 435' ' ' ASP . 6.6 mm-40 70.06 -73.45 0.09 Allowed 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 122.95 0.5 . . . . 0.0 111.832 178.719 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 47.5 pttt -85.0 -52.91 5.64 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.068 -173.332 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -89.03 -56.53 3.25 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.12 0.486 . . . . 0.0 110.836 -177.355 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 439' ' ' ASN . . . . . 0.658 ' HB2' ' HA ' ' A' ' 435' ' ' ASP . 5.8 m-20 -88.13 120.28 29.33 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.988 179.172 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 11.6 t -90.85 -12.68 35.52 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.265 0.555 . . . . 0.0 110.612 -179.522 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 12.0 p -98.08 -69.57 0.75 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.082 -179.777 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . -171.54 -102.51 0.16 Allowed Glycine 0 N--CA 1.448 -0.566 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 179.627 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 9.6 t . . . . . 0 C--O 1.249 1.051 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 178.43 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.846 0 N-CA-C 112.28 -0.328 . . . . 0.0 112.28 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 7.3 p -94.45 -39.37 10.46 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.503 0.192 . . . . 0.0 110.922 179.106 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 373' ' ' LYS . . . . . 0.466 ' HE3' ' HB2' ' A' ' 373' ' ' LYS . 0.0 OUTLIER 54.18 -125.92 2.3 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.195 -177.206 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 374' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -165.8 166.72 17.52 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 176.754 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 375' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 58.85 81.72 0.16 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.347 0.594 . . . . 0.0 110.277 -178.189 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -93.98 20.04 8.31 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.635 -173.296 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 377' ' ' THR . . . . . . . . . . . . . 3.9 p -55.63 -54.3 45.88 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.743 -178.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 378' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -65.57 -46.27 80.12 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.997 -178.059 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 58.2 m -60.49 -46.83 88.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.323 -178.495 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -65.95 -38.05 87.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.697 0.284 . . . . 0.0 110.741 179.772 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -63.63 -62.56 1.58 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.814 -178.955 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 382' ' ' ASN . . . . . 0.518 ' O ' HG13 ' A' ' 386' ' ' ILE . 4.2 p30 -65.29 -33.0 74.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.523 -172.034 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 383' ' ' LYS . . . . . 0.583 ' HB3' HD21 ' A' ' 416' ' ' LEU . 5.4 mptp? -67.25 -44.46 79.35 Favored 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.273 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -58.92 -45.23 90.85 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.757 175.814 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -60.21 -39.71 87.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.21 -179.5 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 386' ' ' ILE . . . . . 0.518 HG13 ' O ' ' A' ' 382' ' ' ASN . 78.2 mt -65.67 -44.58 93.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.253 0.549 . . . . 0.0 109.762 179.891 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 59.3 m -66.42 -40.45 89.57 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.448 -0.797 . . . . 0.0 110.507 178.639 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 388' ' ' ASN . . . . . 0.435 ' N ' HD21 ' A' ' 388' ' ' ASN . 0.9 OUTLIER -79.58 -5.02 54.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.682 -179.321 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -75.7 -29.01 58.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.029 0.442 . . . . 0.0 110.022 171.015 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -85.04 -23.97 28.36 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.263 175.618 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 67.2 mttm 64.96 -91.24 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 114.629 -1.169 . . . . 0.0 111.866 173.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -129.63 14.49 5.96 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.926 0.393 . . . . 0.0 110.798 179.36 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -81.21 105.89 12.76 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.265 174.378 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 22.8 tm0? -62.55 -44.13 97.09 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 179.808 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -53.47 -51.9 61.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.277 -179.841 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 396' ' ' ALA . . . . . 0.402 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -65.82 -27.26 68.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.363 -179.298 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 27.6 t -80.63 -35.89 33.34 Favored 'General case' 0 CA--C 1.508 -0.653 0 CA-C-O 122.112 0.958 . . . . 0.0 108.499 -174.964 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 398' ' ' GLU . . . . . 0.492 ' O ' ' HB2' ' A' ' 401' ' ' LYS . 5.5 tp10 -58.74 -35.08 72.15 Favored 'General case' 0 N--CA 1.423 -1.784 0 CA-C-N 113.674 -1.603 . . . . 0.0 110.091 175.381 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -75.55 -37.03 60.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.604 175.398 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . 0.688 ' HA ' ' HD3' ' A' ' 403' ' ' LYS . 97.5 mt -82.11 6.34 16.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.076 -179.536 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . 0.511 ' HA ' ' O ' ' A' ' 405' ' ' CYS . 9.4 tptm -46.18 -47.34 17.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.505 177.205 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -65.31 -17.32 64.42 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.663 -0.698 . . . . 0.0 112.065 -176.066 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 403' ' ' LYS . . . . . 0.688 ' HD3' ' HA ' ' A' ' 400' ' ' LEU . 3.5 mptp? -91.18 -7.53 51.17 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.841 0.353 . . . . 0.0 110.843 -173.933 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 404' ' ' GLY . . . . . 0.413 ' O ' HD11 ' A' ' 416' ' ' LEU . . . 114.14 1.05 23.82 Favored Glycine 0 N--CA 1.45 -0.403 0 N-CA-C 111.593 -0.603 . . . . 0.0 111.593 -178.804 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 405' ' ' CYS . . . . . 0.654 ' HB3' ' SG ' ' A' ' 414' ' ' CYS . 82.4 m -92.53 128.13 38.27 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.293 0.568 . . . . 0.0 111.74 -174.336 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 406' ' ' VAL . . . . . 0.474 ' CG1' ' HB3' ' A' ' 417' ' ' LYS . 12.5 p -137.36 138.86 44.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 175.536 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 407' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -70.45 129.56 39.58 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-O 121.102 0.477 . . . . 0.0 110.26 -178.071 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -112.13 111.01 21.61 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.467 -179.567 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 11.2 p -80.84 -1.89 45.06 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.685 -176.461 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -69.79 -44.83 69.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.268 0.556 . . . . 0.0 109.635 176.51 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 8.3 p -108.26 -5.68 16.7 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.401 177.511 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 7.9 t30 56.4 76.2 0.31 Allowed 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.118 -0.946 . . . . 0.0 110.52 -175.142 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -165.61 172.02 12.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.741 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 414' ' ' CYS . . . . . 0.654 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 51.1 t -93.39 117.18 29.77 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 169.745 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -128.26 153.41 46.99 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.775 0.321 . . . . 0.0 110.272 -175.122 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.583 HD21 ' HB3' ' A' ' 383' ' ' LYS . 27.2 tp -73.38 86.19 1.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 173.605 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 417' ' ' LYS . . . . . 0.524 ' HG2' ' HB ' ' A' ' 420' ' ' VAL . 0.6 OUTLIER -134.2 7.21 3.65 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.213 -176.562 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . 0.439 ' HB3' ' HE3' ' A' ' 418' ' ' LYS . 12.7 ttpp -55.98 -35.91 67.29 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-O 121.552 0.691 . . . . 0.0 110.212 176.852 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -78.35 -17.06 57.03 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 114.863 -1.062 . . . . 0.0 111.289 -174.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 420' ' ' VAL . . . . . 0.524 ' HB ' ' HG2' ' A' ' 417' ' ' LYS . 61.4 t -82.6 -40.64 16.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 172.011 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -59.92 -43.74 94.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.572 172.807 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 422' ' ' GLU . . . . . 0.528 ' O ' ' HB2' ' A' ' 426' ' ' LYS . 24.6 tt0 -67.39 -38.65 85.02 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.38 -1.282 . . . . 0.0 110.484 179.188 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 30.5 ttmt -56.89 -39.02 73.61 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.384 0.611 . . . . 0.0 110.452 178.48 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 424' ' ' LEU . . . . . 0.812 HD21 ' HG2' ' A' ' 432' ' ' GLU . 66.9 mt -72.83 -66.36 0.68 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.171 -0.922 . . . . 0.0 112.02 -176.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -101.88 32.5 3.4 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.203 0.525 . . . . 0.0 111.761 -172.155 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 426' ' ' LYS . . . . . 0.528 ' HB2' ' O ' ' A' ' 422' ' ' GLU . 55.4 tttm -58.8 -38.03 77.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.289 167.602 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -167.77 -42.79 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.57 -176.073 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 428' ' ' SER . . . . . 0.424 ' O ' ' HB2' ' A' ' 429' ' ' LYS . 13.2 t -177.31 -164.35 0.09 Allowed 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.709 177.759 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 429' ' ' LYS . . . . . 0.618 ' HB3' HG21 ' A' ' 431' ' ' THR . 32.9 mtmm 111.06 -69.17 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 126.441 1.896 . . . . 0.0 111.569 172.957 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 55.56 80.96 0.12 Allowed 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 121.404 0.621 . . . . 0.0 109.472 -169.796 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 431' ' ' THR . . . . . 0.618 HG21 ' HB3' ' A' ' 429' ' ' LYS . 15.2 p -115.71 2.87 13.78 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -170.523 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 432' ' ' GLU . . . . . 0.812 ' HG2' HD21 ' A' ' 424' ' ' LEU . 8.3 mm-40 -89.53 100.83 13.55 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.333 -0.547 . . . . 0.0 111.478 -172.035 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -100.75 35.73 4.65 Favored Glycine 0 N--CA 1.448 -0.542 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 175.163 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 25.9 tptp 72.72 -43.78 0.57 Allowed 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 124.322 1.049 . . . . 0.0 111.163 -177.707 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 58.2 29.37 17.87 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.506 0.504 . . . . 0.0 111.185 177.594 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -62.05 -73.02 0.11 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.815 178.499 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -150.31 12.45 0.73 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.077 174.71 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -105.75 7.71 32.61 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.173 -0.921 . . . . 0.0 112.144 -170.925 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -83.09 68.78 9.69 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.359 0.599 . . . . 0.0 110.003 179.517 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 5.1 m -89.97 -67.79 0.82 Allowed 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 174.322 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 29.6 m -111.49 -25.15 9.74 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.157 173.153 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . 145.61 -145.59 14.9 Favored Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.439 -0.801 . . . . 0.0 111.562 179.124 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.129 -0.939 . . . . 0.0 109.02 177.665 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.722 0 N-CA-C 112.433 -0.267 . . . . 0.0 112.433 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 6.6 m -109.41 42.86 1.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 110.573 -0.158 . . . . 0.0 110.573 -177.383 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm 69.86 -63.63 0.38 Allowed 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.429 0.692 . . . . 0.0 110.844 -176.556 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 374' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -102.13 159.75 15.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.455 -178.81 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 375' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 62.05 80.65 0.22 Allowed 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.637 0.732 . . . . 0.0 111.056 178.826 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -96.87 -1.14 46.59 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.875 179.422 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 377' ' ' THR . . . . . 0.538 ' O ' ' HG2' ' A' ' 381' ' ' GLU . 1.6 p -76.39 49.26 0.58 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.988 -1.005 . . . . 0.0 111.086 178.58 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 378' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -50.68 -33.9 24.48 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.289 -174.415 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 12.4 p -58.41 -53.51 57.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.064 0.459 . . . . 0.0 110.747 178.677 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -70.52 -39.01 74.32 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.668 178.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 381' ' ' GLU . . . . . 0.538 ' HG2' ' O ' ' A' ' 377' ' ' THR . 61.2 mm-40 -58.16 -55.25 37.44 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.244 -177.069 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 382' ' ' ASN . . . . . 0.4 ' O ' HG13 ' A' ' 386' ' ' ILE . 2.3 p30 -70.83 -34.32 71.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.88 -175.739 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 383' ' ' LYS . . . . . 0.406 ' HE3' ' HB3' ' A' ' 403' ' ' LYS . 12.9 mptt -63.99 -52.27 60.37 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 178.839 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -55.7 -43.05 76.08 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.975 -1.011 . . . . 0.0 110.577 178.362 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -66.25 -43.29 86.93 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.105 -178.219 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 386' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 382' ' ' ASN . 83.5 mt -69.58 -41.36 80.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.269 -178.935 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 77.7 m -58.77 -45.0 90.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.184 0.516 . . . . 0.0 109.783 174.884 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.95 -25.06 60.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.416 -177.813 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -72.91 -11.52 60.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.036 176.033 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -85.21 -15.62 43.01 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.225 -0.658 . . . . 0.0 109.225 176.775 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 66.6 mttm 59.75 -139.99 0.65 Allowed 'General case' 0 C--O 1.234 0.276 0 CA-C-N 114.806 -1.088 . . . . 0.0 111.455 174.253 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -88.81 6.33 39.45 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.764 179.938 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -75.39 99.21 4.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.044 0.45 . . . . 0.0 110.025 178.253 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -65.53 -44.87 85.55 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.915 -176.705 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -61.62 -42.31 98.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.839 0.352 . . . . 0.0 110.18 -178.631 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 396' ' ' ALA . . . . . 0.476 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -66.26 -40.03 89.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.76 179.043 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 38.9 t -62.45 -48.12 81.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.16 0.505 . . . . 0.0 110.282 177.745 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -63.94 -20.07 65.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.349 -179.429 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -71.9 -62.34 1.46 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.98 0.419 . . . . 0.0 110.229 174.486 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 1.9 pp -81.48 11.62 4.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.601 -176.551 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . 0.487 ' HG3' ' O ' ' A' ' 405' ' ' CYS . 65.8 tttt -54.62 -20.62 8.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.462 176.603 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -46.86 -40.62 14.29 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.354 173.039 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 403' ' ' LYS . . . . . 0.406 ' HB3' ' HE3' ' A' ' 383' ' ' LYS . 54.2 mttm -75.6 -16.09 60.27 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.827 -175.452 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 109.77 40.17 1.48 Allowed Glycine 0 N--CA 1.445 -0.745 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.837 -177.214 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 405' ' ' CYS . . . . . 0.561 ' HB3' ' SG ' ' A' ' 414' ' ' CYS . 72.1 m -111.54 104.77 13.2 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 -177.112 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 60.3 t -104.55 119.95 54.22 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.697 -178.678 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 407' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -69.05 121.09 15.97 Favored 'General case' 0 N--CA 1.436 -1.134 0 C-N-CA 120.245 -0.582 . . . . 0.0 109.617 175.94 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -100.69 124.7 46.67 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 178.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 1.6 p -80.88 -29.76 35.63 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.25 0.548 . . . . 0.0 110.995 -179.719 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -71.67 -48.66 46.09 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.757 179.042 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 12.6 t -73.75 -28.84 61.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.525 0.679 . . . . 0.0 109.213 173.59 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 5.7 t30 68.43 50.83 0.69 Allowed 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 114.414 -1.266 . . . . 0.0 111.004 174.113 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 413' ' ' LYS . . . . . 0.425 ' HZ1' ' CD ' ' A' ' 415' ' ' GLU . 19.5 pttp -173.12 164.76 4.88 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.968 175.107 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 414' ' ' CYS . . . . . 0.561 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 42.0 t -81.38 111.78 18.06 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.966 0.412 . . . . 0.0 110.063 179.618 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 415' ' ' GLU . . . . . 0.425 ' CD ' ' HZ1' ' A' ' 413' ' ' LYS . 12.5 mm-40 -115.04 169.93 8.73 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.727 -177.692 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.768 HD23 ' HG2' ' A' ' 418' ' ' LYS . 0.9 OUTLIER -73.31 140.04 46.49 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 171.168 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 417' ' ' LYS . . . . . 0.535 ' O ' ' HD3' ' A' ' 417' ' ' LYS . 14.2 tmtt? -55.73 -8.98 0.46 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.189 0.596 . . . . 0.0 112.121 -175.674 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . 0.768 ' HG2' HD23 ' A' ' 416' ' ' LEU . 9.2 mmpt? -59.76 -18.36 42.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.714 174.731 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -79.53 -45.88 18.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.315 -0.402 . . . . 0.0 109.94 -178.275 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 87.5 t -59.56 -42.58 88.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.772 173.633 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -60.98 -44.63 97.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.812 177.509 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -67.17 -42.6 84.01 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.725 -178.027 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -62.49 -41.18 98.63 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.068 0.461 . . . . 0.0 110.391 177.764 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 58.6 tp -67.57 -27.38 66.88 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.451 178.101 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -76.18 -43.45 42.47 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.57 178.873 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -77.08 -20.89 55.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.961 0.41 . . . . 0.0 110.948 -178.791 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -140.19 77.41 1.61 Allowed 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 179.837 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 7.5 m -58.57 94.88 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.962 178.067 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 44.2 mtpt -99.14 41.63 1.14 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.274 0.559 . . . . 0.0 111.832 -175.861 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -119.26 49.26 1.36 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.821 0.82 . . . . 0.0 109.41 173.419 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 431' ' ' THR . . . . . . . . . . . . . 7.0 m -86.94 67.15 9.72 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 114.594 -1.184 . . . . 0.0 109.798 -175.621 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -60.52 171.32 1.13 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 114.673 -1.148 . . . . 0.0 111.34 177.6 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 127.13 -28.33 4.6 Favored Glycine 0 N--CA 1.448 -0.506 0 N-CA-C 110.681 -0.967 . . . . 0.0 110.681 -173.145 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 434' ' ' LYS . . . . . 0.514 ' HG3' ' HG2' ' A' ' 436' ' ' GLU . 21.0 ptmt -103.22 171.49 7.34 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 174.433 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -103.45 85.41 2.46 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 120.976 0.417 . . . . 0.0 110.497 -177.933 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 436' ' ' GLU . . . . . 0.514 ' HG2' ' HG3' ' A' ' 434' ' ' LYS . 5.7 mm-40 -81.99 -75.73 0.28 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.892 -178.965 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -106.96 -38.99 5.89 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.749 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -73.81 150.48 41.02 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.928 175.92 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 63.32 64.99 0.79 Allowed 'General case' 0 C--N 1.327 -0.37 0 O-C-N 123.809 0.693 . . . . 0.0 110.757 -174.079 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 9.9 t -85.14 6.01 27.5 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.804 0.811 . . . . 0.0 108.939 174.559 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 5.9 p -84.39 1.54 44.77 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 114.799 -1.091 . . . . 0.0 110.978 178.377 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . -176.48 178.93 47.75 Favored Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 178.328 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 70.1 m . . . . . 0 C--O 1.249 1.07 0 CA-C-O 117.795 -1.098 . . . . 0.0 111.861 179.445 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.83 0 N-CA-C 111.838 -0.505 . . . . 0.0 111.838 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 51.0 m -89.34 115.07 26.53 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.779 0.29 . . . . 0.0 111.255 -177.669 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 51.1 tttp 74.17 -51.07 0.69 Allowed 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.544 0.737 . . . . 0.0 111.31 176.491 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 374' ' ' LYS . . . . . . . . . . . . . 47.8 mttp -98.71 92.48 5.6 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.804 0.335 . . . . 0.0 110.55 -179.478 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 375' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -113.22 -59.28 2.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.133 175.695 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -61.93 117.44 5.93 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.272 179.963 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 377' ' ' THR . . . . . . . . . . . . . 14.9 t -101.13 -4.7 26.8 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.89 177.888 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 378' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -49.35 -48.18 46.84 Favored 'General case' 0 N--CA 1.461 0.094 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.711 -179.34 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 12.5 m -48.3 -60.01 2.99 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 123.715 0.634 . . . . 0.0 111.781 -174.305 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -69.96 -36.44 75.23 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.935 0.398 . . . . 0.0 110.819 -178.591 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -65.68 -55.83 15.34 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.315 -174.71 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 382' ' ' ASN . . . . . 0.499 ' O ' HG13 ' A' ' 386' ' ' ILE . 1.5 p30 -73.64 -40.41 63.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.253 -173.222 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -59.41 -50.81 72.52 Favored 'General case' 0 CA--C 1.52 -0.211 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.318 -179.791 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -60.1 -44.24 94.97 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.307 177.693 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 8.2 tmtm? -59.44 -34.99 73.19 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.725 0.297 . . . . 0.0 111.363 -178.26 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 386' ' ' ILE . . . . . 0.499 HG13 ' O ' ' A' ' 382' ' ' ASN . 88.1 mt -65.77 -41.97 91.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.26 0.552 . . . . 0.0 109.545 178.29 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 14.3 m -70.74 -43.57 68.59 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.311 -0.858 . . . . 0.0 110.547 178.211 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -64.45 -26.66 68.54 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.861 -0.608 . . . . 0.0 111.103 -176.613 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -67.18 -23.9 65.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.733 178.738 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -79.38 -32.97 43.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.033 0.444 . . . . 0.0 110.27 -177.918 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm 57.45 -109.77 0.5 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.817 176.444 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -86.73 -18.36 31.34 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.291 -176.784 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -77.31 98.64 5.26 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.596 0.712 . . . . 0.0 111.782 -172.741 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -58.92 -36.69 75.14 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 114.5 -1.227 . . . . 0.0 110.573 177.011 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -66.04 -45.69 80.54 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.153 -178.683 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 396' ' ' ALA . . . . . 0.544 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -62.49 -39.17 92.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.265 178.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 49.1 t -62.56 -48.34 79.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.357 178.948 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 398' ' ' GLU . . . . . 0.581 ' HA ' ' HB2' ' A' ' 401' ' ' LYS . 7.2 mm-40 -65.99 -21.25 66.39 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.69 -179.186 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -70.84 -53.35 15.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.083 0.468 . . . . 0.0 110.539 175.505 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 1.3 pp -90.86 12.2 20.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.348 0.594 . . . . 0.0 110.81 -179.014 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . 0.581 ' HB2' ' HA ' ' A' ' 398' ' ' GLU . 3.3 tttp -53.19 -37.33 61.85 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.935 -1.03 . . . . 0.0 111.117 178.454 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -57.75 -28.77 64.23 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.51 -178.333 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 57.4 mttm -80.66 -2.18 45.55 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.009 -173.833 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 404' ' ' GLY . . . . . 0.989 ' HA2' ' HE2' ' A' ' 417' ' ' LYS . . . 114.75 29.22 2.7 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.987 176.795 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 405' ' ' CYS . . . . . 0.519 ' O ' ' HG2' ' A' ' 401' ' ' LYS . 95.1 m -113.56 148.49 36.02 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.718 0.294 . . . . 0.0 111.165 -176.934 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 406' ' ' VAL . . . . . 0.494 ' HB ' ' HA ' ' A' ' 417' ' ' LYS . 42.1 t -145.48 130.46 12.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.293 174.634 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 407' ' ' PHE . . . . . 0.521 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 28.2 t80 -77.11 124.09 27.32 Favored 'General case' 0 N--CA 1.441 -0.889 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 179.429 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -104.86 106.34 16.79 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 -178.651 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 7.2 p -70.55 -12.72 61.75 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.368 -177.933 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -67.18 -56.39 10.11 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.104 178.819 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 8.6 p -90.96 -10.89 40.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.893 179.648 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 6.0 t30 63.21 70.2 0.55 Allowed 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.41 -0.813 . . . . 0.0 110.502 -178.648 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 5.3 ptmm? -178.1 152.28 0.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.698 177.159 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 414' ' ' CYS . . . . . 0.521 ' HA ' ' HA ' ' A' ' 407' ' ' PHE . 49.9 t -82.59 118.81 23.57 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.084 177.012 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -121.92 176.42 5.79 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.733 -177.836 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.72 135.42 57.76 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 174.695 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 417' ' ' LYS . . . . . 0.989 ' HE2' ' HA2' ' A' ' 404' ' ' GLY . 0.1 OUTLIER -44.33 112.15 0.38 Allowed 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.577 0.703 . . . . 0.0 112.665 -173.522 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -51.9 -61.42 2.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.046 -1.434 . . . . 0.0 112.937 -174.974 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -61.07 -57.37 12.82 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.295 -0.866 . . . . 0.0 112.799 -170.902 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 420' ' ' VAL . . . . . 0.52 ' HB ' ' HD3' ' A' ' 417' ' ' LYS . 57.1 t -63.89 -47.04 92.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.642 -174.096 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . 0.45 ' HD3' ' HG2' ' A' ' 425' ' ' GLU . 16.2 tppt? -64.9 -34.05 77.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.613 0.244 . . . . 0.0 110.865 -178.501 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -57.54 -55.79 30.3 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.281 0.563 . . . . 0.0 110.464 176.846 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -84.76 0.79 49.4 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.484 -174.333 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 41.4 tp -89.01 -41.85 12.11 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 176.074 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 425' ' ' GLU . . . . . 0.45 ' HG2' ' HD3' ' A' ' 421' ' ' LYS . 21.7 mm-40 -79.82 -49.83 11.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.112 178.378 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -95.31 38.98 1.12 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.009 -177.46 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -68.89 -41.33 78.44 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 174.638 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 20.4 m 57.36 40.3 27.66 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 115.294 -0.866 . . . . 0.0 112.273 171.872 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -94.77 -35.2 12.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.794 0.33 . . . . 0.0 111.147 -179.204 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -83.9 8.81 13.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.002 0.429 . . . . 0.0 111.171 -174.368 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 431' ' ' THR . . . . . . . . . . . . . 11.1 t -106.96 -5.83 17.93 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.621 178.45 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -132.54 0.6 3.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.943 0.878 . . . . 0.0 109.82 175.879 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -99.22 59.03 0.84 Allowed Glycine 0 N--CA 1.446 -0.668 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.066 176.346 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -107.39 105.11 14.89 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.97 0.414 . . . . 0.0 110.334 -176.78 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 435' ' ' ASP . . . . . 0.456 ' HB2' ' HB3' ' A' ' 439' ' ' ASN . 5.2 p-10 -105.58 -11.57 16.3 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.997 178.231 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 436' ' ' GLU . . . . . 0.472 ' O ' ' HB3' ' A' ' 437' ' ' LYS . 5.2 mm-40 71.14 -64.7 0.37 Allowed 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.839 -178.123 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 437' ' ' LYS . . . . . 0.472 ' HB3' ' O ' ' A' ' 436' ' ' GLU . 19.5 pttp 173.64 -19.1 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.704 0.628 . . . . 0.0 110.981 176.077 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -122.86 2.55 9.42 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.605 0.595 . . . . 0.0 112.605 -175.148 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 439' ' ' ASN . . . . . 0.456 ' HB3' ' HB2' ' A' ' 435' ' ' ASP . 61.9 t30 -72.31 104.92 3.87 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.586 -0.446 . . . . 0.0 109.798 -179.838 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 18.9 m -76.27 -69.65 0.49 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.768 -176.858 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 12.1 p -121.24 101.61 7.76 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.127 0.489 . . . . 0.0 110.31 178.788 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . -130.36 178.33 17.66 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.509 -0.853 . . . . 0.0 112.848 -176.251 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 42.8 t . . . . . 0 C--O 1.246 0.871 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 -177.925 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.697 0 N-CA-C 111.833 -0.507 . . . . 0.0 111.833 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 13.6 t -111.84 -169.18 1.42 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.672 0.272 . . . . 0.0 110.325 -179.831 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -76.42 118.75 19.42 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.338 -179.012 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 374' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -104.38 118.31 36.3 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.527 179.521 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 375' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -94.64 135.41 36.15 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.375 178.432 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -72.05 117.71 14.01 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.373 178.406 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 377' ' ' THR . . . . . . . . . . . . . 17.6 p -121.85 153.2 38.68 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -172.654 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 378' ' ' GLU . . . . . 0.592 ' O ' ' HB3' ' A' ' 382' ' ' ASN . 8.3 tp10 -44.85 -64.67 0.65 Allowed 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 123.759 0.824 . . . . 0.0 112.402 -179.259 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 379' ' ' SER . . . . . 0.588 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 5.2 p -60.05 -62.22 2.03 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -172.321 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -60.85 -44.25 97.23 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -174.262 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -80.23 -48.53 12.94 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.502 -0.479 . . . . 0.0 111.133 -171.196 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 382' ' ' ASN . . . . . 0.592 ' HB3' ' O ' ' A' ' 378' ' ' GLU . 0.0 OUTLIER -66.45 -31.22 71.83 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -177.388 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 383' ' ' LYS . . . . . 0.588 ' HB2' ' O ' ' A' ' 379' ' ' SER . 11.6 mptt -66.74 -43.08 85.09 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 176.586 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 384' ' ' GLU . . . . . 0.845 ' HG2' ' HB2' ' A' ' 416' ' ' LEU . 48.9 mt-10 -66.08 -39.18 89.82 Favored 'General case' 0 C--O 1.217 -0.633 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.308 175.146 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 50.8 tptt -59.78 -48.43 81.72 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 123.065 0.228 . . . . 0.0 111.462 -178.471 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 386' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 382' ' ' ASN . 80.8 mt -58.46 -45.57 89.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 121.204 0.526 . . . . 0.0 110.281 178.529 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 387' ' ' CYS . . . . . 0.463 ' SG ' ' HB2' ' A' ' 414' ' ' CYS . 18.7 t -65.76 -47.5 75.0 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.537 179.062 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -67.14 -21.66 65.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.558 -177.55 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -64.44 -19.02 65.28 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -179.47 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 390' ' ' ALA . . . . . 0.721 ' HB3' ' SG ' ' A' ' 414' ' ' CYS . . . -84.7 -18.06 36.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.415 0.626 . . . . 0.0 109.596 178.549 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 391' ' ' LYS . . . . . 0.554 ' O ' ' HA ' ' A' ' 413' ' ' LYS . 93.4 mttt 58.63 -114.75 0.77 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 114.732 -1.122 . . . . 0.0 112.323 173.722 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -98.5 0.69 45.61 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 -172.505 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -89.83 93.37 9.41 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 178.795 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 394' ' ' GLN . . . . . 0.536 ' O ' ' HG2' ' A' ' 398' ' ' GLU . 60.5 tt0 -55.63 -39.12 70.41 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.98 -175.681 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -57.38 -40.58 78.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.736 0.303 . . . . 0.0 110.909 -179.209 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 396' ' ' ALA . . . . . 0.55 ' HB1' ' HB2' ' A' ' 390' ' ' ALA . . . -66.66 -38.68 87.34 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.419 -179.218 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . 0.627 ' SG ' ' HD2' ' A' ' 407' ' ' PHE . 2.3 m -63.5 -50.74 68.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.715 0.769 . . . . 0.0 109.704 177.901 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 398' ' ' GLU . . . . . 0.577 ' HA ' ' HD3' ' A' ' 401' ' ' LYS . 14.5 mm-40 -67.54 -17.66 64.74 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.037 -178.244 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -68.91 -51.74 36.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.134 0.492 . . . . 0.0 110.261 173.792 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . 0.455 ' HB2' ' HD2' ' A' ' 403' ' ' LYS . 1.5 pp -94.11 18.61 10.48 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.337 178.847 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . 0.577 ' HD3' ' HA ' ' A' ' 398' ' ' GLU . 23.7 tptp -39.42 -52.24 2.09 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 114.395 -1.275 . . . . 0.0 113.184 176.708 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -72.0 -1.91 16.31 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 121.042 0.449 . . . . 0.0 112.151 -170.772 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 403' ' ' LYS . . . . . 0.455 ' HD2' ' HB2' ' A' ' 400' ' ' LEU . 96.7 mttt -85.59 3.71 39.46 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.078 0.466 . . . . 0.0 109.952 175.882 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 101.66 32.25 5.18 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.557 -179.694 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 42.9 t -119.51 154.93 33.07 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.785 0.326 . . . . 0.0 110.791 -173.864 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 406' ' ' VAL . . . . . 0.522 ' HB ' ' HZ3' ' A' ' 401' ' ' LYS . 3.5 p -163.31 127.54 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 175.905 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 407' ' ' PHE . . . . . 0.865 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 50.7 t80 -60.62 124.14 19.5 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 121.431 0.634 . . . . 0.0 110.748 -179.471 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 408' ' ' ASN . . . . . 0.582 ' HB2' ' HB2' ' A' ' 415' ' ' GLU . 34.7 t30 -102.73 95.87 6.48 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.153 -0.931 . . . . 0.0 109.407 -178.464 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 2.8 p -61.7 -25.45 67.42 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.536 -176.561 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -72.06 -20.58 61.65 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.85 -177.876 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 22.9 t -114.5 -7.17 12.84 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.925 176.753 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 67.2 t30 64.97 28.58 12.54 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.505 -179.85 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 413' ' ' LYS . . . . . 0.554 ' HA ' ' O ' ' A' ' 391' ' ' LYS . 23.3 pttp -153.09 153.58 33.13 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.7 176.272 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 414' ' ' CYS . . . . . 0.865 ' HA ' ' HA ' ' A' ' 407' ' ' PHE . 0.0 OUTLIER -65.33 134.46 53.6 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 178.469 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 415' ' ' GLU . . . . . 0.582 ' HB2' ' HB2' ' A' ' 408' ' ' ASN . 2.3 tp10 -119.84 152.43 37.33 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.294 -177.081 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.845 ' HB2' ' HG2' ' A' ' 384' ' ' GLU . 2.3 tt -59.78 125.88 25.39 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 174.136 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 57.3 tttp -55.24 110.77 0.73 Allowed 'General case' 0 N--CA 1.446 -0.625 0 CA-C-O 120.933 0.397 . . . . 0.0 109.998 179.748 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -62.06 -20.81 64.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.669 -173.075 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -63.48 -38.63 91.88 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.579 174.364 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 50.2 t -80.15 -35.81 16.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.935 -176.556 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -62.37 -49.94 73.56 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-O 121.755 0.788 . . . . 0.0 109.719 178.582 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -62.14 -45.81 91.8 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.511 -1.222 . . . . 0.0 110.398 176.815 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 423' ' ' LYS . . . . . 0.401 ' O ' ' HG2' ' A' ' 427' ' ' GLU . 29.1 ttpp -61.21 -35.71 77.93 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.888 178.902 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 65.2 tp -58.59 -49.68 76.57 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.896 -179.027 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -75.98 -10.63 59.58 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 120.253 -0.579 . . . . 0.0 111.116 -179.424 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -86.82 -58.52 2.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.94 0.4 . . . . 0.0 111.015 175.338 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' A' ' 423' ' ' LYS . 16.1 pt-20 -67.68 -27.95 67.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.881 -0.599 . . . . 0.0 112.452 -170.383 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 6.1 p -64.43 -17.93 64.26 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -176.26 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -82.66 -28.39 30.69 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.987 0.422 . . . . 0.0 110.925 -179.627 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -94.47 81.78 3.97 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.304 0.573 . . . . 0.0 110.811 -176.515 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 431' ' ' THR . . . . . . . . . . . . . 8.9 t -119.17 -28.77 5.38 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.023 174.647 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -88.93 157.15 18.5 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 176.596 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 119.3 28.02 2.07 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 121.016 -0.611 . . . . 0.0 111.879 -177.763 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -139.08 118.72 13.04 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.82 0.343 . . . . 0.0 110.731 -178.076 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -76.68 112.86 13.69 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 172.161 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.51 -30.37 12.2 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -172.123 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -85.98 -73.72 0.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.841 0.353 . . . . 0.0 110.148 176.348 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . 173.16 51.45 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 106.875 -1.528 . . . . 0.0 106.875 -177.0 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 39.7 m-20 -88.07 145.58 25.89 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.593 -1.185 . . . . 0.0 112.103 -163.641 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -133.65 4.88 3.65 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.66 -1.155 . . . . 0.0 109.113 171.634 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 2.6 p -109.68 3.49 21.02 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.936 -1.029 . . . . 0.0 111.825 -175.322 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . 109.23 -136.84 13.83 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.509 -0.853 . . . . 0.0 112.27 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 26.7 t . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.525 -0.75 . . . . 0.0 109.23 -178.517 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.95 0 N-CA-C 112.403 -0.279 . . . . 0.0 112.403 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 66.7 m 58.85 86.41 0.09 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.303 0.573 . . . . 0.0 111.387 -179.886 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -75.0 147.96 40.31 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.002 -178.151 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 374' ' ' LYS . . . . . 0.464 ' O ' ' HB2' ' A' ' 375' ' ' GLN . 68.3 mttm 63.03 -85.28 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.329 0 O-C-N 123.808 0.692 . . . . 0.0 109.765 -170.01 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 375' ' ' GLN . . . . . 0.669 ' HG2' HG21 ' A' ' 377' ' ' THR . 32.7 tt0 170.62 -68.45 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 178.324 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 53.78 33.83 17.79 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 114.918 -1.037 . . . . 0.0 112.336 170.669 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 377' ' ' THR . . . . . 0.669 HG21 ' HG2' ' A' ' 375' ' ' GLN . 9.9 t -117.86 159.65 22.74 Favored 'General case' 0 C--O 1.241 0.653 0 CA-C-O 120.872 0.368 . . . . 0.0 110.828 -177.658 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 378' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 63.85 168.54 0.16 Allowed 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.679 179.736 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 379' ' ' SER . . . . . 0.793 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 87.8 p -61.71 -27.52 68.76 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-N 116.822 -0.172 . . . . 0.0 111.423 -172.621 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -63.6 -57.2 10.86 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.609 0.242 . . . . 0.0 111.349 179.914 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -80.12 -37.78 32.89 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.233 -0.587 . . . . 0.0 111.103 -170.629 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 382' ' ' ASN . . . . . 0.62 ' ND2' ' HA ' ' A' ' 379' ' ' SER . 1.1 p30 -75.37 -26.31 58.4 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.311 -0.556 . . . . 0.0 110.849 -176.467 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 383' ' ' LYS . . . . . 0.793 ' HB2' ' O ' ' A' ' 379' ' ' SER . 0.1 OUTLIER -67.89 -53.03 29.71 Favored 'General case' 0 CA--C 1.51 -0.587 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 174.959 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -53.26 -43.07 67.12 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.115 -0.948 . . . . 0.0 111.127 -179.831 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -61.23 -48.39 81.72 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.025 179.301 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 386' ' ' ILE . . . . . . . . . . . . . 75.5 mt -64.9 -40.59 89.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.31 -178.437 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 387' ' ' CYS . . . . . 0.47 ' O ' ' HB3' ' A' ' 414' ' ' CYS . 65.0 m -59.55 -45.44 91.82 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.001 175.42 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -74.17 -18.23 60.81 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.076 -177.712 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -73.31 -14.83 61.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.164 0.507 . . . . 0.0 110.373 174.712 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 390' ' ' ALA . . . . . 0.546 ' HB1' HD22 ' A' ' 400' ' ' LEU . . . -87.1 -27.38 23.15 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 175.215 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp 61.89 -150.9 0.38 Allowed 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.612 178.029 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 392' ' ' ASP . . . . . 0.566 ' HA ' ' HA ' ' A' ' 413' ' ' LYS . 4.3 p30 -79.32 4.69 14.46 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.845 0.355 . . . . 0.0 111.176 -178.595 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -72.71 107.85 5.39 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 175.481 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.72 -39.03 80.63 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.272 -176.294 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -60.61 -43.46 97.43 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.712 -0.222 . . . . 0.0 110.494 178.517 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 396' ' ' ALA . . . . . 0.519 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -61.42 -38.4 86.97 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.94 0.4 . . . . 0.0 110.381 177.892 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . 0.424 ' HA ' HD11 ' A' ' 400' ' ' LEU . 15.3 t -66.38 -43.61 85.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.016 177.736 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -52.88 -42.0 64.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.247 174.759 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -59.52 -47.15 86.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 -179.113 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . 0.546 HD22 ' HB1' ' A' ' 390' ' ' ALA . 1.4 pp -103.44 19.75 19.14 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.767 -175.64 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . 0.653 ' HD3' ' O ' ' A' ' 405' ' ' CYS . 4.4 tppp? -57.23 -37.99 73.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.96 177.049 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -78.08 4.62 11.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.445 -178.464 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 54.5 mttp -102.14 8.68 40.63 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.995 0.426 . . . . 0.0 110.635 177.487 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 98.21 5.82 57.01 Favored Glycine 0 N--CA 1.451 -0.363 0 CA-C-N 115.767 -0.651 . . . . 0.0 113.025 175.586 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 405' ' ' CYS . . . . . 0.663 ' HB3' ' SG ' ' A' ' 414' ' ' CYS . 91.7 m -91.05 137.34 32.44 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.832 0.349 . . . . 0.0 110.981 -179.208 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 406' ' ' VAL . . . . . 0.468 ' CG2' ' HB2' ' A' ' 417' ' ' LYS . 97.4 t -129.46 135.02 62.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.534 179.865 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 407' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -70.74 130.6 42.17 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.111 0.482 . . . . 0.0 110.764 -178.764 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 52.6 t-20 -103.14 123.56 46.92 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.116 178.575 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 11.9 p -81.43 -36.86 28.95 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.858 -177.51 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -71.99 -45.03 62.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.698 -178.405 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 16.2 m -81.03 -24.6 37.78 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.267 177.457 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 54.9 t30 64.52 71.86 0.46 Allowed 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.714 0.769 . . . . 0.0 110.058 177.469 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 413' ' ' LYS . . . . . 0.566 ' HA ' ' HA ' ' A' ' 392' ' ' ASP . 17.2 ptpt 177.63 158.76 0.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.671 -1.15 . . . . 0.0 108.864 -176.74 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 414' ' ' CYS . . . . . 0.663 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 11.4 t -77.04 125.71 29.78 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 172.27 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -136.61 153.6 50.9 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.819 0.342 . . . . 0.0 111.059 -172.007 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.533 HD11 ' HB3' ' A' ' 383' ' ' LYS . 67.7 tp -68.39 119.15 12.43 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 174.53 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 417' ' ' LYS . . . . . 0.468 ' HB2' ' CG2' ' A' ' 406' ' ' VAL . 21.0 tptp -62.16 101.0 0.19 Allowed 'General case' 0 C--O 1.236 0.382 0 O-C-N 123.387 0.429 . . . . 0.0 110.367 -176.366 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . 0.503 ' HD2' ' C ' ' A' ' 418' ' ' LYS . 1.2 tmmt? -56.18 -47.65 77.89 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.794 -175.09 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -56.9 -34.87 68.35 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.691 -173.058 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 46.4 t -79.16 -42.44 23.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.552 -178.644 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . 0.424 ' HB2' ' HE2' ' A' ' 421' ' ' LYS . 7.2 tppt? -71.48 -40.25 70.36 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.126 0.489 . . . . 0.0 110.403 -178.207 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -58.68 -50.31 74.34 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.787 178.228 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 423' ' ' LYS . . . . . 0.401 ' HZ1' ' CD ' ' A' ' 432' ' ' GLU . 98.5 mttt -82.6 -0.4 46.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.858 0.361 . . . . 0.0 111.664 -178.388 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 53.6 tp -87.14 -47.96 8.45 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 169.374 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -70.92 -45.94 63.37 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.108 -179.63 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 25.6 ttmt -94.3 141.46 28.54 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.67 -174.626 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . 0.467 ' C ' ' H ' ' A' ' 429' ' ' LYS . 12.1 pt-20 -81.56 8.26 10.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.879 -176.561 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 21.4 m -76.23 24.62 0.13 Allowed 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 121.155 0.503 . . . . 0.0 111.213 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 429' ' ' LYS . . . . . 0.467 ' H ' ' C ' ' A' ' 427' ' ' GLU . 14.7 ptmt -93.03 -15.21 26.41 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.804 179.612 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -86.49 93.24 9.1 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.922 179.659 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 431' ' ' THR . . . . . . . . . . . . . 5.8 m 52.74 81.19 0.09 Allowed 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.952 -177.431 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 432' ' ' GLU . . . . . 0.401 ' CD ' ' HZ1' ' A' ' 423' ' ' LYS . 15.7 pt-20 -62.1 103.87 0.42 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.688 0.756 . . . . 0.0 112.021 -172.08 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -97.81 70.28 0.7 Allowed Glycine 0 N--CA 1.444 -0.778 0 N-CA-C 110.323 -1.111 . . . . 0.0 110.323 174.374 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 434' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' A' ' 435' ' ' ASP . 18.8 pttp -127.55 166.46 17.97 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.818 0.342 . . . . 0.0 110.758 -173.258 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 435' ' ' ASP . . . . . 0.418 ' O ' ' HG3' ' A' ' 434' ' ' LYS . 3.5 p30 -82.89 178.39 8.19 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 168.075 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -85.84 -78.42 0.27 Allowed 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 119.706 -0.798 . . . . 0.0 109.84 178.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 31.0 mtpp -124.9 4.42 8.05 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 170.398 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -179.16 148.42 0.37 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 113.904 -1.498 . . . . 0.0 108.079 -178.547 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -102.36 -31.64 10.4 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.303 0.573 . . . . 0.0 109.769 177.944 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 16.9 p -64.93 -53.12 51.45 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.745 175.839 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 41.1 p 50.0 90.08 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.338 -0.846 . . . . 0.0 112.056 -179.999 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . 122.2 -52.66 0.75 Allowed Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.898 -0.668 . . . . 0.0 111.829 178.929 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 22.8 t . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.357 -0.83 . . . . 0.0 109.348 178.819 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.691 0 N-CA-C 111.775 -0.53 . . . . 0.0 111.775 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 21.3 t -164.96 -172.27 2.52 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 -179.727 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -72.38 -14.1 61.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.288 0.566 . . . . 0.0 110.186 179.448 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 374' ' ' LYS . . . . . 0.492 ' O ' ' HB2' ' A' ' 375' ' ' GLN . 63.3 tttp -118.54 119.43 34.5 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.286 -0.87 . . . . 0.0 108.983 176.815 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 375' ' ' GLN . . . . . 0.492 ' HB2' ' O ' ' A' ' 374' ' ' LYS . 72.6 mm-40 73.24 150.2 0.1 Allowed 'General case' 0 N--CA 1.469 0.481 0 O-C-N 123.784 0.677 . . . . 0.0 111.194 -176.493 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 73.12 -15.54 0.52 Allowed 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.825 0.85 . . . . 0.0 110.98 -179.125 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 377' ' ' THR . . . . . 0.492 ' H ' ' C ' ' A' ' 375' ' ' GLN . 0.8 OUTLIER -98.91 -3.08 36.02 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.727 176.329 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 378' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.79 -24.97 67.97 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.601 -177.419 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 379' ' ' SER . . . . . 0.432 ' HA ' ' ND2' ' A' ' 382' ' ' ASN . 19.8 m -59.9 -42.36 93.66 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.282 176.373 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 380' ' ' ALA . . . . . 0.478 ' HB3' ' HD3' ' A' ' 418' ' ' LYS . . . -75.69 -35.07 60.42 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.292 177.391 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -66.51 -46.25 76.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.778 -178.842 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 382' ' ' ASN . . . . . 0.523 ' O ' HG13 ' A' ' 386' ' ' ILE . 4.0 p30 -72.9 -34.52 66.69 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.607 -177.426 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 383' ' ' LYS . . . . . 0.459 ' HB3' HD12 ' A' ' 416' ' ' LEU . 1.4 mptm? -63.96 -44.68 92.04 Favored 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 177.367 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -53.28 -43.31 67.39 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.732 -1.122 . . . . 0.0 110.138 175.62 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -68.19 -35.61 78.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.299 -179.811 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 386' ' ' ILE . . . . . 0.523 HG13 ' O ' ' A' ' 382' ' ' ASN . 82.4 mt -64.32 -43.44 97.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.381 0.61 . . . . 0.0 109.565 179.419 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 22.0 m -63.21 -39.47 94.71 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.231 176.88 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 388' ' ' ASN . . . . . 0.41 ' O ' ' HG3' ' A' ' 391' ' ' LYS . 0.9 OUTLIER -70.31 -19.52 63.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.384 179.446 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -72.06 -21.83 61.47 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.757 0.313 . . . . 0.0 111.242 175.06 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -91.66 -41.08 10.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.915 0.388 . . . . 0.0 110.857 -178.932 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 391' ' ' LYS . . . . . 0.41 ' HG3' ' O ' ' A' ' 388' ' ' ASN . 62.6 mttp 57.72 -104.18 0.21 Allowed 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.896 179.034 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -100.76 -3.47 29.99 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.73 0.3 . . . . 0.0 111.168 -174.813 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 45.2 t-20 -78.84 91.47 4.75 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 179.154 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -59.78 -40.54 88.62 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.296 -0.866 . . . . 0.0 111.679 -177.596 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . 0.435 ' O ' ' HB3' ' A' ' 399' ' ' ASN . 0.1 OUTLIER -61.15 -48.27 82.37 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -179.3 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 396' ' ' ALA . . . . . 0.715 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -59.53 -42.94 93.43 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.103 177.09 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 41.9 t -57.8 -56.34 23.28 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.962 179.214 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 398' ' ' GLU . . . . . 0.534 ' HA ' ' HB2' ' A' ' 401' ' ' LYS . 41.0 mt-10 -61.92 -32.9 73.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.11 0.481 . . . . 0.0 110.966 -179.434 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 399' ' ' ASN . . . . . 0.435 ' HB3' ' O ' ' A' ' 395' ' ' LYS . 0.0 OUTLIER -67.21 -28.49 68.12 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.033 179.91 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . 0.715 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 3.2 pp -115.8 17.38 16.1 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-O 121.12 0.486 . . . . 0.0 111.059 176.774 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . 0.534 ' HB2' ' HA ' ' A' ' 398' ' ' GLU . 13.6 tmtt? -56.22 -29.65 61.28 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.616 178.132 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -50.3 -32.8 17.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.8 177.016 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -75.98 -14.93 60.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.715 -0.22 . . . . 0.0 111.364 -175.946 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 120.93 -0.53 11.85 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.302 179.268 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 405' ' ' CYS . . . . . 0.513 ' O ' ' HG2' ' A' ' 401' ' ' LYS . 73.4 m -81.3 117.62 21.94 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.09 0.471 . . . . 0.0 111.116 -178.763 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 34.8 t -114.46 129.59 70.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.372 178.897 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 407' ' ' PHE . . . . . 0.455 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 29.2 t80 -71.16 125.04 25.86 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-O 121.302 0.573 . . . . 0.0 109.849 179.212 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 408' ' ' ASN . . . . . 0.526 ' O ' ' HA ' ' A' ' 412' ' ' ASN . 13.8 t-20 -98.53 128.03 44.69 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.865 -178.414 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 11.7 p -90.33 -17.73 26.81 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.738 0.304 . . . . 0.0 111.575 -179.043 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -61.79 -57.56 11.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.653 -177.867 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 47.1 m -96.7 -11.62 24.88 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.604 174.288 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 412' ' ' ASN . . . . . 0.526 ' HA ' ' O ' ' A' ' 408' ' ' ASN . 6.8 t30 66.62 75.63 0.32 Allowed 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.488 176.341 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 17.5 ptmt -172.39 156.52 3.79 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.919 -1.037 . . . . 0.0 109.166 -179.251 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 414' ' ' CYS . . . . . 0.491 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 45.2 t -89.0 117.06 27.74 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 178.859 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -131.49 171.34 13.53 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 178.641 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.559 ' HG ' ' H ' ' A' ' 418' ' ' LYS . 47.6 tp -78.9 144.77 34.58 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 -176.836 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 417' ' ' LYS . . . . . 0.534 ' HG3' ' HE3' ' A' ' 421' ' ' LYS . 58.7 tptt -56.45 -23.78 41.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.175 179.064 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . 0.559 ' H ' ' HG ' ' A' ' 416' ' ' LEU . 18.4 ttpp -49.66 -42.08 44.43 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.4 174.299 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 419' ' ' ASP . . . . . 0.413 ' O ' ' HG3' ' A' ' 423' ' ' LYS . 4.2 m-20 -77.76 -36.76 50.31 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 114.91 -1.041 . . . . 0.0 110.992 -171.434 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 21.4 t -62.65 -43.81 98.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.659 176.393 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . 0.534 ' HE3' ' HG3' ' A' ' 417' ' ' LYS . 99.5 mttt -64.97 -45.39 85.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.639 176.974 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -55.68 -48.74 74.55 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.26 -178.516 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 423' ' ' LYS . . . . . 0.413 ' HG3' ' O ' ' A' ' 419' ' ' ASP . 93.9 mttt -66.4 -29.48 69.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.104 0.478 . . . . 0.0 110.753 179.636 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 50.6 tp -72.79 -45.65 57.4 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.343 178.574 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -60.95 -47.27 87.19 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.354 179.586 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -84.75 16.03 3.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.692 -173.811 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -95.31 6.97 47.58 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.575 0.703 . . . . 0.0 109.504 174.082 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 4.1 p -72.07 -36.9 69.68 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.903 178.894 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 37.8 mtmm 64.25 87.14 0.12 Allowed 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 123.11 0.564 . . . . 0.0 111.745 175.344 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 68.45 8.99 7.01 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.015 177.549 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 431' ' ' THR . . . . . . . . . . . . . 20.5 p 46.69 78.65 0.07 Allowed 'General case' 0 C--O 1.234 0.239 0 C-N-CA 123.592 0.757 . . . . 0.0 112.191 -178.104 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -70.09 100.78 1.7 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.396 0.617 . . . . 0.0 109.901 177.816 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . 0.486 ' O ' ' HG3' ' A' ' 436' ' ' GLU . . . 143.59 -61.11 0.51 Allowed Glycine 0 N--CA 1.444 -0.804 0 CA-C-N 115.318 -0.856 . . . . 0.0 111.216 -176.739 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 60.1 mttm 59.41 -93.73 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 122.611 0.365 . . . . 0.0 110.772 -179.832 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -142.78 70.53 1.32 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.859 176.297 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 436' ' ' GLU . . . . . 0.486 ' HG3' ' O ' ' A' ' 433' ' ' GLY . 43.2 mt-10 -73.18 -62.62 1.4 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 175.697 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -132.46 76.6 1.7 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.733 174.947 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . 72.19 -10.6 0.88 Allowed 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.147 -0.933 . . . . 0.0 112.653 179.16 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 54.2 t30 67.36 -75.08 0.06 Allowed 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 123.145 0.578 . . . . 0.0 110.601 -177.669 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.424 ' C ' ' HG1' ' A' ' 441' ' ' THR . 16.1 p -137.08 -64.06 0.58 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.091 177.252 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 441' ' ' THR . . . . . 0.424 ' HG1' ' C ' ' A' ' 440' ' ' THR . 32.8 p 45.71 59.18 3.79 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 123.239 0.616 . . . . 0.0 111.516 -176.84 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . 92.52 154.95 31.51 Favored Glycine 0 N--CA 1.448 -0.518 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.951 -177.729 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 49.1 m . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.424 178.117 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.827 0 N-CA-C 112.05 -0.42 . . . . 0.0 112.05 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 6.0 p -141.36 99.17 3.51 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.744 0.307 . . . . 0.0 111.023 178.927 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 373' ' ' LYS . . . . . 0.834 ' HB2' ' HB3' ' A' ' 376' ' ' GLN . 0.0 OUTLIER -77.92 155.64 30.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.769 179.193 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 374' ' ' LYS . . . . . . . . . . . . . 54.3 tttp -115.2 99.06 7.14 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.011 175.866 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 375' ' ' GLN . . . . . . . . . . . . . 39.2 tp60 69.75 3.44 4.27 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.744 0.818 . . . . 0.0 111.535 179.577 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 376' ' ' GLN . . . . . 0.834 ' HB3' ' HB2' ' A' ' 373' ' ' LYS . 7.3 tt0 -80.4 75.35 7.24 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.5 0.666 . . . . 0.0 109.457 176.027 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 377' ' ' THR . . . . . . . . . . . . . 9.3 t -123.54 -16.47 6.76 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.74 -177.337 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 378' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -65.37 -46.42 80.19 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.056 0.455 . . . . 0.0 110.167 -179.215 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 379' ' ' SER . . . . . 0.63 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 23.2 p -57.97 -49.1 77.94 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.677 178.781 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 380' ' ' ALA . . . . . 0.572 ' O ' ' HB2' ' A' ' 384' ' ' GLU . . . -57.4 -44.68 84.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.151 179.492 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -64.55 -56.23 15.36 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.625 -177.955 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 382' ' ' ASN . . . . . 0.547 ' O ' HG13 ' A' ' 386' ' ' ILE . 2.2 p30 -77.11 -36.38 55.59 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -171.631 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 383' ' ' LYS . . . . . 0.63 ' HB2' ' O ' ' A' ' 379' ' ' SER . 13.8 mptt -69.27 -42.74 75.13 Favored 'General case' 0 CA--C 1.52 -0.2 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.446 -178.91 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 384' ' ' GLU . . . . . 0.572 ' HB2' ' O ' ' A' ' 380' ' ' ALA . 11.0 mm-40 -59.45 -44.23 93.0 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-N 116.235 -0.439 . . . . 0.0 109.969 174.865 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.01 -33.82 69.35 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.801 0.334 . . . . 0.0 111.005 -179.776 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 386' ' ' ILE . . . . . 0.672 HG22 HD11 ' A' ' 400' ' ' LEU . 87.3 mt -65.75 -40.21 87.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.394 0.616 . . . . 0.0 109.596 178.769 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 75.3 m -74.63 -44.88 48.33 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.193 178.176 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -66.92 -29.12 68.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.928 -174.902 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -67.54 -16.11 64.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.889 0.376 . . . . 0.0 111.271 178.578 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -98.41 -25.89 14.65 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.694 178.236 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 97.3 mttt 61.39 -89.2 0.03 OUTLIER 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.438 -178.958 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -121.56 11.2 10.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.85 -175.422 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -80.97 90.54 5.96 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.075 -0.65 . . . . 0.0 110.184 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 394' ' ' GLN . . . . . 0.489 ' O ' ' HG3' ' A' ' 398' ' ' GLU . 48.2 tt0 -52.09 -49.84 62.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.591 -0.731 . . . . 0.0 112.057 -178.264 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 47.6 tttp -59.48 -45.14 92.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.822 -171.742 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 396' ' ' ALA . . . . . 0.436 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -63.92 -34.2 77.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.64 0.733 . . . . 0.0 110.153 -179.665 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 81.6 m -78.6 -28.93 45.78 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.432 -178.692 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 398' ' ' GLU . . . . . 0.58 ' O ' ' HB2' ' A' ' 401' ' ' LYS . 45.3 mt-10 -64.81 -26.92 68.55 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.045 0.45 . . . . 0.0 110.089 171.772 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -74.83 -31.23 61.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.458 0.647 . . . . 0.0 109.519 173.041 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . 0.672 HD11 HG22 ' A' ' 386' ' ' ILE . 29.3 mt -88.71 -0.63 57.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.765 178.872 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . 0.58 ' HB2' ' O ' ' A' ' 398' ' ' GLU . 4.6 tmtp? -55.25 -44.84 75.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.26 -174.803 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -69.45 -15.86 63.36 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.969 -176.292 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -83.73 -6.45 59.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.886 178.385 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 106.61 -2.71 36.55 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.705 -0.76 . . . . 0.0 111.933 -179.017 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 405' ' ' CYS . . . . . 0.54 ' O ' ' HA ' ' A' ' 401' ' ' LYS . 22.9 t -85.07 111.94 20.2 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 179.763 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 61.9 t -111.68 125.68 69.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.362 -176.659 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 407' ' ' PHE . . . . . 0.539 ' HD2' ' SG ' ' A' ' 414' ' ' CYS . 34.0 t80 -71.7 119.25 15.59 Favored 'General case' 0 N--CA 1.436 -1.13 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 170.576 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -107.68 106.14 16.32 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.719 -175.132 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -65.26 -22.83 66.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.694 0.283 . . . . 0.0 111.402 -178.735 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -62.04 -36.15 80.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.397 0.618 . . . . 0.0 110.096 171.874 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 12.4 t -98.77 -12.17 21.16 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.148 -176.546 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 8.9 t30 55.91 35.57 25.71 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.266 -176.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 10.2 ptpp? -160.17 167.49 27.54 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.88 178.074 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 414' ' ' CYS . . . . . 0.539 ' SG ' ' HD2' ' A' ' 407' ' ' PHE . 35.3 m -77.87 122.85 26.01 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.689 173.774 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -134.84 132.42 38.59 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 -174.273 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.425 HD13 ' HB3' ' A' ' 383' ' ' LYS . 64.3 tp -57.16 138.23 54.86 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.105 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -57.02 97.53 0.02 OUTLIER 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.742 0.782 . . . . 0.0 111.65 -175.701 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -53.83 -36.96 63.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.383 -1.281 . . . . 0.0 112.375 -178.626 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -71.8 -30.3 65.38 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.755 -173.954 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 67.3 t -75.33 -41.01 43.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 174.891 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 5.6 tppp? -57.25 -45.65 83.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.205 0.526 . . . . 0.0 110.227 176.703 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -53.69 -54.79 32.95 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.879 178.268 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -70.36 -27.78 64.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.805 -177.234 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 29.3 tp -76.73 -39.61 51.27 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.961 -176.528 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 425' ' ' GLU . . . . . 0.487 ' HB2' ' HB3' ' A' ' 373' ' ' LYS . 14.7 pt-20 -81.98 -11.36 58.89 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.208 178.44 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 426' ' ' LYS . . . . . 0.506 ' HE2' HG21 ' A' ' 431' ' ' THR . 81.1 tttt -61.85 -36.38 81.04 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.189 173.687 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -68.99 -16.45 63.73 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.01 -178.302 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 68.6 m -70.9 -4.63 25.46 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.65 0.262 . . . . 0.0 111.595 179.534 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -106.53 -2.91 21.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.339 174.788 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 53.67 93.82 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.345 0 O-C-N 124.156 0.91 . . . . 0.0 111.75 -175.653 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 431' ' ' THR . . . . . 0.506 HG21 ' HE2' ' A' ' 426' ' ' LYS . 8.5 t -141.05 23.3 2.22 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.318 -0.855 . . . . 0.0 108.812 177.657 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 65.21 -175.51 0.18 Allowed 'General case' 0 C--O 1.235 0.295 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.775 -175.493 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -129.89 111.91 1.24 Allowed Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.029 -179.405 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -124.65 179.47 4.96 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.849 0.357 . . . . 0.0 110.288 178.949 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 435' ' ' ASP . . . . . 0.803 ' HA ' ' HB3' ' A' ' 439' ' ' ASN . 13.1 p-10 -88.82 104.56 17.04 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.403 0.621 . . . . 0.0 110.432 179.106 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -60.48 -60.6 3.55 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.878 0.847 . . . . 0.0 109.097 176.337 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -157.44 105.3 2.06 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.169 -1.378 . . . . 0.0 108.593 176.16 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . 57.6 35.16 25.43 Favored 'General case' 0 C--O 1.234 0.245 0 O-C-N 123.549 0.531 . . . . 0.0 110.861 -179.099 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 439' ' ' ASN . . . . . 0.803 ' HB3' ' HA ' ' A' ' 435' ' ' ASP . 53.9 t30 -80.05 91.12 5.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.552 -177.562 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 8.7 m -87.39 -18.68 29.46 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.376 0.608 . . . . 0.0 110.344 179.2 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 8.3 m -82.15 89.85 6.52 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.799 -179.433 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . -69.41 -63.08 3.55 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.729 -0.748 . . . . 0.0 111.378 176.481 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 68.1 m . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.827 -0.606 . . . . 0.0 109.559 176.024 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.957 0 N-CA-C 112.649 -0.18 . . . . 0.0 112.649 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 36.8 t -67.21 -50.03 62.38 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.969 0.414 . . . . 0.0 110.581 179.153 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -107.57 141.86 38.38 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.529 179.563 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 374' ' ' LYS . . . . . . . . . . . . . 43.1 mmtm -79.61 165.14 23.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.552 177.857 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 375' ' ' GLN . . . . . 0.549 ' NE2' ' H ' ' A' ' 375' ' ' GLN . 0.9 OUTLIER -98.46 144.6 27.63 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.101 0.477 . . . . 0.0 110.886 179.803 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -141.44 150.08 41.83 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.52 -0.764 . . . . 0.0 108.954 177.82 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 377' ' ' THR . . . . . . . . . . . . . 72.4 p 58.44 111.37 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.263 1.025 . . . . 0.0 112.352 -178.06 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 378' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -53.41 -46.78 69.87 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 114.88 -1.055 . . . . 0.0 111.437 -177.395 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 379' ' ' SER . . . . . 0.52 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 16.8 m -64.72 -39.22 93.28 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.892 -173.179 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 380' ' ' ALA . . . . . 0.433 ' HB3' ' HE3' ' A' ' 421' ' ' LYS . . . -69.26 -42.04 76.12 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.875 0.369 . . . . 0.0 110.433 178.332 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -58.88 -64.0 1.09 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.65 -179.123 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 382' ' ' ASN . . . . . 0.572 ' O ' HG13 ' A' ' 386' ' ' ILE . 2.9 p30 -70.05 -35.02 73.95 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -170.384 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 383' ' ' LYS . . . . . 0.52 ' HB2' ' O ' ' A' ' 379' ' ' SER . 14.0 mptt -69.32 -40.38 77.64 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.072 0.463 . . . . 0.0 110.505 -177.162 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 384' ' ' GLU . . . . . 0.495 ' HA ' ' HB2' ' A' ' 416' ' ' LEU . 17.7 tt0 -69.78 -31.26 69.1 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.643 -179.404 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -72.32 -27.54 62.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.694 176.493 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 386' ' ' ILE . . . . . 0.572 HG13 ' O ' ' A' ' 382' ' ' ASN . 68.7 mt -67.86 -45.96 83.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 177.718 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 24.6 m -67.68 -32.55 73.28 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.531 176.943 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.47 -23.74 62.75 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.137 178.01 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -66.85 -19.33 65.72 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.888 0.375 . . . . 0.0 110.889 176.087 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -81.29 -25.92 36.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.122 0.487 . . . . 0.0 109.827 178.598 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 95.1 mttt 59.91 -138.2 0.68 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.964 175.822 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 392' ' ' ASP . . . . . 0.42 ' HA ' ' HA ' ' A' ' 413' ' ' LYS . 4.6 p-10 -81.02 9.12 7.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.541 -177.411 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -94.35 99.51 11.71 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.717 179.756 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 394' ' ' GLN . . . . . 0.413 ' O ' ' HG2' ' A' ' 398' ' ' GLU . 10.3 tt0 -65.89 -38.75 89.59 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.373 178.33 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -59.71 -45.7 91.33 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 121.021 0.439 . . . . 0.0 110.172 -177.351 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 396' ' ' ALA . . . . . 0.453 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -62.65 -40.74 98.0 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.516 178.912 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . 0.45 ' HA ' ' CD1' ' A' ' 400' ' ' LEU . 2.0 t -71.38 -38.07 71.55 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.595 -177.589 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 398' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 394' ' ' GLN . 26.2 mm-40 -57.53 -34.32 69.0 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.833 0.349 . . . . 0.0 111.019 175.768 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -69.61 -41.13 76.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.499 179.075 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 2.0 pp -100.15 15.09 28.57 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.178 0.513 . . . . 0.0 111.328 179.983 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . 0.443 ' HG3' ' O ' ' A' ' 405' ' ' CYS . 79.5 tttt -68.11 -13.01 61.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.374 -177.666 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 402' ' ' GLU . . . . . 0.734 ' HG3' ' HD2' ' A' ' 403' ' ' LYS . 8.7 pt-20 -57.59 -19.42 25.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.598 177.621 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 403' ' ' LYS . . . . . 0.734 ' HD2' ' HG3' ' A' ' 402' ' ' GLU . 0.8 OUTLIER -77.99 -53.5 7.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.73 0.3 . . . . 0.0 110.352 176.602 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 404' ' ' GLY . . . . . 0.453 ' O ' HD11 ' A' ' 416' ' ' LEU . . . 148.56 47.51 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.582 -0.818 . . . . 0.0 111.954 177.097 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 405' ' ' CYS . . . . . 0.443 ' O ' ' HG3' ' A' ' 401' ' ' LYS . 53.6 m -106.15 148.35 27.96 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 120.696 0.284 . . . . 0.0 110.411 -175.955 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 406' ' ' VAL . . . . . 0.616 HG13 ' HD3' ' A' ' 417' ' ' LYS . 8.7 p -133.89 131.71 56.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 178.128 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 407' ' ' PHE . . . . . 0.619 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 30.3 t80 -84.76 124.28 31.37 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-O 120.872 0.367 . . . . 0.0 110.114 -179.582 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -99.33 109.59 22.19 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 178.259 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 8.8 p -70.42 -18.63 63.02 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.767 -174.276 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -75.11 -43.07 54.88 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.397 -177.274 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 21.1 p -85.48 -18.46 33.47 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 174.177 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 6.0 t30 64.35 53.28 1.72 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 114.761 -1.109 . . . . 0.0 109.97 -179.226 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 413' ' ' LYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 392' ' ' ASP . 62.1 pttt -164.41 163.75 22.21 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.604 173.515 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 414' ' ' CYS . . . . . 0.619 ' HA ' ' HA ' ' A' ' 407' ' ' PHE . 14.5 t -99.59 137.9 37.43 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.962 0.411 . . . . 0.0 111.072 -175.566 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -133.64 160.92 36.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.786 -178.039 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.625 ' O ' ' HE2' ' A' ' 418' ' ' LYS . 18.2 tp -69.06 134.29 49.2 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.762 0.315 . . . . 0.0 110.244 178.149 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 417' ' ' LYS . . . . . 0.616 ' HD3' HG13 ' A' ' 406' ' ' VAL . 21.9 tptm -87.58 108.6 19.14 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 176.562 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . 0.625 ' HE2' ' O ' ' A' ' 416' ' ' LEU . 0.0 OUTLIER -62.01 -27.86 69.17 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.432 -177.297 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -62.39 -38.51 89.89 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.936 174.047 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 58.2 t -75.96 -39.85 37.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.077 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . 0.433 ' HE3' ' HB3' ' A' ' 380' ' ' ALA . 58.4 tttm -56.26 -37.94 70.48 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.548 0.689 . . . . 0.0 110.046 174.543 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -60.59 -47.94 83.99 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.737 -1.119 . . . . 0.0 110.768 176.884 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 423' ' ' LYS . . . . . 0.403 ' HB2' ' HE2' ' A' ' 423' ' ' LYS . 0.2 OUTLIER -77.94 -13.83 59.74 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.582 -178.252 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 58.0 tp -79.98 -60.42 2.35 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.278 178.611 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -79.74 -36.03 37.9 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.221 -178.97 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 426' ' ' LYS . . . . . 0.42 ' C ' ' H ' ' A' ' 428' ' ' SER . 48.1 mtmt 58.75 37.26 25.06 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 121.085 0.469 . . . . 0.0 110.061 -175.577 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 73.81 -36.29 0.34 Allowed 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 114.692 -1.14 . . . . 0.0 111.914 179.452 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 428' ' ' SER . . . . . 0.42 ' H ' ' C ' ' A' ' 426' ' ' LYS . 36.7 m -131.72 98.59 4.52 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 120.781 0.324 . . . . 0.0 110.538 -178.113 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 429' ' ' LYS . . . . . 0.455 ' C ' ' H ' ' A' ' 431' ' ' THR . 0.4 OUTLIER -99.86 6.95 45.26 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.083 178.503 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 70.55 -18.21 0.26 Allowed 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.399 0.68 . . . . 0.0 112.583 171.995 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 431' ' ' THR . . . . . 0.455 ' H ' ' C ' ' A' ' 429' ' ' LYS . 30.8 m 79.01 -49.71 0.43 Allowed 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 123.573 0.749 . . . . 0.0 110.828 177.531 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -108.94 11.31 26.06 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.534 0.683 . . . . 0.0 109.232 178.093 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -78.1 66.06 3.2 Favored Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 115.348 -0.842 . . . . 0.0 112.619 -177.533 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 434' ' ' LYS . . . . . 0.442 ' C ' ' H ' ' A' ' 436' ' ' GLU . 20.7 tptm -139.93 -57.81 0.56 Allowed 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.751 -0.462 . . . . 0.0 109.751 176.333 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 16.9 t70 74.85 -33.59 0.25 Allowed 'General case' 0 N--CA 1.473 0.681 0 O-C-N 123.832 0.708 . . . . 0.0 111.93 174.601 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 436' ' ' GLU . . . . . 0.442 ' H ' ' C ' ' A' ' 434' ' ' LYS . 42.6 mt-10 64.57 -96.26 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 122.996 0.518 . . . . 0.0 110.01 -177.819 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -138.52 3.27 2.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.616 0.246 . . . . 0.0 110.422 177.253 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . 178.1 -49.51 0.01 OUTLIER 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.871 -177.488 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 56.98 89.19 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.995 -173.485 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 2.2 p -99.37 25.09 7.28 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.999 -0.546 . . . . 0.0 112.434 -173.892 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 63.7 m 67.19 108.14 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 121.414 0.626 . . . . 0.0 111.455 -179.121 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . 170.58 -38.29 0.18 Allowed Glycine 0 N--CA 1.449 -0.466 0 N-CA-C 111.437 -0.665 . . . . 0.0 111.437 -179.911 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 38.4 t . . . . . 0 C--O 1.247 0.925 0 CA-C-O 118.546 -0.74 . . . . 0.0 109.211 177.087 . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.902 0 N-CA-C 111.96 -0.456 . . . . 0.0 111.96 . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 17.8 m -89.91 25.12 2.18 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -174.711 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -148.71 140.91 24.03 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.838 -0.345 . . . . 0.0 111.064 178.027 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 374' ' ' LYS . . . . . . . . . . . . . 51.4 tttm 69.26 120.25 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.365 0 O-C-N 124.43 1.081 . . . . 0.0 111.916 -179.749 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 375' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -88.3 -176.31 5.32 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.775 176.342 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -103.11 110.9 23.01 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.214 0.53 . . . . 0.0 110.439 178.273 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 377' ' ' THR . . . . . . . . . . . . . 1.9 p -91.19 12.3 20.56 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.992 175.385 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 378' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -48.23 -46.46 35.37 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 114.849 -1.069 . . . . 0.0 112.302 -176.94 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 379' ' ' SER . . . . . 0.681 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 14.2 m -56.82 -48.12 78.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.681 -179.4 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 380' ' ' ALA . . . . . 0.623 ' HB3' ' HE2' ' A' ' 421' ' ' LYS . . . -67.9 -42.12 81.64 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.259 -179.14 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -64.55 -47.49 78.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.617 -174.309 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 382' ' ' ASN . . . . . 0.542 ' O ' HG13 ' A' ' 386' ' ' ILE . 1.8 p30 -77.85 -33.15 52.33 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.869 -177.109 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 383' ' ' LYS . . . . . 0.681 ' HB2' ' O ' ' A' ' 379' ' ' SER . 12.2 mptt -70.48 -46.09 64.43 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-O 121.272 0.558 . . . . 0.0 109.849 -176.976 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -61.18 -39.25 89.44 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.153 -0.931 . . . . 0.0 109.611 178.145 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.59 -37.14 77.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.633 176.658 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 386' ' ' ILE . . . . . 0.593 HG21 ' HG2' ' A' ' 403' ' ' LYS . 94.7 mt -67.34 -43.51 87.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.254 0.549 . . . . 0.0 109.858 179.034 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 34.5 m -65.48 -37.77 87.8 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.273 176.639 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -69.99 -22.29 63.15 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.686 179.042 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -67.63 -16.49 64.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.857 0.36 . . . . 0.0 111.076 174.928 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -90.94 -18.46 24.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.672 176.103 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 60.7 mttp 59.11 -123.98 1.27 Allowed 'General case' 0 C--O 1.232 0.153 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.625 177.452 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -99.23 11.2 39.75 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.878 -175.677 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -94.48 114.04 25.98 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.19 0.519 . . . . 0.0 109.967 179.976 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -72.13 -39.56 68.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.798 -176.764 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -56.18 -53.59 55.27 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.046 175.768 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 396' ' ' ALA . . . . . 0.421 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -60.75 -38.15 84.2 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.782 179.35 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 53.6 t -57.43 -53.62 56.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.731 178.64 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 398' ' ' GLU . . . . . 0.898 ' HA ' ' HB2' ' A' ' 401' ' ' LYS . 14.6 mt-10 -69.15 -14.9 63.25 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.911 -178.258 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 399' ' ' ASN . . . . . 0.403 ' ND2' ' HA ' ' A' ' 396' ' ' ALA . 94.9 m-20 -70.48 -38.76 74.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.763 0.316 . . . . 0.0 110.356 173.511 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 1.4 pp -107.46 13.87 26.45 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.467 0.651 . . . . 0.0 111.116 179.687 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . 0.898 ' HB2' ' HA ' ' A' ' 398' ' ' GLU . 85.6 tttt -55.8 -27.71 52.55 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.812 -1.086 . . . . 0.0 113.685 -177.807 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.02 -17.34 51.68 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -178.465 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 403' ' ' LYS . . . . . 0.593 ' HG2' HG21 ' A' ' 386' ' ' ILE . 13.2 mptt -74.16 -19.3 60.6 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.979 0.419 . . . . 0.0 110.222 176.769 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 404' ' ' GLY . . . . . 0.5 ' O ' HD11 ' A' ' 416' ' ' LEU . . . 116.28 37.22 1.03 Allowed Glycine 0 N--CA 1.447 -0.604 0 N-CA-C 111.27 -0.732 . . . . 0.0 111.27 -178.912 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 405' ' ' CYS . . . . . 0.675 ' HB2' ' HA ' ' A' ' 401' ' ' LYS . 82.4 m -103.06 133.79 47.58 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-O 121.171 0.51 . . . . 0.0 110.912 -170.687 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 406' ' ' VAL . . . . . 0.827 HG12 ' HD3' ' A' ' 417' ' ' LYS . 13.1 p -130.55 134.07 62.7 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.607 177.546 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 407' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -81.8 120.33 25.02 Favored 'General case' 0 N--CA 1.433 -1.288 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 175.794 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -103.11 114.68 29.18 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.578 -177.311 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 15.6 p -63.59 -27.62 69.37 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.161 0.505 . . . . 0.0 111.383 -178.944 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -76.69 -37.74 55.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.161 -177.133 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 41.2 t -88.44 -19.67 26.21 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.184 178.569 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 68.09 23.65 7.99 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.337 178.799 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 43.1 mttp -139.16 165.8 26.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.373 -179.115 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 414' ' ' CYS . . . . . 0.587 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 40.8 t -91.37 120.85 32.58 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 168.564 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -135.1 167.25 21.32 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.755 0.312 . . . . 0.0 110.752 -178.973 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.5 HD11 ' O ' ' A' ' 404' ' ' GLY . 44.9 tp -70.47 129.63 39.76 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.735 176.748 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 417' ' ' LYS . . . . . 0.827 ' HD3' HG12 ' A' ' 406' ' ' VAL . 24.4 tptp -61.92 109.78 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.895 0.379 . . . . 0.0 110.198 -178.826 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . 0.627 ' HA ' ' HE2' ' A' ' 418' ' ' LYS . 11.8 mmpt? -54.99 -38.69 68.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.588 -177.887 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -58.13 -51.15 70.9 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.354 -1.294 . . . . 0.0 111.596 179.886 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 92.7 t -66.05 -54.77 23.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.216 -176.223 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . 0.623 ' HE2' ' HB3' ' A' ' 380' ' ' ALA . 5.7 tmtm? -52.86 -44.07 66.54 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.178 0.513 . . . . 0.0 111.878 -175.36 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -74.57 -49.14 22.95 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.52 -175.375 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -84.25 -6.29 59.37 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -172.452 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 64.7 tp -92.49 -49.32 6.19 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 175.009 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -83.18 -66.99 0.82 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.066 0.46 . . . . 0.0 111.57 -177.592 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 55.5 tttp -92.56 61.34 3.69 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.221 0.534 . . . . 0.0 111.691 -167.485 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . 0.406 ' O ' ' HB3' ' A' ' 428' ' ' SER . 0.0 OUTLIER -120.94 -24.89 5.49 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.932 170.494 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 428' ' ' SER . . . . . 0.406 ' HB3' ' O ' ' A' ' 427' ' ' GLU . 89.2 p 173.08 -36.17 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.87 173.94 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -87.21 31.45 0.72 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.036 -0.529 . . . . 0.0 112.388 -174.316 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -51.94 -64.52 0.79 Allowed 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 173.406 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 431' ' ' THR . . . . . . . . . . . . . 4.7 p -146.04 5.94 1.0 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.371 -0.831 . . . . 0.0 108.805 163.283 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -87.18 98.59 11.39 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.418 -174.464 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 108.54 -30.21 9.09 Favored Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 110.608 -0.997 . . . . 0.0 110.608 -173.263 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 52.4 mttm 67.89 -73.33 0.08 Allowed 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.539 0.736 . . . . 0.0 112.231 175.335 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 435' ' ' ASP . . . . . 0.827 ' HB3' ' HB3' ' A' ' 439' ' ' ASN . 19.2 m-20 -79.63 74.56 6.3 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.778 -0.647 . . . . 0.0 112.289 -171.162 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 37.97 -99.46 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.714 0 O-C-N 124.361 1.038 . . . . 0.0 113.255 174.1 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 58.3 tttp -142.32 97.24 3.09 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.419 177.917 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . 56.69 80.65 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.211 -178.424 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 439' ' ' ASN . . . . . 0.827 ' HB3' ' HB3' ' A' ' 435' ' ' ASP . 51.5 t30 -102.34 149.68 24.09 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 175.414 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 26.9 m 71.15 108.41 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 -172.339 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 10.7 p -53.01 -43.37 66.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.266 -173.925 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . 162.28 -157.12 28.95 Favored Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.303 178.977 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 16.6 m . . . . . 0 C--O 1.244 0.811 0 CA-C-O 118.594 -0.717 . . . . 0.0 110.192 -178.08 . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.771 0 N-CA-C 111.691 -0.564 . . . . 0.0 111.691 . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 50.5 m -147.93 105.15 3.64 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.982 0.42 . . . . 0.0 110.743 178.181 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 51.4 pttt -82.11 -4.62 57.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.528 177.303 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 374' ' ' LYS . . . . . . . . . . . . . 26.6 mmmt -138.91 162.67 34.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.423 -0.808 . . . . 0.0 108.923 174.683 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 375' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 65.84 -178.24 0.19 Allowed 'General case' 0 N--CA 1.466 0.329 0 O-C-N 123.59 0.557 . . . . 0.0 111.288 -176.196 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 72.03 -56.77 0.64 Allowed 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.446 0.698 . . . . 0.0 112.394 179.015 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 377' ' ' THR . . . . . . . . . . . . . 16.9 p -70.34 95.57 1.04 Allowed 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.515 179.78 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 378' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -58.55 -34.17 70.73 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.707 -177.491 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 379' ' ' SER . . . . . 0.672 ' HB2' HD11 ' A' ' 424' ' ' LEU . 14.4 p -59.25 -68.28 0.29 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.604 -178.888 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -65.77 -38.5 89.23 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.167 -0.469 . . . . 0.0 112.171 -174.884 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -74.83 -52.96 10.03 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.879 0.371 . . . . 0.0 110.994 -170.98 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 382' ' ' ASN . . . . . 0.449 ' O ' HG13 ' A' ' 386' ' ' ILE . 0.0 OUTLIER -70.15 -29.22 66.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.931 -176.263 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 383' ' ' LYS . . . . . 0.59 ' HB2' ' O ' ' A' ' 379' ' ' SER . 12.0 tptt -63.97 -49.46 72.42 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 178.391 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -57.38 -39.36 75.9 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.259 175.463 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 3.5 tmtp? -57.98 -43.31 86.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.474 179.654 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 386' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 382' ' ' ASN . 76.2 mt -64.16 -41.74 93.38 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-O 121.319 0.58 . . . . 0.0 109.705 -179.063 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 387' ' ' CYS . . . . . 0.42 ' O ' ' HB3' ' A' ' 414' ' ' CYS . 34.5 m -67.41 -41.97 84.04 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.69 178.279 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -66.22 -30.43 70.88 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.804 0.335 . . . . 0.0 110.146 179.561 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -71.34 -4.98 29.06 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.877 178.475 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -93.43 -14.12 27.15 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 176.482 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt 61.85 -149.65 0.39 Allowed 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.417 175.79 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 392' ' ' ASP . . . . . 0.418 ' HB3' ' HD3' ' A' ' 413' ' ' LYS . 3.7 p-10 -89.81 7.2 38.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.767 178.412 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -80.43 101.75 9.22 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.736 175.98 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 394' ' ' GLN . . . . . 0.551 ' O ' ' HG2' ' A' ' 398' ' ' GLU . 34.2 tt0 -63.64 -35.68 81.33 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.949 -177.442 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -60.63 -45.4 94.19 Favored 'General case' 0 C--O 1.233 0.204 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 -177.463 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 396' ' ' ALA . . . . . 0.606 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -60.82 -44.74 96.5 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.403 176.775 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 31.6 t -61.52 -50.4 72.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.813 179.819 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 398' ' ' GLU . . . . . 0.551 ' HG2' ' O ' ' A' ' 394' ' ' GLN . 70.0 mm-40 -53.54 -40.37 65.47 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.159 0.504 . . . . 0.0 110.908 178.476 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -74.21 -24.59 59.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.734 -0.666 . . . . 0.0 112.27 -174.153 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 2.7 pp -112.12 11.58 20.41 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 121.866 -0.521 . . . . 0.0 111.293 176.355 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 23.5 ttpp -61.77 -25.71 67.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.181 -178.025 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 402' ' ' GLU . . . . . 0.521 ' OE1' ' HG3' ' A' ' 403' ' ' LYS . 0.5 OUTLIER -65.93 -5.22 8.66 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -179.909 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 403' ' ' LYS . . . . . 0.521 ' HG3' ' OE1' ' A' ' 402' ' ' GLU . 53.6 mttp -97.43 -1.24 44.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.638 -0.255 . . . . 0.0 111.382 174.121 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 106.83 23.04 7.31 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.991 176.768 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 405' ' ' CYS . . . . . 0.5 ' HB3' ' SG ' ' A' ' 414' ' ' CYS . 74.9 m -109.07 110.22 21.43 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.857 0.36 . . . . 0.0 110.722 -179.575 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 406' ' ' VAL . . . . . 0.521 HG22 ' HD3' ' A' ' 417' ' ' LYS . 58.2 t -111.06 129.88 65.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.787 -179.465 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 407' ' ' PHE . . . . . 0.444 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 47.2 t80 -64.36 130.62 44.5 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-O 121.201 0.524 . . . . 0.0 110.633 -178.448 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -109.03 108.42 19.13 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.971 -178.586 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 1.1 p -68.61 -22.3 64.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.457 -178.433 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -56.91 -49.49 75.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.602 178.153 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 20.7 t -99.41 -8.75 24.33 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.02 0.438 . . . . 0.0 110.039 178.796 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 4.7 t30 61.62 41.81 11.81 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.687 -176.917 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 413' ' ' LYS . . . . . 0.418 ' HD3' ' HB3' ' A' ' 392' ' ' ASP . 72.9 mmtt -142.12 159.62 41.87 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.27 179.364 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 414' ' ' CYS . . . . . 0.5 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 48.3 t -78.04 127.59 32.56 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 176.344 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -124.63 151.54 44.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.04 -171.842 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.468 HD21 ' HB3' ' A' ' 383' ' ' LYS . 50.9 tp -71.4 129.18 38.18 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 176.045 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 417' ' ' LYS . . . . . 0.521 ' HD3' HG22 ' A' ' 406' ' ' VAL . 50.6 tptt -58.55 114.23 2.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.72 176.424 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . 0.524 ' HA ' ' HB3' ' A' ' 421' ' ' LYS . 54.8 mtmt -69.99 -17.13 63.27 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.88 0.372 . . . . 0.0 111.272 -175.969 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -68.83 -48.04 64.53 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.84 172.215 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 420' ' ' VAL . . . . . 0.5 HG11 HD22 ' A' ' 424' ' ' LEU . 64.0 t -66.79 -41.25 87.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.758 176.479 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . 0.524 ' HB3' ' HA ' ' A' ' 418' ' ' LYS . 19.2 ttmm -53.0 -47.77 68.02 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.748 175.655 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -54.05 -48.94 70.05 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.68 178.383 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -64.12 -46.01 86.06 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.137 -178.841 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 424' ' ' LEU . . . . . 0.912 ' HA ' ' HG2' ' A' ' 427' ' ' GLU . 4.1 pp -74.81 -28.29 60.65 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -175.5 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 425' ' ' GLU . . . . . 0.508 ' N ' HD12 ' A' ' 424' ' ' LEU . 30.3 mt-10 -67.03 -34.9 78.71 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.588 178.181 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 16.1 ttpp -125.62 60.24 1.26 Allowed 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.202 174.059 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . 0.912 ' HG2' ' HA ' ' A' ' 424' ' ' LEU . 4.0 mm-40 -64.13 -75.03 0.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.1 177.464 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 428' ' ' SER . . . . . 0.518 ' O ' ' HA3' ' A' ' 433' ' ' GLY . 48.9 m -146.49 -54.63 0.25 Allowed 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.077 177.607 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 429' ' ' LYS . . . . . 0.478 ' HA ' ' HA3' ' A' ' 433' ' ' GLY . 0.6 OUTLIER -167.22 92.69 0.42 Allowed 'General case' 0 CA--C 1.531 0.221 0 CA-C-O 121.456 0.646 . . . . 0.0 110.849 179.746 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -108.63 -70.91 0.78 Allowed 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 173.847 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 431' ' ' THR . . . . . . . . . . . . . 26.2 m -76.34 -51.29 12.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.221 0.534 . . . . 0.0 110.062 173.44 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -165.57 111.57 0.9 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.523 -0.918 . . . . 0.0 108.523 179.651 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . 0.518 ' HA3' ' O ' ' A' ' 428' ' ' SER . . . -135.26 87.46 0.24 Allowed Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.121 -1.038 . . . . 0.0 113.773 -172.681 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 434' ' ' LYS . . . . . 0.559 ' O ' ' HB2' ' A' ' 439' ' ' ASN . 64.9 mmtt -149.25 58.57 1.02 Allowed 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 172.685 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -93.84 -119.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -172.318 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -69.38 109.16 4.04 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 113.552 0.945 . . . . 0.0 113.552 -162.817 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 37.4 tttp 60.69 10.96 2.87 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 114.351 -1.295 . . . . 0.0 110.011 -178.581 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -91.14 -39.78 11.95 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-N 114.384 -1.28 . . . . 0.0 109.062 178.754 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 439' ' ' ASN . . . . . 0.559 ' HB2' ' O ' ' A' ' 434' ' ' LYS . 46.3 t-20 -82.42 133.83 35.22 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.139 -0.937 . . . . 0.0 108.58 173.55 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 18.6 m 79.64 -44.13 0.3 Allowed 'General case' 0 CA--C 1.535 0.382 0 O-C-N 123.681 0.613 . . . . 0.0 111.275 178.5 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 25.6 m 71.55 135.47 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.4 0.619 . . . . 0.0 112.216 173.921 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . -126.37 97.91 0.51 Allowed Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.906 -0.664 . . . . 0.0 111.913 -179.519 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 18.8 t . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.388 -0.815 . . . . 0.0 109.928 -178.542 . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.694 0 N-CA-C 111.842 -0.503 . . . . 0.0 111.842 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 71.2 m 62.98 177.14 0.15 Allowed 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 121.176 0.513 . . . . 0.0 111.722 179.917 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 21.3 pttm -139.06 111.8 7.76 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.218 0.532 . . . . 0.0 110.504 176.197 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 374' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -84.54 88.03 7.29 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.362 0.601 . . . . 0.0 110.312 -178.71 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 375' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -157.04 -50.74 0.07 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.003 -0.999 . . . . 0.0 108.753 178.207 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 21.5 tp60 -77.35 84.67 3.78 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.219 -0.9 . . . . 0.0 108.688 173.641 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 377' ' ' THR . . . . . . . . . . . . . 4.9 t -108.06 153.28 23.35 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.545 -176.817 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 378' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.41 -38.04 63.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.994 -176.73 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 379' ' ' SER . . . . . 0.51 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 24.6 m -58.42 -47.87 82.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.915 -179.668 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -67.41 -43.75 80.51 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.046 178.565 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -58.78 -55.17 38.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.668 -0.697 . . . . 0.0 112.28 -176.698 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 382' ' ' ASN . . . . . 0.537 ' O ' HG13 ' A' ' 386' ' ' ILE . 2.3 p30 -72.2 -34.22 68.21 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 121.076 -0.249 . . . . 0.0 111.033 -174.5 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 383' ' ' LYS . . . . . 0.653 ' HB3' HD22 ' A' ' 416' ' ' LEU . 11.1 mptt -71.5 -43.05 67.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.794 0.33 . . . . 0.0 110.409 179.723 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 384' ' ' GLU . . . . . 0.438 ' HG3' HD11 ' A' ' 416' ' ' LEU . 17.0 mt-10 -59.04 -37.25 76.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.447 174.769 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 53.4 tptt -67.06 -30.87 71.05 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.621 177.939 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 386' ' ' ILE . . . . . 0.537 HG13 ' O ' ' A' ' 382' ' ' ASN . 91.4 mt -71.35 -44.41 72.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 177.65 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 21.3 m -65.54 -38.17 88.86 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.038 175.953 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.77 -19.25 62.73 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.175 179.566 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -70.4 -20.46 62.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.664 174.589 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 390' ' ' ALA . . . . . 0.444 ' HB2' HD23 ' A' ' 400' ' ' LEU . . . -81.0 -24.4 37.99 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 178.002 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 391' ' ' LYS . . . . . 0.422 ' HB3' ' HZ3' ' A' ' 391' ' ' LYS . 9.3 mtpm? 60.82 -137.87 0.59 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.013 -0.994 . . . . 0.0 111.285 173.081 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -87.02 5.91 35.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.458 -177.592 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 55.2 t-20 -87.63 107.68 18.72 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 177.83 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -65.85 -38.67 89.49 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.461 -178.24 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . 0.541 ' O ' ' HG2' ' A' ' 398' ' ' GLU . 36.1 mtmm -61.37 -48.74 79.9 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.515 179.245 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 396' ' ' ALA . . . . . 0.526 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -60.79 -34.48 74.57 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.05 0.452 . . . . 0.0 110.515 179.8 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 52.5 t -66.21 -49.93 65.6 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.806 177.612 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 398' ' ' GLU . . . . . 0.541 ' HG2' ' O ' ' A' ' 395' ' ' LYS . 8.8 pt-20 -62.27 -27.75 69.24 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.051 -177.991 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 26.8 m-80 -62.58 -59.18 5.29 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.446 174.284 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 1.8 pp -84.3 11.29 8.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.035 0.445 . . . . 0.0 111.609 -178.262 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . 0.459 ' HB2' ' HA ' ' A' ' 398' ' ' GLU . 46.3 tttm -62.39 -17.57 59.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.841 177.758 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -57.42 -30.05 64.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.678 175.199 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -84.54 -2.2 56.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.937 -178.14 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 95.66 38.4 4.71 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.345 -179.806 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 405' ' ' CYS . . . . . 0.554 ' HB3' ' SG ' ' A' ' 414' ' ' CYS . 79.2 m -108.46 118.48 36.9 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 179.171 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 406' ' ' VAL . . . . . 0.526 HG12 HG22 ' A' ' 420' ' ' VAL . 8.6 p -112.98 137.03 47.4 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 -178.971 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 407' ' ' PHE . . . . . 0.466 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 30.4 t80 -85.59 126.05 33.59 Favored 'General case' 0 N--CA 1.439 -0.998 0 CA-C-O 121.262 0.553 . . . . 0.0 110.222 -179.596 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -109.62 113.18 25.73 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.546 176.554 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 2.5 p -70.92 -19.55 62.58 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.85 177.101 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -56.22 -62.93 1.38 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.669 179.612 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 9.5 t -89.49 -4.97 57.71 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.601 0.715 . . . . 0.0 109.393 175.787 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 59.89 67.71 0.85 Allowed 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 114.602 -1.181 . . . . 0.0 111.698 178.649 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 15.8 pttp -170.02 175.02 5.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.223 171.434 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 414' ' ' CYS . . . . . 0.554 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 49.8 t -100.47 126.4 46.88 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 176.366 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -133.93 176.8 8.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.903 0.382 . . . . 0.0 110.98 -178.977 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.653 HD22 ' HB3' ' A' ' 383' ' ' LYS . 8.2 mt -67.63 148.82 50.87 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.112 0.482 . . . . 0.0 111.375 -179.964 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.22 -6.83 19.8 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.136 174.491 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -45.94 -53.38 10.04 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.79 -178.747 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -76.57 -39.95 51.14 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.162 -0.926 . . . . 0.0 111.029 -173.609 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 420' ' ' VAL . . . . . 0.526 HG22 HG12 ' A' ' 406' ' ' VAL . 58.5 t -66.76 -43.61 89.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.858 -178.259 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 18.2 ttmm -69.64 -39.39 77.14 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.637 178.237 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -60.13 -47.32 86.39 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 176.427 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 423' ' ' LYS . . . . . 0.449 ' O ' ' HB2' ' A' ' 427' ' ' GLU . 13.6 tppt? -60.88 -41.36 95.82 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.498 179.235 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -69.11 -60.53 2.29 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.107 -175.801 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -70.2 -26.31 63.82 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -172.972 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -83.31 -19.87 35.44 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 121.189 -0.204 . . . . 0.0 110.566 177.914 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . 0.449 ' HB2' ' O ' ' A' ' 423' ' ' LYS . 37.7 tt0 -69.68 -30.62 68.33 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.97 0.414 . . . . 0.0 110.08 179.173 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 428' ' ' SER . . . . . 0.448 ' C ' ' H ' ' A' ' 430' ' ' GLU . 7.0 m -65.94 -24.63 66.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.755 173.639 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 429' ' ' LYS . . . . . 0.621 ' HZ1' ' HB3' ' A' ' 429' ' ' LYS . 10.0 mtpm? 69.74 -20.7 0.18 Allowed 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.088 0.955 . . . . 0.0 113.014 173.906 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . 0.448 ' H ' ' C ' ' A' ' 428' ' ' SER . 6.8 tp10 -72.08 -25.55 61.81 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.115 0.483 . . . . 0.0 110.16 178.578 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 431' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -83.41 1.93 39.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.185 -177.488 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -102.64 105.52 16.01 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 179.164 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 178.7 -89.4 0.08 OUTLIER Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.24 -178.359 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 434' ' ' LYS . . . . . 0.47 ' CD ' ' HB2' ' A' ' 436' ' ' GLU . 36.8 ttmt -152.91 133.47 13.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.521 0.2 . . . . 0.0 110.591 -178.754 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -79.78 -54.82 5.48 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 174.143 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 436' ' ' GLU . . . . . 0.47 ' HB2' ' CD ' ' A' ' 434' ' ' LYS . 5.6 tp10 62.72 93.47 0.05 Allowed 'General case' 0 C--O 1.235 0.323 0 CA-C-N 114.767 -1.106 . . . . 0.0 111.559 177.557 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 437' ' ' LYS . . . . . 0.872 ' HA ' ' HE3' ' A' ' 437' ' ' LYS . 0.3 OUTLIER 71.6 -61.79 0.48 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.034 178.697 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -165.38 110.51 0.89 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.634 179.599 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 23.1 t30 -60.77 126.4 27.26 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.343 -0.39 . . . . 0.0 109.999 176.644 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 15.8 p -68.73 -19.36 64.35 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.982 -175.06 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 1.9 m 63.3 21.81 13.0 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 121.542 0.687 . . . . 0.0 109.999 -179.723 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . 116.91 -123.18 5.72 Favored Glycine 0 N--CA 1.445 -0.702 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 -175.192 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 14.8 p . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.821 -0.609 . . . . 0.0 110.294 177.12 . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.779 0 N-CA-C 111.825 -0.51 . . . . 0.0 111.825 . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 37.6 t 66.94 112.15 0.04 OUTLIER 'General case' 0 C--O 1.233 0.188 0 C-N-CA 123.341 0.656 . . . . 0.0 110.909 -176.695 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 32.4 mttp 70.04 152.32 0.1 Allowed 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.074 179.92 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 374' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -155.6 -60.97 0.11 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.578 177.804 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 375' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -119.94 116.8 26.52 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 177.792 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -128.03 158.63 37.4 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.039 -175.321 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 377' ' ' THR . . . . . . . . . . . . . 32.3 p 49.71 49.81 19.41 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.724 0.773 . . . . 0.0 110.352 -175.711 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 378' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -55.08 -39.79 69.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.244 -1.344 . . . . 0.0 112.099 -175.133 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 23.0 t -65.03 -55.5 18.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.578 -178.048 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -60.82 -40.76 93.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.853 0.359 . . . . 0.0 110.563 178.677 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -56.05 -56.49 20.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.782 -179.277 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 382' ' ' ASN . . . . . 0.417 ' O ' HG13 ' A' ' 386' ' ' ILE . 2.2 p30 -72.98 -34.11 66.24 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 121.0 -0.28 . . . . 0.0 110.695 -174.868 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 383' ' ' LYS . . . . . 0.565 ' HB3' HD22 ' A' ' 416' ' ' LEU . 3.0 mptp? -54.45 -57.47 11.2 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 173.696 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -56.72 -44.65 81.8 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.563 178.915 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 25.5 tptp -63.51 -38.9 92.92 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.432 0.16 . . . . 0.0 111.432 -177.254 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 386' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 382' ' ' ASN . 85.3 mt -67.79 -44.55 85.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.317 0.58 . . . . 0.0 109.715 178.256 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 387' ' ' CYS . . . . . 0.437 ' O ' ' HB3' ' A' ' 414' ' ' CYS . 62.0 m -63.16 -45.82 90.06 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.841 178.188 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -76.91 -15.28 59.73 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.669 -174.565 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -65.49 -25.56 67.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.716 175.353 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -79.91 -21.7 43.61 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -179.458 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 32.7 mtmm 57.45 -116.69 0.96 Allowed 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.486 175.87 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -94.08 -3.34 51.35 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.481 0.182 . . . . 0.0 111.368 -175.915 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -84.68 106.94 16.61 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.075 0.464 . . . . 0.0 110.374 -176.316 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -69.98 -39.12 76.15 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.878 -179.215 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -52.47 -55.76 19.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.579 179.832 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 396' ' ' ALA . . . . . 0.459 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -65.71 -33.6 76.25 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.497 -177.621 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 51.8 t -59.42 -50.24 74.7 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.421 0.629 . . . . 0.0 110.375 176.65 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 398' ' ' GLU . . . . . 0.615 ' HA ' ' HB2' ' A' ' 401' ' ' LYS . 20.7 mt-10 -77.72 -4.27 45.4 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.625 -177.189 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 -75.67 -41.43 53.96 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 167.398 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 1.4 pp -103.71 18.89 20.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.263 0.554 . . . . 0.0 110.814 178.358 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 401' ' ' LYS . . . . . 0.615 ' HB2' ' HA ' ' A' ' 398' ' ' GLU . 18.3 tptm -45.63 -32.52 2.4 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 114.933 -1.031 . . . . 0.0 111.36 175.233 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -48.49 -44.37 35.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.091 -0.959 . . . . 0.0 112.77 178.947 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -84.65 25.15 0.93 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -167.278 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 89.97 -1.7 80.85 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 121.01 -0.614 . . . . 0.0 111.766 177.516 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 405' ' ' CYS . . . . . 0.57 ' O ' ' HD2' ' A' ' 401' ' ' LYS . 76.2 m -79.19 115.36 18.8 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.165 -0.517 . . . . 0.0 110.855 -178.151 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 12.5 p -127.31 139.42 51.96 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 176.238 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 407' ' ' PHE . . . . . 0.449 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 21.1 t80 -70.21 122.19 19.01 Favored 'General case' 0 N--CA 1.441 -0.923 0 CA-C-O 121.112 0.482 . . . . 0.0 109.767 -179.836 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 25.0 t30 -98.86 101.66 13.13 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 -178.72 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 4.2 p -68.06 -25.87 65.57 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.876 -175.729 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -63.24 -29.37 70.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.321 -178.782 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 6.5 t -121.49 2.31 10.18 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.163 0.506 . . . . 0.0 110.195 178.202 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 4.0 t30 51.59 67.8 0.9 Allowed 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.928 -179.224 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -170.35 153.36 4.36 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.483 175.014 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 414' ' ' CYS . . . . . 0.498 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 37.1 t -73.01 129.12 37.39 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 176.441 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 46.4 tt0 -147.53 154.79 41.17 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.841 0.353 . . . . 0.0 110.892 -173.138 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.565 HD22 ' HB3' ' A' ' 383' ' ' LYS . 44.7 tp -73.68 87.26 1.68 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 173.164 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 417' ' ' LYS . . . . . 0.583 ' HE3' HG13 ' A' ' 420' ' ' VAL . 31.9 tptt -133.13 12.46 4.25 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.499 -175.472 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 8.6 tmtm? -58.02 -39.46 78.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.247 -176.146 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 419' ' ' ASP . . . . . 0.439 ' O ' ' HG2' ' A' ' 423' ' ' LYS . 7.1 m-20 -75.8 -42.66 49.36 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.936 -176.396 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 420' ' ' VAL . . . . . 0.583 HG13 ' HE3' ' A' ' 417' ' ' LYS . 39.6 t -62.64 -46.75 95.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.994 -177.457 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -63.69 -39.86 95.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.155 0.502 . . . . 0.0 110.347 178.367 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -63.35 -41.69 98.86 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.764 -178.865 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 423' ' ' LYS . . . . . 0.439 ' HG2' ' O ' ' A' ' 419' ' ' ASP . 34.6 mmtp -77.98 -13.29 59.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.693 179.105 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 55.9 tp -86.52 -45.45 11.08 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.609 179.124 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -65.34 -49.76 68.18 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.662 -179.974 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 79.5 mttt 61.44 -80.61 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.504 0 O-C-N 123.845 0.715 . . . . 0.0 111.874 178.776 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -107.01 -61.71 1.51 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.604 0.716 . . . . 0.0 109.436 -173.956 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 20.3 m -149.05 -65.18 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.102 -0.954 . . . . 0.0 109.496 176.776 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 429' ' ' LYS . . . . . 0.57 ' HD3' HG21 ' A' ' 431' ' ' THR . 0.0 OUTLIER -159.48 -11.93 0.06 Allowed 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 113.002 0.741 . . . . 0.0 113.002 177.873 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 59.0 99.21 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.201 0.524 . . . . 0.0 111.562 -178.314 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 431' ' ' THR . . . . . 0.57 HG21 ' HD3' ' A' ' 429' ' ' LYS . 13.5 p -130.02 17.68 5.6 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 -179.456 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -72.7 107.91 5.42 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 171.847 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 108.77 16.49 11.6 Favored Glycine 0 N--CA 1.445 -0.702 0 N-CA-C 109.957 -1.257 . . . . 0.0 109.957 -168.703 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 7.0 mmmm -140.87 -71.96 0.36 Allowed 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.036 -0.582 . . . . 0.0 111.176 -178.83 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -122.82 -165.28 1.28 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.917 -167.079 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 69.61 -3.71 1.58 Allowed 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.816 -179.085 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 51.5 mttp -128.85 17.34 6.26 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 177.495 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . 68.52 156.85 0.13 Allowed 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.542 -176.753 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -134.2 96.12 3.55 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.524 -178.637 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 14.7 m -105.4 102.69 12.15 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.468 178.588 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 18.0 p -97.02 15.71 21.64 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.598 -177.451 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . 105.23 21.75 8.68 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.269 179.905 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 37.1 m . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.735 -0.65 . . . . 0.0 109.973 179.11 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 379' ' ' SER . . . . . 0.416 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 16.0 m . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.806 0.336 . . . . 0.0 111.426 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -75.85 -31.09 59.17 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.689 -0.404 . . . . 0.0 111.455 -177.641 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -59.01 -61.33 2.72 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-O 120.747 0.308 . . . . 0.0 110.919 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 382' ' ' ASN . . . . . 0.473 ' O ' HG13 ' A' ' 386' ' ' ILE . 2.9 p30 -64.46 -33.13 75.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.573 -176.3 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 383' ' ' LYS . . . . . 0.721 ' HA ' ' HE3' ' A' ' 383' ' ' LYS . 0.0 OUTLIER -63.25 -53.58 50.75 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 121.417 0.627 . . . . 0.0 109.442 178.402 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -59.6 -40.83 88.76 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.798 -1.092 . . . . 0.0 110.9 178.532 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -62.76 -39.93 95.69 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.704 -178.012 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 386' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 382' ' ' ASN . 89.8 mt -64.81 -40.68 89.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.249 0.547 . . . . 0.0 109.849 179.124 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 32.9 m -66.14 -44.78 83.22 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.551 176.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -71.7 -17.96 62.19 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.019 -177.407 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -68.34 -18.33 64.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.914 0.388 . . . . 0.0 110.707 176.185 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -92.28 -11.43 35.25 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 177.473 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? 56.98 -96.76 0.07 Allowed 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 114.615 -1.175 . . . . 0.0 111.804 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -131.67 18.32 4.73 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.935 0.398 . . . . 0.0 111.011 -175.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -81.11 110.0 16.2 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 173.159 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 394' ' ' GLN . . . . . 0.482 ' O ' ' HG2' ' A' ' 398' ' ' GLU . 64.9 tt0 -65.63 -48.72 71.26 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.316 -175.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -59.94 -42.0 93.05 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.678 0.275 . . . . 0.0 110.887 -176.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 396' ' ' ALA . . . . . 0.572 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -60.45 -39.73 88.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.121 0.486 . . . . 0.0 110.509 177.359 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 12.9 t -69.88 -38.2 76.29 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.377 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 398' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' A' ' 394' ' ' GLN . 10.9 mm-40 -57.96 -35.31 70.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.407 175.094 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -73.95 -31.46 63.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.623 176.533 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 78.7 mt -87.56 0.46 55.57 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.966 -179.523 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 401' ' ' LYS . . . . . 0.537 ' HA ' ' O ' ' A' ' 405' ' ' CYS . 4.1 tmtp? -56.97 -33.4 67.02 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.242 -178.28 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -66.05 -23.43 66.54 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.225 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 49.4 mttm -94.3 4.43 53.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.815 -174.528 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 99.84 11.55 43.12 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.756 177.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 405' ' ' CYS . . . . . 0.537 ' O ' ' HA ' ' A' ' 401' ' ' LYS . 90.8 m -94.68 130.68 41.08 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.993 0.425 . . . . 0.0 111.211 -179.679 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 9.5 p -129.93 130.8 66.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.133 178.385 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 407' ' ' PHE . . . . . 0.403 ' CD1' ' HA ' ' A' ' 394' ' ' GLN . 25.5 t80 -70.0 125.78 27.75 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-O 121.082 0.467 . . . . 0.0 109.842 177.614 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -106.35 108.64 20.26 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.501 -178.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 34.5 p -69.57 -25.73 64.13 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.607 -176.077 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -59.07 -49.87 76.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.63 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 13.2 m -95.26 -12.69 25.79 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.12 -178.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 60.28 68.56 0.76 Allowed 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.583 0.706 . . . . 0.0 110.574 -176.675 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -170.44 165.61 8.59 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.913 175.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 414' ' ' CYS . . . . . 0.501 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 42.2 t -83.82 116.02 22.53 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 174.809 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -120.42 158.33 27.43 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.122 -171.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.643 HD13 ' HB3' ' A' ' 383' ' ' LYS . 50.7 tp . . . . . 0 C--N 1.323 -0.575 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 178.119 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt . . . . . 0 CA--C 1.52 -0.178 0 CA-C-O 121.561 0.696 . . . . 0.0 109.839 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -55.31 -59.69 4.44 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.313 -1.312 . . . . 0.0 110.296 174.377 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 98.2 t -69.0 -36.72 75.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.672 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 421' ' ' LYS . . . . . 0.637 ' HA ' ' HE2' ' A' ' 421' ' ' LYS . 0.6 OUTLIER -56.16 -42.49 77.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.809 0.338 . . . . 0.0 111.344 -179.548 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -77.44 -44.01 30.49 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.557 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 40.2 mtpt -64.6 -30.51 71.53 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.679 -178.046 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 63.4 tp -78.62 -34.26 46.75 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.093 0.473 . . . . 0.0 110.138 175.677 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.441 -179.396 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 379' ' ' SER . . . . . 0.566 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 13.0 p . . . . . 0 N--CA 1.456 -0.126 0 N-CA-C 112.181 0.438 . . . . 0.0 112.181 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -62.02 -48.78 78.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.619 0.247 . . . . 0.0 111.553 -176.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -64.44 -54.6 30.05 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -174.341 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 382' ' ' ASN . . . . . 0.478 ' O ' HG13 ' A' ' 386' ' ' ILE . 2.4 p30 -72.99 -35.47 66.87 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.543 -173.253 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 383' ' ' LYS . . . . . 0.723 ' HB3' HD13 ' A' ' 416' ' ' LEU . 13.0 mptt -69.44 -45.72 68.45 Favored 'General case' 0 CA--C 1.515 -0.389 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.593 -179.238 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -55.42 -41.32 72.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.867 0.365 . . . . 0.0 110.261 176.658 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -63.07 -41.3 99.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.653 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 386' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 382' ' ' ASN . 85.9 mt -67.37 -47.3 81.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.224 0.535 . . . . 0.0 109.843 179.764 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 57.9 m -61.99 -41.32 97.91 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.854 178.563 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -74.71 -21.14 59.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.979 -177.447 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -70.9 -19.45 62.6 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.877 0.37 . . . . 0.0 110.889 175.478 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -86.08 -13.89 45.94 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 176.738 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp 54.87 -115.3 0.94 Allowed 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 114.361 -1.291 . . . . 0.0 112.394 177.161 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 392' ' ' ASP . . . . . 0.594 ' HA ' ' HA ' ' A' ' 413' ' ' LYS . 3.9 m-20 -115.3 16.48 16.8 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.987 -171.178 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 52.6 t-20 -87.66 111.95 21.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.88 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 394' ' ' GLN . . . . . 0.519 ' HA ' ' CD1' ' A' ' 407' ' ' PHE . 64.3 tt0 -61.17 -50.59 72.53 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.235 -179.189 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 395' ' ' LYS . . . . . 0.445 ' HA ' ' HD3' ' A' ' 395' ' ' LYS . 66.6 mmtt -65.68 -40.29 92.22 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.7 -174.34 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 396' ' ' ALA . . . . . 0.533 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -60.68 -38.7 85.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.081 0.467 . . . . 0.0 110.189 176.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 32.4 t -69.14 -45.31 70.42 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.479 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 398' ' ' GLU . . . . . 0.425 ' HG3' ' O ' ' A' ' 394' ' ' GLN . 42.5 mt-10 -57.79 -31.28 66.4 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.07 178.737 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -67.81 -56.96 7.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.872 178.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 1.6 pp -85.4 11.8 9.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.024 0.44 . . . . 0.0 111.605 -177.707 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 401' ' ' LYS . . . . . 0.416 ' HG2' ' O ' ' A' ' 405' ' ' CYS . 1.7 tmtp? -57.09 -30.3 64.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.131 176.088 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -63.13 -26.89 69.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.354 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -77.28 -63.49 1.36 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.782 -176.062 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 179.64 25.81 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.148 -1.025 . . . . 0.0 112.555 177.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 405' ' ' CYS . . . . . 0.523 ' HB3' ' SG ' ' A' ' 414' ' ' CYS . 79.6 m -118.14 149.58 40.81 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.783 -176.655 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 10.3 p -142.08 137.9 30.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 176.596 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 407' ' ' PHE . . . . . 0.519 ' CD1' ' HA ' ' A' ' 394' ' ' GLN . 23.6 t80 -75.62 124.79 27.83 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-O 121.343 0.592 . . . . 0.0 110.093 -179.443 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 28.8 t30 -102.88 109.74 21.41 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.69 -178.544 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 1.8 p -68.46 -18.37 64.4 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.837 -0.62 . . . . 0.0 112.127 -175.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -67.16 -55.06 15.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.21 0.528 . . . . 0.0 110.015 174.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 8.6 t -88.81 7.31 34.73 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.328 -176.369 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 45.7 33.05 1.34 Allowed 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.218 1.007 . . . . 0.0 112.626 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 413' ' ' LYS . . . . . 0.594 ' HA ' ' HA ' ' A' ' 392' ' ' ASP . 0.1 OUTLIER -149.03 176.58 10.33 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 121.077 -0.249 . . . . 0.0 110.616 -177.58 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 414' ' ' CYS . . . . . 0.523 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 49.9 t -94.81 125.71 39.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.289 -178.153 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -130.3 175.0 9.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.204 0.526 . . . . 0.0 111.402 -177.305 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.723 HD13 ' HB3' ' A' ' 383' ' ' LYS . 26.8 tp . . . . . 0 C--N 1.326 -0.45 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.922 -178.194 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 27.6 ttmt . . . . . 0 CA--C 1.513 -0.467 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -59.04 -45.28 91.15 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.78 -1.1 . . . . 0.0 109.649 175.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 420' ' ' VAL . . . . . 0.46 ' O ' ' HG ' ' A' ' 424' ' ' LEU . 61.8 t -64.82 -51.12 71.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 114.997 -1.001 . . . . 0.0 110.438 179.406 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 17.3 ttmt -62.6 -34.95 78.03 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.085 -177.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -61.03 -43.05 99.47 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.665 -178.037 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 31.7 mtmm -78.17 -18.75 55.15 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 120.847 0.356 . . . . 0.0 111.856 178.685 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 424' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 420' ' ' VAL . 87.2 mt -83.82 -44.5 14.28 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.839 0.352 . . . . 0.0 110.164 177.204 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.34 176.697 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 379' ' ' SER . . . . . 0.63 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 12.3 m . . . . . 0 CA--C 1.53 0.202 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -67.85 -34.61 77.03 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.778 0.323 . . . . 0.0 111.307 -178.001 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -68.08 -53.13 27.76 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.344 -176.555 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 382' ' ' ASN . . . . . 0.533 ' O ' HG13 ' A' ' 386' ' ' ILE . 1.6 p30 -73.34 -30.25 63.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 -175.355 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 383' ' ' LYS . . . . . 0.63 ' HB2' ' O ' ' A' ' 379' ' ' SER . 11.8 tptt -67.08 -48.65 67.56 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 121.348 0.595 . . . . 0.0 109.686 -177.296 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 384' ' ' GLU . . . . . 0.431 ' HA ' ' HB2' ' A' ' 416' ' ' LEU . 8.8 tp10 -60.54 -39.4 87.77 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.915 -1.039 . . . . 0.0 110.348 178.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 2.0 tmtm? -62.7 -38.53 90.77 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.237 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 386' ' ' ILE . . . . . 0.533 HG13 ' O ' ' A' ' 382' ' ' ASN . 89.2 mt -61.75 -40.02 85.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.543 0.687 . . . . 0.0 109.898 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 32.8 m -71.62 -40.45 69.79 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.787 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -69.53 -17.47 63.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.446 -179.539 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -68.17 -19.62 64.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.884 0.373 . . . . 0.0 111.096 176.506 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 390' ' ' ALA . . . . . 0.415 ' HB2' HD21 ' A' ' 400' ' ' LEU . . . -87.32 -22.05 25.35 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.282 0.563 . . . . 0.0 109.745 177.297 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 90.7 mttt 61.29 -96.64 0.06 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 114.802 -1.09 . . . . 0.0 111.925 176.429 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 392' ' ' ASP . . . . . 0.449 ' HA ' ' HA ' ' A' ' 413' ' ' LYS . 9.1 p-10 -122.15 2.54 9.82 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.931 0.396 . . . . 0.0 110.755 -176.654 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -80.47 106.25 12.34 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.962 0.41 . . . . 0.0 110.09 -176.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -61.17 -42.05 97.88 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.181 -179.056 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 18.3 mtpp -61.96 -50.56 71.63 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 -178.602 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 396' ' ' ALA . . . . . 0.61 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -60.18 -37.48 80.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.623 -179.635 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 397' ' ' CYS . . . . . 0.424 ' HA ' HD11 ' A' ' 400' ' ' LEU . 42.5 t -62.82 -51.87 65.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.543 179.182 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -63.13 -18.23 63.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.249 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -75.69 -45.96 33.91 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-O 120.771 0.319 . . . . 0.0 110.744 175.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.61 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 1.4 pp -97.56 15.07 24.42 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.426 0.631 . . . . 0.0 110.805 -179.131 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 3.3 tmtp? -51.65 -25.73 7.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.621 -1.172 . . . . 0.0 112.014 178.158 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -62.06 -23.14 66.31 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.351 -0.84 . . . . 0.0 112.14 -174.457 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 403' ' ' LYS . . . . . 0.478 ' HD2' ' N ' ' A' ' 403' ' ' LYS . 11.1 mptt -88.58 -4.13 58.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.757 0.313 . . . . 0.0 111.708 -173.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 111.63 8.9 22.15 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.949 -0.643 . . . . 0.0 111.54 -179.61 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 54.3 m -87.09 126.83 35.02 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.219 -0.49 . . . . 0.0 110.837 -177.649 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 28.3 m -124.01 146.11 30.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 176.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 407' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -83.63 128.42 34.51 Favored 'General case' 0 N--CA 1.435 -1.218 0 C-N-CA 120.305 -0.558 . . . . 0.0 109.763 177.43 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -104.12 103.86 13.71 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.295 -179.628 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 34.1 p -66.75 -27.09 67.32 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.935 -173.183 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -59.21 -56.72 18.5 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.119 0.485 . . . . 0.0 110.624 -179.303 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 23.2 t -88.23 -11.04 47.8 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.767 -177.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 59.52 73.04 0.5 Allowed 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.65 0.738 . . . . 0.0 110.058 -173.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 413' ' ' LYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 392' ' ' ASP . 22.0 ptmt -165.91 158.87 15.27 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.098 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 414' ' ' CYS . . . . . . . . . . . . . 46.3 t -99.52 127.05 45.58 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 171.34 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -139.91 160.48 39.82 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.626 HD22 ' HB3' ' A' ' 383' ' ' LYS . 34.9 tp . . . . . 0 C--N 1.321 -0.665 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 176.134 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 24.9 mtmm . . . . . 0 CA--C 1.518 -0.282 0 CA-C-O 121.463 0.649 . . . . 0.0 110.663 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 419' ' ' ASP . . . . . 0.61 ' O ' ' HG3' ' A' ' 423' ' ' LYS . 2.7 t70 -59.71 -54.1 50.32 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.603 -1.181 . . . . 0.0 111.092 175.421 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 91.8 t -78.39 -31.93 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.231 -178.545 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 421' ' ' LYS . . . . . 0.77 ' HA ' ' HE2' ' A' ' 421' ' ' LYS . 0.6 OUTLIER -55.86 -46.31 78.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.941 176.176 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -61.81 -46.31 90.07 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.619 176.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 423' ' ' LYS . . . . . 0.61 ' HG3' ' O ' ' A' ' 419' ' ' ASP . 55.5 mttm -64.49 -21.65 66.74 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.037 0.446 . . . . 0.0 111.478 -178.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 41.6 tp -82.52 -36.52 26.29 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.586 -178.332 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 425' ' ' GLU . . . . . 0.437 ' OE2' ' HG3' ' A' ' 421' ' ' LYS . 8.5 pt-20 . . . . . 0 C--N 1.33 -0.27 0 CA-C-O 120.984 0.421 . . . . 0.0 110.854 178.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 CA--C 1.534 0.352 0 CA-C-O 121.228 0.537 . . . . 0.0 110.78 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -63.64 -39.61 94.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.011 0.434 . . . . 0.0 110.511 179.442 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -63.97 -55.45 22.33 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.815 -177.479 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 382' ' ' ASN . . . . . 0.603 ' O ' HG13 ' A' ' 386' ' ' ILE . 0.1 OUTLIER -72.04 -13.42 61.6 Favored 'General case' 0 C--O 1.224 -0.285 0 C-N-CA 120.382 -0.527 . . . . 0.0 112.153 -173.229 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 383' ' ' LYS . . . . . 0.458 ' HB3' HD22 ' A' ' 416' ' ' LEU . 3.1 mptp? -70.76 -49.48 46.3 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 171.619 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -63.75 -35.0 79.14 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.873 -1.058 . . . . 0.0 109.345 177.115 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 42.1 tptt -61.99 -41.63 98.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.085 -0.961 . . . . 0.0 111.332 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 386' ' ' ILE . . . . . 0.603 HG13 ' O ' ' A' ' 382' ' ' ASN . 85.2 mt -63.76 -39.63 86.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 121.384 0.611 . . . . 0.0 109.613 -179.627 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 387' ' ' CYS . . . . . 0.549 ' O ' ' HB3' ' A' ' 414' ' ' CYS . 58.9 m -63.9 -45.51 89.04 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.622 175.288 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -66.58 -23.8 66.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 -178.152 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -75.78 -27.66 58.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.575 177.201 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -83.44 -31.92 26.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.878 0.371 . . . . 0.0 110.645 -177.619 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt 63.63 -95.84 0.05 OUTLIER 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.467 -0.788 . . . . 0.0 112.286 172.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -118.09 -0.82 11.52 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 120.441 0.163 . . . . 0.0 111.225 -174.376 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -77.62 93.26 4.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.089 0.471 . . . . 0.0 110.066 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 394' ' ' GLN . . . . . 0.477 ' O ' ' HG2' ' A' ' 398' ' ' GLU . 44.9 tt0 -64.35 -37.42 87.43 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.87 -173.056 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -56.61 -43.5 80.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.606 0.241 . . . . 0.0 111.097 179.144 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 396' ' ' ALA . . . . . 0.732 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -61.63 -44.8 96.31 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 177.838 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 397' ' ' CYS . . . . . 0.576 ' HA ' HD11 ' A' ' 400' ' ' LEU . 85.4 m -61.69 -39.36 91.16 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.939 -1.028 . . . . 0.0 111.622 -179.378 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 398' ' ' GLU . . . . . 0.477 ' HG2' ' O ' ' A' ' 394' ' ' GLN . 27.9 mm-40 -59.04 -36.74 75.51 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.0 0.429 . . . . 0.0 110.531 175.76 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -75.72 -57.3 3.96 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.083 -178.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.732 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 2.5 pp -78.26 6.39 8.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.557 -176.018 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 401' ' ' LYS . . . . . 0.506 ' HG2' ' O ' ' A' ' 405' ' ' CYS . 8.3 tmtm? -58.57 -33.67 70.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.389 0.614 . . . . 0.0 109.569 173.613 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -80.24 -2.66 46.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.641 -178.367 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -106.15 14.83 27.14 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.18 0.514 . . . . 0.0 110.455 -178.393 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 93.79 65.64 1.05 Allowed Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.544 -179.047 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 405' ' ' CYS . . . . . 0.506 ' O ' ' HG2' ' A' ' 401' ' ' LYS . 8.1 t -170.38 167.55 8.28 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 -179.385 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 12.1 p -162.11 137.71 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 172.099 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 407' ' ' PHE . . . . . 0.495 ' HD2' ' SG ' ' A' ' 397' ' ' CYS . 25.5 t80 -70.65 123.7 22.5 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 177.196 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -98.72 108.19 20.82 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 18.8 p -76.5 -13.37 60.1 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.628 -175.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -69.54 -44.99 69.83 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.731 -177.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 12.9 p -103.39 -1.45 28.58 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.256 0.55 . . . . 0.0 109.942 174.348 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 4.2 t30 55.65 70.43 0.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.77 -1.105 . . . . 0.0 110.943 -179.521 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -162.02 155.16 20.53 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.562 179.182 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 414' ' ' CYS . . . . . 0.549 ' HB3' ' O ' ' A' ' 387' ' ' CYS . 0.1 OUTLIER -69.87 117.83 11.95 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.667 168.186 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -135.46 141.37 45.35 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.053 0.454 . . . . 0.0 110.955 -176.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.548 HD21 ' HD3' ' A' ' 421' ' ' LYS . 19.3 tp . . . . . 0 C--N 1.319 -0.749 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 175.355 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 418' ' ' LYS . . . . . 0.596 ' O ' ' HB2' ' A' ' 422' ' ' GLU . 51.4 mtpt . . . . . 0 N--CA 1.451 -0.393 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -63.17 -64.58 0.87 Allowed 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.651 0.739 . . . . 0.0 109.685 173.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 420' ' ' VAL . . . . . 0.428 ' O ' HD23 ' A' ' 424' ' ' LEU . 44.4 t -61.45 -42.75 95.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 114.715 -1.129 . . . . 0.0 110.372 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 421' ' ' LYS . . . . . 0.548 ' HD3' HD21 ' A' ' 416' ' ' LEU . 15.2 ttpp -60.62 -32.05 71.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.628 -179.451 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 422' ' ' GLU . . . . . 0.596 ' HB2' ' O ' ' A' ' 418' ' ' LYS . 6.5 tp10 -66.62 -52.25 47.19 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.395 -177.764 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 18.0 ttpp -75.45 -21.56 58.03 Favored 'General case' 0 C--O 1.225 -0.19 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.498 -176.128 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 424' ' ' LEU . . . . . 0.428 HD23 ' O ' ' A' ' 420' ' ' VAL . 3.9 mm? -78.45 -45.47 22.11 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.196 0.522 . . . . 0.0 110.108 177.198 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 . . . . . 0 C--N 1.322 -0.602 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.465 174.265 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 379' ' ' SER . . . . . 0.476 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 5.9 m . . . . . 0 N--CA 1.455 -0.177 0 CA-C-O 120.954 0.407 . . . . 0.0 111.283 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -67.7 -34.99 77.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.395 -177.338 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -66.38 -56.96 8.54 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.663 -176.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 382' ' ' ASN . . . . . 0.562 ' O ' HG13 ' A' ' 386' ' ' ILE . 1.2 p30 -66.91 -32.09 73.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.322 -175.751 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 383' ' ' LYS . . . . . 0.684 ' HB3' HD13 ' A' ' 416' ' ' LEU . 0.3 OUTLIER -70.53 -45.28 65.84 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 -179.462 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 384' ' ' GLU . . . . . 0.5 ' HA ' ' HB2' ' A' ' 416' ' ' LEU . 7.1 tp10 -53.78 -47.68 70.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.67 174.805 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -60.46 -37.36 80.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.173 -0.921 . . . . 0.0 111.841 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 386' ' ' ILE . . . . . 0.562 HG13 ' O ' ' A' ' 382' ' ' ASN . 77.2 mt -62.93 -42.72 97.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.448 0.642 . . . . 0.0 109.624 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 30.0 m -72.03 -37.53 69.72 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 114.946 -1.024 . . . . 0.0 110.827 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -71.48 -21.68 61.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.832 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -66.05 -14.12 61.16 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 120.787 0.327 . . . . 0.0 111.804 177.508 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -91.07 -21.54 21.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.087 0.47 . . . . 0.0 110.031 176.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 13.9 mtpp 57.12 -103.98 0.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.25 -0.886 . . . . 0.0 112.561 178.136 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -103.13 -7.92 20.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.817 -174.231 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -80.92 94.47 6.51 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.062 0.458 . . . . 0.0 109.809 -177.545 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -60.87 -46.03 92.22 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.064 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -61.05 -45.23 95.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.033 -175.518 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 396' ' ' ALA . . . . . 0.525 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -62.25 -36.56 82.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.035 0.445 . . . . 0.0 110.425 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 397' ' ' CYS . . . . . 0.54 ' HA ' HD11 ' A' ' 400' ' ' LEU . 1.9 t -75.18 -36.37 61.47 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.302 -179.059 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -62.44 -25.16 67.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.937 0.398 . . . . 0.0 110.549 175.132 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -76.55 -51.23 12.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.858 177.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.54 HD11 ' HA ' ' A' ' 397' ' ' CYS . 1.6 pp -86.66 14.36 7.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.417 0.627 . . . . 0.0 110.593 178.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 401' ' ' LYS . . . . . 0.594 ' HG3' ' O ' ' A' ' 405' ' ' CYS . 66.0 tttt -59.01 -15.03 11.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.89 175.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -53.43 -27.74 26.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.549 174.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 403' ' ' LYS . . . . . 0.404 ' HD2' ' N ' ' A' ' 403' ' ' LYS . 3.3 mptp? -85.84 -8.61 57.97 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.794 0.331 . . . . 0.0 111.287 -178.594 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 404' ' ' GLY . . . . . 0.466 ' O ' HD12 ' A' ' 416' ' ' LEU . . . 99.01 52.61 1.25 Allowed Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.878 -0.677 . . . . 0.0 111.919 -177.301 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 405' ' ' CYS . . . . . 0.594 ' O ' ' HG3' ' A' ' 401' ' ' LYS . 92.1 m -115.91 117.73 30.98 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.905 0.383 . . . . 0.0 110.777 -177.349 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 57.3 t -117.12 116.52 52.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.189 -177.449 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 407' ' ' PHE . . . . . 0.818 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 26.5 t80 -61.06 121.05 11.49 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 175.347 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 408' ' ' ASN . . . . . 0.505 ' ND2' ' HB3' ' A' ' 410' ' ' GLU . 65.5 t30 -109.74 105.6 14.91 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.41 -173.181 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 10.6 p -62.52 -21.29 65.42 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.042 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 410' ' ' GLU . . . . . 0.505 ' HB3' ' ND2' ' A' ' 408' ' ' ASN . 26.6 tp10 -58.08 -39.75 79.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.527 176.537 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 15.2 m -106.48 -9.76 16.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.085 179.548 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 7.8 t30 71.98 15.84 5.55 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 121.813 0.816 . . . . 0.0 110.33 178.391 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -136.29 162.08 33.99 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 178.332 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 414' ' ' CYS . . . . . 0.818 ' HA ' ' HA ' ' A' ' 407' ' ' PHE . 16.4 t -82.28 128.66 34.42 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 120.234 -0.587 . . . . 0.0 109.559 176.467 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -124.24 174.69 7.53 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.842 -177.233 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.684 HD13 ' HB3' ' A' ' 383' ' ' LYS . 57.9 tp . . . . . 0 C--N 1.323 -0.572 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.152 176.288 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 418' ' ' LYS . . . . . 0.65 ' HA ' ' HB2' ' A' ' 421' ' ' LYS . 58.1 pttt . . . . . 0 C--O 1.225 -0.211 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -64.52 -43.73 93.11 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 168.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 420' ' ' VAL . . . . . 0.423 ' HA ' ' HG2' ' A' ' 423' ' ' LYS . 46.4 t -77.59 -37.93 25.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.265 178.582 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 421' ' ' LYS . . . . . 0.65 ' HB2' ' HA ' ' A' ' 418' ' ' LYS . 27.9 mtpp -60.42 -43.67 96.52 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.933 178.533 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -60.58 -57.25 13.54 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.716 177.1 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 423' ' ' LYS . . . . . 0.423 ' HG2' ' HA ' ' A' ' 420' ' ' VAL . 20.1 ptmt -66.27 -16.65 64.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.269 -0.423 . . . . 0.0 112.055 -173.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 57.7 tp -88.44 -42.91 11.84 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.756 0.313 . . . . 0.0 111.038 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 . . . . . 0 C--N 1.326 -0.434 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.322 -173.933 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 18.1 m . . . . . 0 N--CA 1.454 -0.26 0 CA-C-O 120.984 0.421 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -71.03 -37.86 72.6 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.245 176.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -58.77 -54.15 50.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.973 -177.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 382' ' ' ASN . . . . . 0.474 ' O ' HG13 ' A' ' 386' ' ' ILE . 3.4 p30 -73.52 -31.12 63.52 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.921 -175.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 383' ' ' LYS . . . . . 0.437 ' HB3' HD13 ' A' ' 416' ' ' LEU . 13.3 mptt -71.88 -35.14 69.67 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 120.96 0.41 . . . . 0.0 109.962 177.108 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -58.3 -44.27 88.45 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.643 173.642 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 385' ' ' LYS . . . . . 0.509 ' HD3' ' O ' ' A' ' 385' ' ' LYS . 1.4 tmtp? -63.93 -32.86 74.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.521 -179.623 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 386' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 382' ' ' ASN . 71.5 mt -63.43 -44.98 99.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.334 0.588 . . . . 0.0 109.541 178.644 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 35.4 m -71.33 -39.92 71.08 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.588 178.633 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -68.02 -19.3 64.89 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -71.11 -18.4 62.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.87 0.367 . . . . 0.0 110.685 176.736 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -86.75 -15.95 37.87 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 175.67 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp 57.53 -141.15 0.78 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 114.662 -1.153 . . . . 0.0 111.152 175.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 392' ' ' ASP . . . . . 0.601 ' HA ' ' HA ' ' A' ' 413' ' ' LYS . 6.7 p-10 -86.16 5.85 32.08 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.086 -179.406 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -84.76 102.03 12.7 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.159 0.504 . . . . 0.0 109.993 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -65.34 -34.45 78.36 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.959 -175.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -57.16 -46.52 82.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.764 178.327 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 396' ' ' ALA . . . . . 0.47 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -64.57 -40.11 94.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.492 178.594 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 27.2 t -60.71 -48.46 81.68 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.56 179.238 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -60.98 -27.45 68.3 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.502 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -70.07 -36.88 75.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.935 0.398 . . . . 0.0 111.016 178.038 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 1.7 pp -111.26 20.6 17.18 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.404 0.621 . . . . 0.0 110.984 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 4.9 tmtp? -54.76 -42.54 71.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.875 -1.057 . . . . 0.0 111.837 -178.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -63.93 -15.39 59.03 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.889 -177.096 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -80.93 3.15 23.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.747 0.308 . . . . 0.0 111.196 -179.02 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 100.06 12.59 39.24 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.052 179.345 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 405' ' ' CYS . . . . . 0.629 ' HB3' ' SG ' ' A' ' 414' ' ' CYS . 96.4 m -98.94 118.28 35.36 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.006 0.431 . . . . 0.0 110.552 -178.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 59.8 t -120.87 125.26 73.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.832 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 407' ' ' PHE . . . . . 0.59 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 26.2 t80 -66.26 123.03 18.83 Favored 'General case' 0 N--CA 1.44 -0.928 0 CA-C-O 121.051 0.453 . . . . 0.0 109.785 177.266 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -99.74 112.98 25.18 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.364 -179.244 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 21.3 p -71.61 -12.22 61.24 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.624 -174.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -73.53 -60.01 2.45 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 92.0 p -83.74 -12.93 55.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.79 0.329 . . . . 0.0 110.359 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 6.8 t30 61.62 69.39 0.65 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.881 -178.367 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 413' ' ' LYS . . . . . 0.601 ' HA ' ' HA ' ' A' ' 392' ' ' ASP . 26.0 pttm -174.79 165.89 3.66 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.235 173.219 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 414' ' ' CYS . . . . . 0.629 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 36.6 t -83.19 117.71 23.1 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.03 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -122.47 154.66 37.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.929 0.395 . . . . 0.0 110.861 -176.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.437 HD13 ' HB3' ' A' ' 383' ' ' LYS . 60.6 tp . . . . . 0 C--N 1.324 -0.53 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 176.46 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 418' ' ' LYS . . . . . 0.489 ' O ' ' HB2' ' A' ' 422' ' ' GLU . 38.8 mtpt . . . . . 0 CA--C 1.516 -0.351 0 CA-C-O 121.042 0.449 . . . . 0.0 110.576 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 419' ' ' ASP . . . . . 0.447 ' O ' ' HE3' ' A' ' 423' ' ' LYS . 21.7 t70 -81.31 -43.34 19.24 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.84 -178.747 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 58.5 t -56.85 -52.78 50.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.965 176.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 56.2 mttm -64.91 -30.63 71.64 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.667 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 422' ' ' GLU . . . . . 0.489 ' HB2' ' O ' ' A' ' 418' ' ' LYS . 6.2 tp10 -64.35 -48.62 74.83 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 120.814 -0.355 . . . . 0.0 110.591 -179.177 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 423' ' ' LYS . . . . . 0.447 ' HE3' ' O ' ' A' ' 419' ' ' ASP . 0.0 OUTLIER -83.25 -22.79 32.97 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.824 0.345 . . . . 0.0 111.639 -178.533 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 8.2 tt -82.51 -63.21 1.42 Allowed 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 178.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.563 -177.087 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 379' ' ' SER . . . . . 0.416 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 62.6 p . . . . . 0 C--O 1.226 -0.163 0 CA-C-O 120.36 0.124 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -53.2 -51.54 61.77 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.828 176.458 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -60.66 -53.6 55.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.843 179.204 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 382' ' ' ASN . . . . . 0.551 ' O ' HG13 ' A' ' 386' ' ' ILE . 11.0 m120 -60.46 -50.8 72.14 Favored 'General case' 0 CA--C 1.509 -0.628 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.348 -176.328 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 383' ' ' LYS . . . . . 0.798 ' HB3' HD13 ' A' ' 416' ' ' LEU . 13.8 mptt -64.66 -41.44 96.1 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.847 -174.738 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -58.83 -46.57 87.37 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.657 173.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 30.9 mmtm -72.88 -18.5 61.42 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.543 -0.753 . . . . 0.0 112.603 -176.444 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 386' ' ' ILE . . . . . 0.551 HG13 ' O ' ' A' ' 382' ' ' ASN . 96.6 mt -72.96 -46.3 52.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 172.624 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 20.2 m -70.26 -40.18 74.55 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.071 177.563 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -69.12 -29.11 67.1 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.669 -178.452 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -62.63 -20.2 64.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.822 0.344 . . . . 0.0 111.306 174.612 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -82.28 -31.1 30.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.085 0.469 . . . . 0.0 109.77 179.49 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 57.1 mttm 60.8 -124.86 0.96 Allowed 'General case' 0 C--O 1.234 0.269 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.559 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -83.92 -16.55 43.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.554 -176.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -72.32 98.58 2.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.849 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 394' ' ' GLN . . . . . 0.507 ' O ' ' HG2' ' A' ' 398' ' ' GLU . 37.4 tt0 -69.98 -41.55 74.28 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.81 -178.8 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 59.6 mmtt -53.64 -49.55 67.66 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 123.197 0.311 . . . . 0.0 111.397 -179.512 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -58.19 -41.76 84.62 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-O 121.394 0.616 . . . . 0.0 110.279 178.42 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 397' ' ' CYS . . . . . 0.417 ' O ' ' HB2' ' A' ' 401' ' ' LYS . 44.0 t -63.08 -49.2 75.42 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.089 -0.959 . . . . 0.0 110.435 177.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 398' ' ' GLU . . . . . 0.507 ' HG2' ' O ' ' A' ' 394' ' ' GLN . 33.8 mm-40 -49.37 -32.49 11.55 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 123.477 0.486 . . . . 0.0 111.757 178.356 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -67.2 -56.04 11.54 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.901 0.381 . . . . 0.0 110.835 176.403 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.456 HD13 HG22 ' A' ' 386' ' ' ILE . 2.9 pp -91.06 12.47 19.75 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.129 0.49 . . . . 0.0 111.772 -175.114 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 401' ' ' LYS . . . . . 0.575 ' HA ' ' HB2' ' A' ' 405' ' ' CYS . 69.5 tttt -68.06 -22.52 64.93 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.79 -171.197 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -66.27 -14.42 61.95 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.324 -176.176 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -81.93 -8.61 59.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.957 0.408 . . . . 0.0 110.791 178.608 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 118.13 48.58 0.39 Allowed Glycine 0 N--CA 1.443 -0.857 0 C-N-CA 120.421 -0.895 . . . . 0.0 113.065 176.69 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 405' ' ' CYS . . . . . 0.575 ' HB2' ' HA ' ' A' ' 401' ' ' LYS . 94.2 m -111.4 145.62 38.61 Favored 'General case' 0 C--N 1.319 -0.737 0 O-C-N 122.542 -0.387 . . . . 0.0 110.468 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 7.6 p -138.84 123.37 21.01 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 174.721 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 407' ' ' PHE . . . . . 0.663 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 16.7 t80 -74.22 113.09 11.02 Favored 'General case' 0 N--CA 1.439 -1.021 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 179.091 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -99.77 109.69 22.11 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.401 -175.201 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 15.6 p -67.93 -17.17 64.38 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.532 -176.568 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -76.43 -21.16 56.3 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.281 -178.52 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 15.3 m -114.29 -7.3 12.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.937 174.689 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 5.2 t30 55.01 59.52 3.99 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.122 -0.945 . . . . 0.0 110.624 -177.09 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 4.3 ptpp? -179.28 166.14 1.48 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.942 176.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 414' ' ' CYS . . . . . 0.663 ' HA ' ' HA ' ' A' ' 407' ' ' PHE . 0.5 OUTLIER -83.72 121.37 27.19 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.175 0.512 . . . . 0.0 111.074 178.261 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -116.34 171.85 7.57 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.988 178.58 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.798 HD13 ' HB3' ' A' ' 383' ' ' LYS . 38.2 tp . . . . . 0 C--N 1.325 -0.458 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.585 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 18.7 ttpp . . . . . 0 C--O 1.222 -0.342 0 CA-C-O 120.758 0.313 . . . . 0.0 110.603 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -65.96 -39.62 90.57 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.59 -177.013 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 50.0 t -59.51 -46.93 92.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.574 179.366 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 22.4 ttpp -70.98 -45.3 64.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.292 0.568 . . . . 0.0 110.526 179.159 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -55.53 -56.02 25.08 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.804 -1.089 . . . . 0.0 111.07 -178.343 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 423' ' ' LYS . . . . . 0.46 ' HB2' ' NZ ' ' A' ' 423' ' ' LYS . 4.8 ttmp? -67.4 -32.68 73.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.859 -177.367 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 55.5 tp -67.29 -45.08 77.62 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.264 179.207 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 . . . . . 0 C--N 1.324 -0.508 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.716 179.726 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 379' ' ' SER . . . . . 0.511 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 16.4 t . . . . . 0 N--CA 1.455 -0.215 0 CA-C-O 120.85 0.357 . . . . 0.0 110.7 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -64.5 -40.79 96.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.961 -178.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.21 -57.61 7.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.867 -176.25 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 382' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -65.9 -37.95 87.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.042 -174.271 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 383' ' ' LYS . . . . . 0.511 ' HB2' ' O ' ' A' ' 379' ' ' SER . 12.9 mptt -64.81 -47.07 79.37 Favored 'General case' 0 CA--C 1.519 -0.22 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.345 179.601 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 384' ' ' GLU . . . . . 0.445 ' OE1' ' HB2' ' A' ' 415' ' ' GLU . 8.2 mm-40 -52.09 -48.83 64.52 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.303 174.783 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.18 -46.26 79.44 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.709 -179.304 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 386' ' ' ILE . . . . . . . . . . . . . 81.7 mt -65.73 -44.27 93.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.342 0.592 . . . . 0.0 110.186 -178.21 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 63.5 m -64.76 -39.04 92.96 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.862 178.171 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -70.33 -21.91 62.86 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.763 -179.504 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -65.84 -19.1 65.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.422 177.212 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -81.99 -24.48 35.42 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.288 0.566 . . . . 0.0 109.503 177.025 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? 57.73 -105.86 0.28 Allowed 'General case' 0 C--O 1.232 0.175 0 CA-C-N 114.819 -1.082 . . . . 0.0 112.107 175.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -104.46 -13.91 15.89 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.779 -1.1 . . . . 0.0 111.128 -172.711 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -85.05 99.26 10.91 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.175 -175.323 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -59.12 -38.19 79.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.173 -177.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 395' ' ' LYS . . . . . 0.425 ' HD3' ' HA ' ' A' ' 395' ' ' LYS . 71.6 mmtt -61.92 -33.45 74.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.787 -0.188 . . . . 0.0 111.405 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 396' ' ' ALA . . . . . 0.461 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -67.76 -42.16 82.21 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.031 0.444 . . . . 0.0 109.934 175.716 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 38.4 t -60.45 -42.79 96.87 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.753 176.348 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -57.57 -37.4 73.08 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.414 177.107 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -65.52 -41.46 93.11 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.436 -178.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 1.5 pp -108.18 16.18 23.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.001 0.429 . . . . 0.0 111.512 -177.675 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 401' ' ' LYS . . . . . 0.601 ' HG2' ' O ' ' A' ' 405' ' ' CYS . 5.4 tmtt? -58.69 -29.62 66.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.223 -176.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -57.16 -36.25 70.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.602 -179.533 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 403' ' ' LYS . . . . . 0.409 ' HD2' ' N ' ' A' ' 403' ' ' LYS . 0.7 OUTLIER -75.99 7.58 3.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.858 -173.02 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 404' ' ' GLY . . . . . 0.464 ' O ' HD12 ' A' ' 416' ' ' LEU . . . 108.9 8.92 27.22 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.838 175.806 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 405' ' ' CYS . . . . . 0.681 ' HB3' ' SG ' ' A' ' 414' ' ' CYS . 71.0 m -87.99 148.29 24.61 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-O 120.91 0.386 . . . . 0.0 110.696 -178.643 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 8.8 p -148.54 134.47 11.89 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 174.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 407' ' ' PHE . . . . . 0.535 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 29.4 t80 -89.18 127.16 35.72 Favored 'General case' 0 N--CA 1.439 -1.021 0 CA-C-O 121.063 0.459 . . . . 0.0 110.343 -178.19 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -100.07 108.81 21.06 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 175.194 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.02 -18.85 62.57 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -177.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -67.62 -66.35 0.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.51 178.692 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 27.0 m -74.81 -18.73 60.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.901 0.382 . . . . 0.0 110.606 177.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 7.3 t30 67.08 74.88 0.32 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.389 178.725 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -176.29 155.28 1.46 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.736 169.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 414' ' ' CYS . . . . . 0.681 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 52.2 t -91.36 132.94 35.86 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 176.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 415' ' ' GLU . . . . . 0.445 ' HB2' ' OE1' ' A' ' 384' ' ' GLU . 11.3 pt-20 -145.31 174.07 11.43 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.634 0.254 . . . . 0.0 110.758 -179.447 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.656 ' HB3' ' HE3' ' A' ' 418' ' ' LYS . 55.0 tp . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.394 179.232 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 418' ' ' LYS . . . . . 0.656 ' HE3' ' HB3' ' A' ' 416' ' ' LEU . 2.6 mptt . . . . . 0 CA--C 1.517 -0.326 0 CA-C-O 121.286 0.565 . . . . 0.0 109.742 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -59.73 -46.47 89.01 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.655 -1.157 . . . . 0.0 111.083 -177.628 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 95.8 t -70.77 -46.57 68.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.196 -178.249 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 19.5 ttpp -64.51 -41.73 96.24 Favored 'General case' 0 CA--C 1.52 -0.197 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.606 -177.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -61.93 -40.97 97.35 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.488 -177.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 40.7 tptt -77.41 -22.2 51.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.976 0.417 . . . . 0.0 111.423 -176.141 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 42.7 tp -92.88 -41.09 10.25 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.879 -177.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 . . . . . 0 C--N 1.325 -0.464 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.355 -177.914 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 379' ' ' SER . . . . . 0.439 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 36.5 m . . . . . 0 CA--C 1.52 -0.186 0 CA-C-O 120.792 0.329 . . . . 0.0 110.404 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -69.26 -37.2 77.81 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.778 0.323 . . . . 0.0 110.304 178.193 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -53.03 -60.15 3.64 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.624 -179.229 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 382' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -74.54 -34.29 62.95 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.135 -175.112 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 383' ' ' LYS . . . . . 0.63 ' HB3' HD13 ' A' ' 416' ' ' LEU . 5.7 mptp? -61.67 -54.31 44.44 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.151 178.562 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -54.16 -44.25 71.29 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.03 0.443 . . . . 0.0 110.608 176.737 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.26 -52.88 63.74 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.025 -179.661 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 386' ' ' ILE . . . . . . . . . . . . . 81.6 mt -67.31 -41.96 87.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.309 -175.711 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 387' ' ' CYS . . . . . 0.475 ' O ' ' HB3' ' A' ' 414' ' ' CYS . 74.0 m -62.32 -43.54 98.6 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.582 176.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -76.98 -20.04 56.58 Favored 'General case' 0 N--CA 1.463 0.225 0 C-N-CA 120.935 -0.306 . . . . 0.0 111.017 -176.721 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -68.55 -17.02 64.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.922 0.391 . . . . 0.0 111.051 177.347 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 390' ' ' ALA . . . . . 0.485 ' HB2' HD21 ' A' ' 400' ' ' LEU . . . -82.68 -24.81 33.53 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 177.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp 56.76 -145.58 0.6 Allowed 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.238 -0.892 . . . . 0.0 112.549 176.626 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -74.7 -7.66 53.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.291 -175.525 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 45.9 t-20 -78.28 103.01 7.95 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -68.24 -37.71 81.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.087 -176.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -55.94 -52.14 65.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.013 0.435 . . . . 0.0 110.169 178.183 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 396' ' ' ALA . . . . . 0.41 ' O ' ' HB2' ' A' ' 399' ' ' ASN . . . -61.21 -35.71 77.93 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.904 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 397' ' ' CYS . . . . . 0.402 ' HB2' ' HB2' ' A' ' 414' ' ' CYS . 52.7 t -61.49 -50.01 74.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.261 176.264 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 398' ' ' GLU . . . . . 0.507 ' HA ' ' HB2' ' A' ' 401' ' ' LYS . 12.8 mm-40 -62.32 -22.23 65.9 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.395 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 399' ' ' ASN . . . . . 0.41 ' HB2' ' O ' ' A' ' 396' ' ' ALA . 20.4 m-80 -68.2 -52.96 28.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.044 0.45 . . . . 0.0 110.459 175.152 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.485 HD21 ' HB2' ' A' ' 390' ' ' ALA . 2.0 pp -91.64 11.5 24.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.373 0.606 . . . . 0.0 110.796 -179.346 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 401' ' ' LYS . . . . . 0.507 ' HB2' ' HA ' ' A' ' 398' ' ' GLU . 4.2 tmtp? -54.57 -35.12 62.97 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.534 -178.612 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -66.77 -10.34 46.33 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.319 -177.115 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -95.28 15.77 18.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.919 0.39 . . . . 0.0 111.137 -179.036 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 91.6 22.04 32.55 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.766 174.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 405' ' ' CYS . . . . . 0.454 ' HB3' ' SG ' ' A' ' 414' ' ' CYS . 71.5 m -104.41 131.06 52.2 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.814 0.34 . . . . 0.0 110.404 179.774 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 79.6 t -128.98 115.8 38.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.328 -0.396 . . . . 0.0 109.956 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 407' ' ' PHE . . . . . 0.746 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 25.9 t80 -58.36 121.15 10.12 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.464 178.785 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 35.6 t30 -107.29 112.05 24.72 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.419 -179.126 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 7.8 p -70.47 -11.79 61.15 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.618 -175.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -72.43 -43.37 63.9 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.074 0.464 . . . . 0.0 110.387 176.466 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 9.4 p -91.72 -10.05 41.53 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.122 0.487 . . . . 0.0 109.978 175.578 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 4.9 t30 66.57 23.65 10.34 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.726 177.11 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -142.43 164.53 29.88 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.493 179.198 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 414' ' ' CYS . . . . . 0.746 ' HA ' ' HA ' ' A' ' 407' ' ' PHE . 17.5 t -67.95 115.1 7.08 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 174.315 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 415' ' ' GLU . . . . . 0.514 ' OE1' ' HG2' ' A' ' 421' ' ' LYS . 21.5 tt0 -113.26 160.76 17.97 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 -174.185 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.63 HD13 ' HB3' ' A' ' 383' ' ' LYS . 35.1 tp . . . . . 0 C--N 1.324 -0.528 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 172.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 418' ' ' LYS . . . . . 0.643 ' O ' ' HG2' ' A' ' 422' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.223 -0.314 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -49.27 -63.92 0.96 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.928 -177.38 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 90.4 t -71.98 -32.04 42.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.735 -178.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 421' ' ' LYS . . . . . 0.514 ' HG2' ' OE1' ' A' ' 415' ' ' GLU . 19.3 tptp -60.83 -48.4 81.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.002 -178.611 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 422' ' ' GLU . . . . . 0.643 ' HG2' ' O ' ' A' ' 418' ' ' LYS . 14.7 mm-40 -64.5 -44.88 89.52 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.006 178.716 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -62.96 -15.52 56.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.498 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 58.8 tp -87.63 -52.08 5.53 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.923 178.39 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 . . . . . 0 CA--C 1.535 0.389 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -172.328 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 379' ' ' SER . . . . . 0.491 ' O ' ' HD3' ' A' ' 383' ' ' LYS . 33.1 t . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.159 -0.311 . . . . 0.0 110.159 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -65.78 -39.58 91.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.888 -179.409 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -59.42 -55.51 33.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.776 -175.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 382' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.83 -35.19 76.67 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.835 -174.278 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 383' ' ' LYS . . . . . 0.491 ' HD3' ' O ' ' A' ' 379' ' ' SER . 6.1 mptp? -61.22 -53.63 54.46 Favored 'General case' 0 CA--C 1.521 -0.154 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 176.629 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -56.79 -42.37 79.35 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.949 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -60.6 -47.51 85.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.154 -179.022 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 386' ' ' ILE . . . . . 0.708 HD13 ' HD3' ' A' ' 403' ' ' LYS . 93.1 mt -64.51 -42.6 95.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.061 -177.567 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 61.4 m -62.65 -44.22 96.82 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.754 176.632 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.47 -17.77 61.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.279 -175.683 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -68.69 -13.64 62.5 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.876 0.37 . . . . 0.0 111.4 176.67 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -88.11 -18.45 28.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.12 0.486 . . . . 0.0 109.986 176.676 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 92.6 mttt 54.61 -106.23 0.31 Allowed 'General case' 0 C--O 1.235 0.305 0 CA-C-N 114.802 -1.09 . . . . 0.0 112.613 175.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -107.53 -4.64 18.18 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.182 -173.581 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -90.73 105.82 18.09 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.3 0.571 . . . . 0.0 110.852 -176.652 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 394' ' ' GLN . . . . . 0.42 ' HA ' ' CD2' ' A' ' 407' ' ' PHE . 64.9 tt0 -61.25 -41.82 97.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.208 -179.038 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -58.11 -47.56 82.89 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.51 -177.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 396' ' ' ALA . . . . . 0.412 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -64.45 -37.27 86.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.976 178.588 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 397' ' ' CYS . . . . . 0.484 ' SG ' ' HB2' ' A' ' 407' ' ' PHE . 41.9 t -61.16 -52.67 63.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.646 178.55 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 398' ' ' GLU . . . . . 0.444 ' HA ' ' HB2' ' A' ' 401' ' ' LYS . 63.2 mm-40 -60.76 -24.22 65.58 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.262 -178.703 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -66.84 -59.33 3.63 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.948 0.404 . . . . 0.0 110.607 174.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 2.1 pp -84.17 7.6 18.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.211 0.529 . . . . 0.0 111.311 -176.579 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 401' ' ' LYS . . . . . 0.54 ' HA ' ' HB2' ' A' ' 405' ' ' CYS . 83.1 tttt -61.4 -20.56 63.19 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.257 -0.883 . . . . 0.0 111.225 -178.682 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -59.76 -20.5 57.03 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.059 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 403' ' ' LYS . . . . . 0.708 ' HD3' HD13 ' A' ' 386' ' ' ILE . 99.7 mttt -89.63 5.24 46.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.361 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 99.84 55.41 1.0 Allowed Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.889 -0.672 . . . . 0.0 113.053 176.009 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 405' ' ' CYS . . . . . 0.54 ' HB2' ' HA ' ' A' ' 401' ' ' LYS . 79.6 m -124.65 172.2 9.46 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.837 0.351 . . . . 0.0 110.727 -179.349 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 7.4 p -158.67 125.75 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.058 173.361 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 407' ' ' PHE . . . . . 0.492 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 26.3 t80 -86.75 118.91 26.46 Favored 'General case' 0 N--CA 1.437 -1.103 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 174.545 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -99.68 110.63 23.03 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 1.3 p -66.56 -30.93 71.35 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 111.763 0.283 . . . . 0.0 111.763 -175.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 21.7 tp10 -58.65 -49.44 77.54 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.081 0.467 . . . . 0.0 110.662 176.252 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 10.4 m -81.54 -21.35 38.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.301 179.102 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 57.2 t30 59.44 61.47 2.01 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.524 -177.208 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 23.3 pttp -168.88 154.18 6.18 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.347 175.483 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 414' ' ' CYS . . . . . 0.492 ' HA ' ' HA ' ' A' ' 407' ' ' PHE . 41.9 t -92.75 117.74 30.32 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 176.159 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -130.27 158.33 40.07 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.714 -173.111 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.485 HD13 ' HB3' ' A' ' 383' ' ' LYS . 39.3 tp . . . . . 0 C--N 1.323 -0.551 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 170.156 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 418' ' ' LYS . . . . . 0.434 ' O ' ' HB2' ' A' ' 422' ' ' GLU . 3.7 ptmm? . . . . . 0 CA--C 1.518 -0.269 0 CA-C-O 120.95 0.405 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 419' ' ' ASP . . . . . 0.612 ' O ' ' HE3' ' A' ' 423' ' ' LYS . 14.4 p-10 -86.28 -36.23 19.46 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.695 -177.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 420' ' ' VAL . . . . . 0.446 ' O ' ' HB2' ' A' ' 424' ' ' LEU . 58.8 t -61.08 -43.63 96.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 172.518 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt -69.79 -32.56 71.11 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.641 178.234 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 422' ' ' GLU . . . . . 0.434 ' HB2' ' O ' ' A' ' 418' ' ' LYS . 32.7 tt0 -62.92 -49.46 74.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.993 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 423' ' ' LYS . . . . . 0.612 ' HE3' ' O ' ' A' ' 419' ' ' ASP . 0.0 OUTLIER -82.84 -2.03 53.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.934 177.769 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 424' ' ' LEU . . . . . 0.446 ' HB2' ' O ' ' A' ' 420' ' ' VAL . 9.2 tt -86.57 -48.81 8.03 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 174.248 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.104 176.957 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 379' ' ' SER . . . . . 0.498 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 16.4 m . . . . . 0 N--CA 1.452 -0.356 0 CA-C-O 120.889 0.376 . . . . 0.0 110.645 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -71.4 -40.96 70.17 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.466 178.17 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -65.13 -50.05 67.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.452 -176.555 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 382' ' ' ASN . . . . . 0.504 ' O ' HG13 ' A' ' 386' ' ' ILE . 0.6 OUTLIER -68.79 -33.85 74.57 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 121.004 -0.278 . . . . 0.0 110.514 -177.133 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 383' ' ' LYS . . . . . 0.61 ' HB3' HD22 ' A' ' 416' ' ' LEU . 13.0 mptt -68.56 -43.02 77.5 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 178.115 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 384' ' ' GLU . . . . . 0.48 ' HA ' ' HB2' ' A' ' 416' ' ' LEU . 25.5 tt0 -64.0 -38.95 92.95 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.77 177.527 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 58.6 tptt -59.39 -33.52 71.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.789 0.328 . . . . 0.0 110.653 176.799 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 386' ' ' ILE . . . . . 0.504 HG13 ' O ' ' A' ' 382' ' ' ASN . 83.2 mt -62.73 -44.96 99.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.458 0.647 . . . . 0.0 109.34 176.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 30.8 m -71.08 -38.46 72.42 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.803 -1.089 . . . . 0.0 111.127 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -67.93 -23.73 65.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.703 0.287 . . . . 0.0 110.945 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -72.78 -1.78 17.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.023 0.44 . . . . 0.0 111.096 176.234 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -101.92 3.86 39.5 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 176.352 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 391' ' ' LYS . . . . . 0.516 ' HG3' ' H ' ' A' ' 393' ' ' ASN . 4.5 ptpp? 44.15 -151.86 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 114.871 -1.058 . . . . 0.0 113.079 177.119 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 392' ' ' ASP . . . . . 0.653 ' HA ' ' HA ' ' A' ' 413' ' ' LYS . 5.2 p-10 -85.76 6.09 29.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.146 0.498 . . . . 0.0 110.097 178.344 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 393' ' ' ASN . . . . . 0.516 ' H ' ' HG3' ' A' ' 391' ' ' LYS . 19.1 t-20 -80.51 110.23 15.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.862 178.197 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -68.63 -34.06 75.09 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.634 -174.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -58.76 -45.32 90.01 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 177.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 396' ' ' ALA . . . . . 0.453 ' HA ' ' ND2' ' A' ' 399' ' ' ASN . . . -60.04 -44.68 94.5 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.298 176.422 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 9.5 t -59.55 -42.09 91.61 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.194 178.393 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 398' ' ' GLU . . . . . 0.739 ' HA ' ' HB2' ' A' ' 401' ' ' LYS . 49.3 mm-40 -61.76 -30.82 71.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.131 177.573 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 399' ' ' ASN . . . . . 0.453 ' ND2' ' HA ' ' A' ' 396' ' ' ALA . 89.9 m-20 -63.68 -37.13 86.17 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.033 0.444 . . . . 0.0 110.685 178.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.516 HD12 ' SG ' ' A' ' 405' ' ' CYS . 0.2 OUTLIER -114.44 21.58 14.46 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.344 0.592 . . . . 0.0 111.367 178.497 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 401' ' ' LYS . . . . . 0.739 ' HB2' ' HA ' ' A' ' 398' ' ' GLU . 20.9 tptm -58.51 -47.65 83.44 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.252 -0.886 . . . . 0.0 111.367 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.51 1.25 17.16 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.462 -175.497 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -97.97 6.21 47.95 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.753 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 113.56 -2.23 24.84 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.683 175.659 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 405' ' ' CYS . . . . . 0.516 ' SG ' HD12 ' A' ' 400' ' ' LEU . 66.7 m -94.34 140.87 29.24 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.853 0.358 . . . . 0.0 111.064 -177.286 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 8.1 p -132.98 149.37 31.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 178.079 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 407' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -81.83 133.93 35.37 Favored 'General case' 0 N--CA 1.441 -0.916 0 C-N-CA 120.379 -0.528 . . . . 0.0 110.277 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -98.68 107.18 19.56 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.191 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 14.6 p -82.56 -8.11 59.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.927 0.394 . . . . 0.0 111.561 -177.703 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -87.62 -51.09 6.09 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.895 -177.755 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 5.7 m -92.92 -16.02 25.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.745 179.389 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 12.1 t30 67.74 82.04 0.18 Allowed 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.014 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 413' ' ' LYS . . . . . 0.653 ' HA ' ' HA ' ' A' ' 392' ' ' ASP . 22.5 pttp 177.69 162.1 0.55 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.256 177.617 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 414' ' ' CYS . . . . . . . . . . . . . 40.3 t -83.1 132.18 35.11 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 172.539 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 62.2 tt0 -139.49 148.36 42.58 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.59 -173.068 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.61 HD22 ' HB3' ' A' ' 383' ' ' LYS . 25.7 tp . . . . . 0 C--N 1.322 -0.626 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 173.104 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 418' ' ' LYS . . . . . 0.525 ' O ' ' HB2' ' A' ' 422' ' ' GLU . 7.3 ptpt . . . . . 0 N--CA 1.451 -0.405 0 CA-C-O 120.605 0.24 . . . . 0.0 111.08 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -70.52 -43.17 70.18 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.495 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 58.5 t -69.94 -43.06 79.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.699 177.451 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -58.51 -42.61 88.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.299 177.347 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 422' ' ' GLU . . . . . 0.525 ' HB2' ' O ' ' A' ' 418' ' ' LYS . 4.0 tp10 -66.7 -34.64 78.31 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.85 -174.808 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 32.8 mtmm -71.16 -32.21 68.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.922 0.392 . . . . 0.0 111.032 179.354 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 95.3 mt -75.6 -42.93 50.56 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.097 0.475 . . . . 0.0 110.224 178.293 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 . . . . . 0 C--N 1.325 -0.488 0 CA-C-N 115.415 -0.812 . . . . 0.0 111.913 -179.081 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 379' ' ' SER . . . . . 0.424 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 18.2 m . . . . . 0 N--CA 1.456 -0.168 0 CA-C-O 120.937 0.398 . . . . 0.0 110.47 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -67.24 -44.3 79.79 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.321 178.721 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -59.24 -53.09 62.25 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.197 -173.717 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 382' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -80.65 -30.9 36.59 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.739 -0.385 . . . . 0.0 111.352 -172.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 383' ' ' LYS . . . . . 0.683 ' HB3' HD13 ' A' ' 416' ' ' LEU . 6.5 mptp? -68.84 -38.19 79.66 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 175.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 384' ' ' GLU . . . . . 0.407 ' HA ' ' HB2' ' A' ' 416' ' ' LEU . 40.0 tt0 -57.25 -42.44 81.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.267 -0.878 . . . . 0.0 109.908 173.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -60.74 -35.49 76.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.932 178.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 386' ' ' ILE . . . . . . . . . . . . . 83.6 mt -65.32 -45.0 94.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.331 0.586 . . . . 0.0 109.596 178.434 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 31.7 m -66.61 -37.91 85.86 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.316 177.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -66.64 -25.88 66.79 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.734 178.735 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -68.07 -19.47 64.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.233 176.578 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -89.8 -25.45 21.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.115 178.494 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt 57.77 -132.86 1.24 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.702 176.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 392' ' ' ASP . . . . . 0.563 ' HA ' ' HA ' ' A' ' 413' ' ' LYS . 6.8 m-20 -89.73 13.11 15.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.044 -176.262 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -94.24 106.13 18.11 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.007 0.432 . . . . 0.0 110.254 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -67.91 -37.74 82.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.235 -176.063 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 395' ' ' LYS . . . . . 0.958 ' HE2' ' HA ' ' A' ' 395' ' ' LYS . 6.7 mmpt? -54.69 -47.84 73.17 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 123.138 0.273 . . . . 0.0 111.057 177.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 396' ' ' ALA . . . . . 0.617 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -61.7 -42.31 98.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.839 0.352 . . . . 0.0 110.474 177.321 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 397' ' ' CYS . . . . . 0.48 ' HA ' HD11 ' A' ' 400' ' ' LEU . 25.9 t -60.55 -46.42 90.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.432 178.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -56.34 -35.81 68.04 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.978 177.213 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -70.8 -38.47 73.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.228 -179.081 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.617 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 1.3 pp -105.25 20.88 18.12 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.95 0.405 . . . . 0.0 111.43 -179.274 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -52.14 -38.46 57.62 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.759 173.551 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -62.57 -18.09 61.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.774 -179.399 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 403' ' ' LYS . . . . . 0.54 ' HD2' ' HB2' ' A' ' 400' ' ' LEU . 93.9 mttt -90.35 6.03 44.84 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.967 0.413 . . . . 0.0 110.805 -177.364 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 94.45 13.92 52.32 Favored Glycine 0 C--N 1.33 0.234 0 C-N-CA 120.936 -0.65 . . . . 0.0 113.133 174.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 405' ' ' CYS . . . . . 0.673 ' HB3' ' SG ' ' A' ' 414' ' ' CYS . 82.5 m -91.53 131.87 36.66 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.883 0.373 . . . . 0.0 110.857 -179.151 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 7.6 p -121.92 135.64 61.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.521 178.247 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 407' ' ' PHE . . . . . 0.403 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 22.9 t80 -90.46 126.93 36.06 Favored 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 177.714 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 408' ' ' ASN . . . . . 0.489 ' HB3' ' HB2' ' A' ' 411' ' ' SER . 4.5 t-20 -107.1 133.07 52.26 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 177.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 7.7 p -73.3 -28.16 61.95 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.564 0.221 . . . . 0.0 111.428 -179.185 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -76.12 -49.97 15.92 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 178.069 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 411' ' ' SER . . . . . 0.489 ' HB2' ' HB3' ' A' ' 408' ' ' ASN . 49.3 m -62.38 -29.31 70.38 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.435 173.222 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 7.4 t30 71.72 9.44 6.27 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.188 178.393 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 413' ' ' LYS . . . . . 0.563 ' HA ' ' HA ' ' A' ' 392' ' ' ASP . 1.0 OUTLIER -139.4 170.82 15.24 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.501 -176.141 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 414' ' ' CYS . . . . . 0.673 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 42.6 t -94.74 124.55 38.85 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.922 177.03 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -132.51 166.97 20.84 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 178.637 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.683 HD13 ' HB3' ' A' ' 383' ' ' LYS . 44.6 tp . . . . . 0 C--N 1.321 -0.64 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 -178.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 21.6 pttp . . . . . 0 N--CA 1.454 -0.238 0 CA-C-O 121.31 0.576 . . . . 0.0 110.129 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -82.6 -28.99 30.47 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.119 179.501 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 76.4 t -67.43 -46.82 82.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 173.627 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 18.7 ttmm -62.32 -38.57 89.93 Favored 'General case' 0 C--O 1.22 -0.48 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.377 173.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -59.82 -36.18 76.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 120.972 0.415 . . . . 0.0 110.38 179.589 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -91.62 -7.84 48.93 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.22 -178.82 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -99.8 -45.27 5.79 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.223 0.535 . . . . 0.0 109.742 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 . . . . . 0 C--N 1.324 -0.519 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.397 -179.336 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 379' ' ' SER . . . . . 0.621 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 4.3 m . . . . . 0 CA--C 1.531 0.232 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -49.85 -50.02 47.0 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -176.624 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -74.34 -52.01 13.45 Favored 'General case' 0 CA--C 1.517 -0.324 0 C-N-CA 120.172 -0.611 . . . . 0.0 110.437 -172.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 382' ' ' ASN . . . . . 0.533 ' HA ' ' HB3' ' A' ' 385' ' ' LYS . 0.4 OUTLIER -67.22 -25.28 66.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.827 -175.13 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 383' ' ' LYS . . . . . 0.731 ' HB3' HD22 ' A' ' 416' ' ' LEU . 3.2 tptm -67.26 -50.76 59.28 Favored 'General case' 0 CA--C 1.509 -0.633 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 179.092 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -64.59 -36.24 83.58 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.934 176.362 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 385' ' ' LYS . . . . . 0.533 ' HB3' ' HA ' ' A' ' 382' ' ' ASN . 56.8 tptt -61.8 -37.88 86.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.907 177.456 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 386' ' ' ILE . . . . . 0.408 HG13 ' O ' ' A' ' 382' ' ' ASN . 39.1 mt -66.64 -42.39 89.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.22 0.533 . . . . 0.0 109.94 179.109 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 27.8 m -64.44 -40.18 95.24 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.845 174.385 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -71.99 -15.26 62.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.357 179.442 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -72.82 -20.15 61.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.965 0.412 . . . . 0.0 110.412 174.61 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 390' ' ' ALA . . . . . 0.7 ' HB2' HD21 ' A' ' 400' ' ' LEU . . . -86.38 -16.29 37.76 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 175.45 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 94.9 mttt 58.31 -128.51 1.45 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 114.603 -1.18 . . . . 0.0 111.416 174.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -98.74 15.79 24.22 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.822 0.344 . . . . 0.0 111.163 -175.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -90.43 109.63 20.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.272 0.558 . . . . 0.0 110.342 176.2 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 394' ' ' GLN . . . . . 0.567 ' HA ' ' CD1' ' A' ' 407' ' ' PHE . 23.6 tt0 -63.77 -45.04 91.55 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.414 -176.656 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 395' ' ' LYS . . . . . 0.405 ' HD3' ' HA ' ' A' ' 395' ' ' LYS . 13.3 tppt? -69.82 -36.74 75.87 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.293 -175.556 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 396' ' ' ALA . . . . . 0.432 ' HA ' ' ND2' ' A' ' 399' ' ' ASN . . . -64.76 -35.02 79.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.243 0.544 . . . . 0.0 110.236 176.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 37.7 t -61.73 -45.92 91.86 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.141 177.359 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -62.53 -27.63 69.29 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.204 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 399' ' ' ASN . . . . . 0.432 ' ND2' ' HA ' ' A' ' 396' ' ' ALA . 82.5 m-20 -66.57 -45.4 79.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.988 0.423 . . . . 0.0 110.511 177.36 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.7 HD21 ' HB2' ' A' ' 390' ' ' ALA . 1.9 pp -102.09 16.38 26.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.726 -177.395 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 401' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' A' ' 405' ' ' CYS . 82.1 tttt -57.59 -17.74 15.92 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.712 177.558 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -55.89 -22.9 28.18 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.843 178.507 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 403' ' ' LYS . . . . . 0.461 ' HD2' ' N ' ' A' ' 403' ' ' LYS . 0.5 OUTLIER -90.93 2.53 56.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.759 0.314 . . . . 0.0 110.913 -179.704 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 404' ' ' GLY . . . . . 0.409 ' O ' HD12 ' A' ' 416' ' ' LEU . . . 99.7 24.93 9.54 Favored Glycine 0 C--O 1.236 0.243 0 N-CA-C 111.565 -0.614 . . . . 0.0 111.565 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 405' ' ' CYS . . . . . 0.552 ' HB3' ' SG ' ' A' ' 414' ' ' CYS . 80.0 m -98.72 118.87 36.44 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.028 0.442 . . . . 0.0 111.021 -170.778 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 406' ' ' VAL . . . . . 0.634 ' HB ' ' HB2' ' A' ' 418' ' ' LYS . 10.0 p -126.34 143.11 40.94 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 177.308 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 407' ' ' PHE . . . . . 0.567 ' CD1' ' HA ' ' A' ' 394' ' ' GLN . 22.7 t80 -68.09 123.79 21.65 Favored 'General case' 0 N--CA 1.439 -1.018 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.405 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -98.94 97.43 8.6 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.608 -0.723 . . . . 0.0 109.234 -177.106 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 1.2 p -61.45 -23.5 65.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.761 -176.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -55.06 -44.41 74.73 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.971 177.11 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 22.6 t -112.8 -6.9 13.81 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.826 -177.022 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 7.1 t30 61.01 58.24 2.33 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.66 -177.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 25.7 pttm -163.16 159.59 23.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.873 174.386 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 414' ' ' CYS . . . . . 0.552 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 51.9 t -79.54 127.05 31.66 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.519 0.2 . . . . 0.0 110.472 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -138.96 159.23 42.64 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 121.173 0.511 . . . . 0.0 111.32 -177.577 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.731 HD22 ' HB3' ' A' ' 383' ' ' LYS . 35.8 tp . . . . . 0 C--N 1.326 -0.431 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 174.337 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 418' ' ' LYS . . . . . 0.634 ' HB2' ' HB ' ' A' ' 406' ' ' VAL . 12.2 tmtt? . . . . . 0 N--CA 1.451 -0.409 0 CA-C-O 121.453 0.644 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -91.85 -48.53 6.73 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.664 -170.025 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 31.6 t -67.1 -37.71 79.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.311 179.141 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -67.59 -47.96 68.23 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.968 -178.002 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -62.66 -34.92 78.09 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.912 -177.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -62.66 -43.74 98.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.196 0.522 . . . . 0.0 110.417 179.347 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 54.4 tp -79.34 -26.72 42.09 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.421 179.601 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 . . . . . 0 C--N 1.326 -0.427 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.666 176.244 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 15.1 t . . . . . 0 CA--C 1.528 0.114 0 CA-C-O 120.628 0.251 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -69.08 -44.18 73.05 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.013 0.435 . . . . 0.0 111.335 -177.213 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -80.81 -31.67 35.53 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.183 -0.462 . . . . 0.0 112.219 -173.434 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 382' ' ' ASN . . . . . 0.405 ' O ' HG13 ' A' ' 386' ' ' ILE . 0.2 OUTLIER -75.29 -24.83 57.58 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.377 -0.529 . . . . 0.0 109.603 177.391 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 383' ' ' LYS . . . . . 0.494 ' HB3' HD22 ' A' ' 416' ' ' LEU . 0.1 OUTLIER -64.63 -48.41 74.96 Favored 'General case' 0 CA--C 1.514 -0.416 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 175.6 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -52.56 -49.96 63.9 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.292 174.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -56.64 -43.81 80.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.157 -179.588 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 386' ' ' ILE . . . . . 0.449 HG22 HD13 ' A' ' 400' ' ' LEU . 68.3 mt -67.49 -45.79 84.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.117 0.484 . . . . 0.0 110.122 -179.664 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 72.9 m -62.64 -37.49 86.57 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.134 179.167 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -80.08 -24.4 40.64 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.634 -178.504 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -73.39 -8.82 57.48 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.996 0.427 . . . . 0.0 110.856 175.076 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 390' ' ' ALA . . . . . 0.493 ' HB2' HD12 ' A' ' 400' ' ' LEU . . . -86.25 -20.98 27.67 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 177.123 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp 61.57 -151.94 0.38 Allowed 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.565 173.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -88.86 10.32 21.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.425 0.631 . . . . 0.0 109.89 176.598 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -84.22 97.65 9.51 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 177.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 394' ' ' GLN . . . . . 0.462 ' O ' ' HG2' ' A' ' 398' ' ' GLU . 50.0 tt0 -57.39 -40.38 78.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.629 -174.537 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -49.96 -49.78 49.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.829 0.347 . . . . 0.0 111.074 178.119 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -64.02 -39.78 94.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.966 0.412 . . . . 0.0 110.589 179.513 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 18.7 t -63.82 -43.08 97.3 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.397 179.266 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 398' ' ' GLU . . . . . 0.462 ' HG2' ' O ' ' A' ' 394' ' ' GLN . 17.0 mm-40 -58.28 -34.14 70.2 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.028 178.092 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 18.8 m-80 -71.0 -34.05 71.0 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.172 178.327 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.493 HD12 ' HB2' ' A' ' 390' ' ' ALA . 30.2 mt -103.65 10.73 36.71 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.627 -177.03 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 401' ' ' LYS . . . . . 0.544 ' HA ' ' O ' ' A' ' 405' ' ' CYS . 16.7 tptm -50.12 -53.96 23.87 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.952 -1.022 . . . . 0.0 112.35 -175.304 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -80.72 10.47 4.86 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.953 0.406 . . . . 0.0 112.03 -173.659 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 61.2 mttm -92.32 -5.88 51.36 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.224 0.535 . . . . 0.0 109.592 171.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 404' ' ' GLY . . . . . 0.549 ' HA2' ' HB3' ' A' ' 418' ' ' LYS . . . 115.24 -5.93 21.51 Favored Glycine 0 N--CA 1.445 -0.754 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 -178.388 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 405' ' ' CYS . . . . . 0.567 ' HB3' ' SG ' ' A' ' 414' ' ' CYS . 56.8 m -82.8 111.71 18.96 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.122 -0.539 . . . . 0.0 110.316 -178.178 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 7.2 p -122.2 134.15 66.32 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.696 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 407' ' ' PHE . . . . . 0.402 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 11.9 t80 -72.74 123.36 23.15 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.114 -179.641 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 408' ' ' ASN . . . . . 0.411 ' OD1' ' HG2' ' A' ' 410' ' ' GLU . 46.6 t30 -104.39 112.59 25.69 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.653 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 11.4 p -70.26 -22.4 62.88 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.526 -176.524 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 410' ' ' GLU . . . . . 0.411 ' HG2' ' OD1' ' A' ' 408' ' ' ASN . 5.1 mm-40 -69.26 -36.94 77.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.949 -175.584 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 23.2 m -110.72 1.56 17.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.846 179.45 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 10.6 t30 50.04 73.7 0.25 Allowed 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.231 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -173.86 165.39 4.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.695 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 414' ' ' CYS . . . . . 0.567 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 37.9 t -90.92 131.14 36.72 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 170.315 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -138.44 150.81 46.86 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.714 0.292 . . . . 0.0 110.495 -175.301 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.494 HD22 ' HB3' ' A' ' 383' ' ' LYS . 50.4 tp . . . . . 0 C--N 1.327 -0.392 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 173.326 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 418' ' ' LYS . . . . . 0.55 ' HE2' ' O ' ' A' ' 418' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.226 -0.157 0 CA-C-O 121.657 0.741 . . . . 0.0 109.94 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -81.08 -40.62 23.84 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 115.241 -0.891 . . . . 0.0 109.99 -177.52 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 54.7 t -61.33 -47.44 93.44 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.115 177.316 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 421' ' ' LYS . . . . . 0.618 ' O ' ' HG2' ' A' ' 425' ' ' GLU . 60.0 tttm -60.64 -42.62 97.3 Favored 'General case' 0 C--O 1.208 -1.102 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.672 177.216 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -54.29 -43.07 70.75 Favored 'General case' 0 C--O 1.244 0.79 0 O-C-N 123.642 0.589 . . . . 0.0 110.921 -179.54 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 50.4 mmtm -56.69 -42.84 79.8 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.429 177.578 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 48.3 tp -81.29 -30.57 33.93 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.402 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 425' ' ' GLU . . . . . 0.618 ' HG2' ' O ' ' A' ' 421' ' ' LYS . 13.9 mm-40 . . . . . 0 C--O 1.234 0.28 0 C-N-CA 123.182 0.593 . . . . 0.0 110.94 -179.099 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 379' ' ' SER . . . . . 0.672 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 24.6 m . . . . . 0 N--CA 1.449 -0.521 0 N-CA-C 111.526 0.195 . . . . 0.0 111.526 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -73.41 -41.37 63.38 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.958 0.408 . . . . 0.0 111.572 -176.556 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -73.11 -46.77 49.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.058 -175.261 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 382' ' ' ASN . . . . . 0.549 ' O ' HG13 ' A' ' 386' ' ' ILE . 0.2 OUTLIER -68.95 -27.12 65.44 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.284 179.871 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 383' ' ' LYS . . . . . 0.672 ' HB2' ' O ' ' A' ' 379' ' ' SER . 2.2 tptm -66.63 -47.92 71.06 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 179.763 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -56.89 -37.34 71.26 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.215 175.372 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 23.9 tptp -70.99 -32.73 69.65 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.841 -179.165 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 386' ' ' ILE . . . . . 0.549 HG13 ' O ' ' A' ' 382' ' ' ASN . 79.0 mt -62.08 -42.29 94.45 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.285 0 CA-C-O 121.504 0.668 . . . . 0.0 109.252 176.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 14.6 m -69.46 -43.41 73.32 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 114.833 -1.076 . . . . 0.0 110.189 178.23 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -70.79 -14.52 62.45 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.489 -178.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -69.34 -22.97 63.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.911 0.386 . . . . 0.0 110.513 173.19 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 390' ' ' ALA . . . . . 0.694 ' HB2' HD21 ' A' ' 400' ' ' LEU . . . -87.76 -13.63 41.83 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 175.639 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? 63.68 -97.01 0.06 Allowed 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 114.397 -1.274 . . . . 0.0 111.983 173.557 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -137.12 21.86 3.01 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.205 0.526 . . . . 0.0 110.102 -177.673 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -88.43 104.45 16.8 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.996 174.517 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 394' ' ' GLN . . . . . 0.516 ' O ' ' HG2' ' A' ' 398' ' ' GLU . 35.0 tt0 -57.88 -46.46 84.85 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.265 -179.389 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -61.45 -44.76 96.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.794 -176.513 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 396' ' ' ALA . . . . . 0.577 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -65.99 -36.83 84.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.52 178.626 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 26.5 t -65.43 -44.83 86.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.607 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 398' ' ' GLU . . . . . 0.516 ' HG2' ' O ' ' A' ' 394' ' ' GLN . 30.4 mm-40 -53.94 -39.23 65.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.643 176.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -64.49 -52.6 57.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.464 179.504 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.694 HD21 ' HB2' ' A' ' 390' ' ' ALA . 2.1 pp -90.85 14.54 13.37 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.804 0.335 . . . . 0.0 111.842 -175.574 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 401' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' A' ' 405' ' ' CYS . 38.9 ttmt -62.47 -19.68 63.78 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.273 0.559 . . . . 0.0 110.486 176.083 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -56.07 -26.24 48.51 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.86 176.779 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 403' ' ' LYS . . . . . 0.49 ' HD2' ' N ' ' A' ' 403' ' ' LYS . 0.1 OUTLIER -90.5 8.86 31.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.533 -178.462 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 404' ' ' GLY . . . . . 0.448 ' O ' HD12 ' A' ' 416' ' ' LEU . . . 89.79 36.34 7.35 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 121.133 -0.556 . . . . 0.0 112.143 178.484 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 405' ' ' CYS . . . . . 0.422 ' O ' ' HG3' ' A' ' 401' ' ' LYS . 91.7 m -115.76 111.1 20.04 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.052 0.453 . . . . 0.0 110.765 -174.312 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 14.6 p -110.35 142.36 23.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 -179.104 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 407' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -71.79 117.4 13.33 Favored 'General case' 0 N--CA 1.436 -1.144 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 174.455 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -99.69 91.62 4.95 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 114.939 -1.028 . . . . 0.0 109.255 -170.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 12.0 p -67.76 -9.61 45.46 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -172.22 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -59.01 -38.26 78.83 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.189 0.519 . . . . 0.0 109.955 174.32 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 5.8 p -123.65 -0.82 8.56 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.896 179.424 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 4.8 t30 60.45 57.81 2.71 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.139 178.348 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -141.55 168.78 18.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.423 176.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 414' ' ' CYS . . . . . . . . . . . . . 42.0 t -92.38 119.39 31.88 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 167.111 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -143.96 174.82 10.51 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.226 -174.831 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.448 HD12 ' O ' ' A' ' 404' ' ' GLY . 37.6 tp . . . . . 0 C--N 1.323 -0.555 0 CA-C-O 120.929 0.395 . . . . 0.0 110.798 -174.38 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 23.6 mtmm . . . . . 0 CA--C 1.517 -0.323 0 CA-C-O 121.212 0.529 . . . . 0.0 110.574 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 419' ' ' ASP . . . . . 0.637 ' O ' ' HG2' ' A' ' 423' ' ' LYS . 1.2 t70 -56.31 -54.89 40.11 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.998 173.576 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 86.2 t -61.86 -38.9 81.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.762 0.315 . . . . 0.0 110.535 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 421' ' ' LYS . . . . . 0.412 ' C ' ' HD3' ' A' ' 421' ' ' LYS . 0.8 OUTLIER -55.78 -43.83 77.16 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 174.922 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -76.59 -18.03 58.87 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.243 -0.889 . . . . 0.0 111.068 -176.761 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 423' ' ' LYS . . . . . 0.637 ' HG2' ' O ' ' A' ' 419' ' ' ASP . 11.5 mmpt? -81.49 -40.91 22.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.409 0.623 . . . . 0.0 109.717 175.742 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 8.6 tt -66.51 -51.42 56.81 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.948 -1.024 . . . . 0.0 110.316 -178.1 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 . . . . . 0 C--N 1.321 -0.643 0 CA-C-O 121.046 0.451 . . . . 0.0 109.878 -179.961 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 379' ' ' SER . . . . . 0.638 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 40.8 m . . . . . 0 N--CA 1.451 -0.382 0 CA-C-O 120.557 0.218 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -68.95 -43.38 75.14 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.448 179.117 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -68.02 -51.33 48.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.683 -0.235 . . . . 0.0 111.305 -175.475 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 382' ' ' ASN . . . . . 0.613 ' O ' HG13 ' A' ' 386' ' ' ILE . 0.5 OUTLIER -66.29 -33.52 75.92 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.313 -176.467 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 383' ' ' LYS . . . . . 0.794 ' HE3' ' HB3' ' A' ' 403' ' ' LYS . 12.9 mptt -66.85 -46.72 74.18 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 179.357 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -57.17 -47.11 82.04 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.003 -0.998 . . . . 0.0 109.817 174.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 385' ' ' LYS . . . . . 0.435 ' HD2' ' HA ' ' A' ' 385' ' ' LYS . 37.7 tptt -63.17 -30.54 71.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.486 -177.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 386' ' ' ILE . . . . . 0.613 HG13 ' O ' ' A' ' 382' ' ' ASN . 88.2 mt -67.18 -39.37 82.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.263 0.554 . . . . 0.0 109.8 178.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 61.8 m -69.91 -38.44 76.29 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.346 176.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -67.95 -25.4 65.44 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.628 178.637 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -72.19 -30.02 64.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.048 176.759 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -82.23 -38.17 24.91 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.362 -179.489 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 59.3 mttm 70.36 -93.87 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.782 -1.099 . . . . 0.0 112.248 173.409 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -112.77 10.31 19.2 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -173.125 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -88.66 85.17 6.75 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.023 179.51 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -55.4 -43.12 74.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.503 -0.772 . . . . 0.0 111.389 -177.682 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -53.89 -52.82 59.28 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.169 -178.151 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 396' ' ' ALA . . . . . 0.669 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -70.87 -29.65 65.81 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.707 0.289 . . . . 0.0 111.043 -174.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 397' ' ' CYS . . . . . 0.6 ' HA ' HD11 ' A' ' 400' ' ' LEU . 77.8 m -72.84 -39.87 66.2 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.097 0.475 . . . . 0.0 111.031 -179.663 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 398' ' ' GLU . . . . . 0.429 ' HA ' ' HB2' ' A' ' 401' ' ' LYS . 37.5 mm-40 -73.44 -11.56 60.51 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.949 0.404 . . . . 0.0 110.121 174.698 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 399' ' ' ASN . . . . . 0.465 ' HB2' ' O ' ' A' ' 396' ' ' ALA . 2.8 m120 -77.47 -55.13 5.64 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.946 0.403 . . . . 0.0 110.293 170.293 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.669 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 1.4 pp -81.26 11.55 4.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.149 0.5 . . . . 0.0 110.857 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 401' ' ' LYS . . . . . 0.629 ' HG3' ' O ' ' A' ' 405' ' ' CYS . 29.4 tttp -56.28 -23.61 37.63 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.458 171.267 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -53.83 -32.67 53.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.394 173.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 403' ' ' LYS . . . . . 0.794 ' HB3' ' HE3' ' A' ' 383' ' ' LYS . 92.7 mttt -87.72 -0.82 57.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.053 -177.662 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 93.38 58.03 1.32 Allowed Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.991 -0.623 . . . . 0.0 112.619 179.151 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 405' ' ' CYS . . . . . 0.629 ' O ' ' HG3' ' A' ' 401' ' ' LYS . 36.8 t -127.27 156.09 42.47 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 -178.656 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 7.6 p -144.93 128.3 11.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 120.96 0.41 . . . . 0.0 111.081 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 407' ' ' PHE . . . . . 0.697 ' HD2' ' SG ' ' A' ' 414' ' ' CYS . 43.0 t80 -83.48 125.39 31.68 Favored 'General case' 0 N--CA 1.438 -1.067 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 171.56 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -102.14 106.31 17.15 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 178.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 2.7 p -66.11 -20.9 66.3 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.919 -175.18 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -65.18 -50.64 65.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.125 0.488 . . . . 0.0 110.007 177.146 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 12.9 m -85.39 -15.26 43.7 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.222 0.534 . . . . 0.0 110.23 178.373 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 3.8 t30 61.67 41.39 12.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.515 -178.665 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -152.3 155.73 38.25 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.366 175.651 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 414' ' ' CYS . . . . . 0.697 ' SG ' ' HD2' ' A' ' 407' ' ' PHE . 8.9 m -82.03 141.99 32.74 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.535 177.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -141.62 168.48 19.67 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 178.652 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.702 HD13 ' HB3' ' A' ' 383' ' ' LYS . 29.5 tp . . . . . 0 C--N 1.325 -0.477 0 CA-C-O 121.19 0.519 . . . . 0.0 110.415 176.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 5.6 tppp? . . . . . 0 CA--C 1.519 -0.229 0 CA-C-O 121.576 0.703 . . . . 0.0 110.428 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -56.37 -46.47 80.03 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 113.846 -1.524 . . . . 0.0 110.897 -174.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 71.1 t -64.18 -45.67 95.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.89 -179.066 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -72.68 -39.95 66.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.671 -174.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -70.48 -24.05 62.79 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.114 -175.519 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 41.1 mtmt -98.72 -6.91 28.6 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.386 174.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -75.68 -51.12 13.47 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 171.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.851 175.957 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 3.5 p . . . . . 0 N--CA 1.454 -0.23 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -59.77 -44.48 93.86 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -175.037 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -70.73 -54.0 13.42 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.742 -174.369 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 382' ' ' ASN . . . . . 0.401 ' O ' HG13 ' A' ' 386' ' ' ILE . 0.6 OUTLIER -67.99 -36.11 79.46 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 121.055 -0.258 . . . . 0.0 111.483 -173.167 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 383' ' ' LYS . . . . . 0.474 ' HB3' HD13 ' A' ' 416' ' ' LEU . 2.6 mptm? -65.64 -49.27 69.28 Favored 'General case' 0 CA--C 1.519 -0.232 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.246 179.442 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 384' ' ' GLU . . . . . 0.457 ' CG ' ' HB3' ' A' ' 416' ' ' LEU . 24.7 mt-10 -60.55 -36.21 77.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.279 179.644 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -63.22 -41.02 99.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.77 0.319 . . . . 0.0 110.954 176.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 386' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 382' ' ' ASN . 96.2 mt -68.61 -40.74 82.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.079 0.466 . . . . 0.0 109.867 -179.601 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 60.5 m -67.15 -40.49 86.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.511 176.621 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 388' ' ' ASN . . . . . 0.6 ' O ' ' HG3' ' A' ' 391' ' ' LYS . 1.3 m-80 -79.88 -10.27 59.76 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 122.314 -0.241 . . . . 0.0 111.302 -179.282 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -70.14 -20.2 63.17 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.067 0.461 . . . . 0.0 109.977 172.581 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -99.0 -43.86 6.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.554 176.38 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 391' ' ' LYS . . . . . 0.6 ' HG3' ' O ' ' A' ' 388' ' ' ASN . 8.6 mtmp? 57.37 -92.67 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.634 -179.755 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -83.0 -21.32 33.93 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 123.47 0.481 . . . . 0.0 111.29 -171.414 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 -79.29 104.71 10.1 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.23 0.538 . . . . 0.0 110.097 -178.641 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 394' ' ' GLN . . . . . 0.458 ' O ' ' HG2' ' A' ' 398' ' ' GLU . 35.7 tt0 -76.52 -50.01 15.05 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.399 -0.818 . . . . 0.0 110.516 -177.774 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -58.2 -47.71 82.6 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.267 -174.794 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -64.69 -33.2 75.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.932 -178.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 397' ' ' CYS . . . . . 0.572 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 1.8 t -75.59 -36.59 60.29 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.664 -0.415 . . . . 0.0 110.308 -179.057 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 398' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 394' ' ' GLN . 16.7 mm-40 -64.1 -22.51 66.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.756 0.313 . . . . 0.0 110.674 175.615 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -71.18 -49.31 45.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.99 0.424 . . . . 0.0 110.407 174.131 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.403 HD11 ' HA ' ' A' ' 397' ' ' CYS . 2.3 pp -90.45 13.55 15.34 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.374 0.607 . . . . 0.0 110.528 -178.162 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 401' ' ' LYS . . . . . 0.737 ' HG3' ' O ' ' A' ' 405' ' ' CYS . 33.4 tttp -54.08 -21.19 7.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.793 -1.094 . . . . 0.0 112.408 179.639 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -52.56 -35.27 53.43 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 123.632 0.582 . . . . 0.0 111.444 -177.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -78.0 -23.29 48.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.3 -175.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 404' ' ' GLY . . . . . 0.656 ' HA2' ' HD3' ' A' ' 418' ' ' LYS . . . 128.88 48.34 0.15 Allowed Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.338 -0.934 . . . . 0.0 112.951 177.283 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 405' ' ' CYS . . . . . 0.737 ' O ' ' HG3' ' A' ' 401' ' ' LYS . 60.5 m -116.52 112.02 20.78 Favored 'General case' 0 C--N 1.32 -0.68 0 O-C-N 122.52 -0.4 . . . . 0.0 111.421 -175.784 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 406' ' ' VAL . . . . . 0.539 ' HB ' ' HB3' ' A' ' 418' ' ' LYS . 7.5 p -115.74 114.54 46.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 174.845 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 407' ' ' PHE . . . . . 0.838 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 21.4 t80 -62.89 122.37 15.82 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.054 178.364 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -104.01 117.19 33.7 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.076 -179.535 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 12.0 p -62.11 -27.99 69.31 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.514 -179.142 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -72.87 -48.26 38.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.048 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 26.6 m -75.98 -17.12 59.84 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.717 -0.22 . . . . 0.0 110.629 178.496 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 10.5 t30 70.36 4.24 4.82 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.694 0.759 . . . . 0.0 110.541 -179.497 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -126.94 162.7 25.33 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.109 -179.443 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 414' ' ' CYS . . . . . 0.838 ' HA ' ' HA ' ' A' ' 407' ' ' PHE . 22.6 t -76.92 131.74 38.71 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.367 173.486 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -128.38 140.12 52.02 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.849 0.357 . . . . 0.0 111.547 -169.173 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.474 HD13 ' HB3' ' A' ' 383' ' ' LYS . 15.8 tp . . . . . 0 C--N 1.327 -0.384 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 170.025 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 418' ' ' LYS . . . . . 0.656 ' HD3' ' HA2' ' A' ' 404' ' ' GLY . 4.2 ptmm? . . . . . 0 N--CA 1.464 0.245 0 CA-C-O 121.306 0.574 . . . . 0.0 110.461 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -68.61 -45.88 70.77 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.8 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 44.2 t -67.34 -40.03 83.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.006 177.471 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -59.14 -53.47 58.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.998 178.757 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -62.78 -43.24 99.31 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.064 0.459 . . . . 0.0 110.302 -179.242 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 50.6 tttp -56.45 -53.54 56.18 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.867 179.083 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 10.4 tt -69.86 -38.8 76.54 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.183 -175.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 . . . . . 0 C--N 1.328 -0.34 0 CA-C-O 120.86 0.362 . . . . 0.0 110.815 -178.124 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 379' ' ' SER . . . . . 0.465 ' O ' ' HD3' ' A' ' 383' ' ' LYS . 11.5 m . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 111.594 0.22 . . . . 0.0 111.594 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -70.71 -38.31 73.62 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.643 0.259 . . . . 0.0 111.118 -177.602 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -67.32 -58.0 5.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.408 -176.025 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 382' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -64.97 -37.28 87.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.087 -173.671 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 383' ' ' LYS . . . . . 0.609 ' HB3' ' HG ' ' A' ' 416' ' ' LEU . 6.3 mptp? -59.22 -57.67 12.01 Favored 'General case' 0 CA--C 1.518 -0.262 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.097 176.683 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 384' ' ' GLU . . . . . 0.515 ' HG3' ' HB2' ' A' ' 416' ' ' LEU . 20.6 mt-10 -61.55 -35.69 78.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.721 -177.853 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? -62.01 -44.15 97.33 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.908 0.385 . . . . 0.0 110.095 176.614 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 386' ' ' ILE . . . . . 0.419 HD13 ' HD3' ' A' ' 403' ' ' LYS . 84.8 mt -66.1 -40.48 87.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.655 177.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 387' ' ' CYS . . . . . 0.645 ' O ' ' HB2' ' A' ' 414' ' ' CYS . 67.2 m -59.12 -44.76 92.02 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.317 175.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -75.74 -19.11 59.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.84 -177.42 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -72.46 -14.24 61.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.315 177.4 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 390' ' ' ALA . . . . . 0.766 ' HB2' HD21 ' A' ' 400' ' ' LEU . . . -92.78 -20.46 20.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.972 0.415 . . . . 0.0 110.396 179.024 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? 58.25 -139.15 0.81 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.459 177.273 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -87.82 12.6 12.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.038 -179.3 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -83.13 90.2 7.04 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 178.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -64.19 -31.85 73.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.813 -176.576 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -63.86 -52.58 59.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.957 0.408 . . . . 0.0 110.094 175.59 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 396' ' ' ALA . . . . . 0.413 ' O ' ' HB2' ' A' ' 399' ' ' ASN . . . -60.76 -38.89 86.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.08 178.835 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -53.41 -52.76 58.35 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.186 -0.916 . . . . 0.0 111.243 174.689 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -60.32 -22.94 63.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.845 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 399' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' A' ' 396' ' ' ALA . 14.7 m120 -70.75 -61.14 1.88 Allowed 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.936 0.398 . . . . 0.0 110.596 174.604 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.766 HD21 ' HB2' ' A' ' 390' ' ' ALA . 2.8 pp -83.03 12.08 5.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.124 0.488 . . . . 0.0 111.23 -177.02 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 5.7 tmtp? -50.48 -39.99 49.83 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.202 -0.908 . . . . 0.0 112.189 -179.358 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -72.98 -3.1 23.88 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -174.338 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 403' ' ' LYS . . . . . 0.419 ' HD3' HD13 ' A' ' 386' ' ' ILE . 98.1 mttt -86.29 2.33 47.67 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.38 175.024 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 100.23 18.7 21.02 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.266 178.012 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 91.3 m -106.7 119.76 40.18 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.074 0.464 . . . . 0.0 111.132 -177.354 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 7.4 p -114.37 132.95 61.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.869 177.527 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 407' ' ' PHE . . . . . 0.553 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 29.0 t80 -72.91 130.27 40.02 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.271 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -110.96 116.89 31.97 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.376 178.159 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 8.5 p -71.45 -17.71 62.36 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.759 -175.417 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -78.67 -49.34 13.34 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.826 0.346 . . . . 0.0 110.554 -176.827 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 28.2 p -80.43 -18.42 48.84 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.173 176.457 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 65.84 39.96 4.44 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.841 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 53.6 pttt -154.67 152.39 29.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.655 176.632 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 414' ' ' CYS . . . . . 0.645 ' HB2' ' O ' ' A' ' 387' ' ' CYS . 32.5 m -65.88 126.41 28.45 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.785 0.326 . . . . 0.0 110.694 170.676 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -123.16 165.23 17.22 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 176.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.609 ' HG ' ' HB3' ' A' ' 383' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.434 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 178.129 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? . . . . . 0 N--CA 1.464 0.247 0 N-CA-C 111.844 0.313 . . . . 0.0 111.844 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -61.4 -38.76 88.23 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.855 -178.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 98.2 t -71.25 -45.07 72.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.284 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -59.01 -42.49 90.27 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.312 177.507 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -58.03 -47.96 81.51 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.062 178.306 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.3 -20.57 51.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.008 -174.156 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 76.2 mt -79.16 -47.45 16.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.13 174.705 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.346 -178.253 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 379' ' ' SER . . . . . 0.537 ' HA ' ' OD1' ' A' ' 382' ' ' ASN . 41.7 m . . . . . 0 C--O 1.222 -0.363 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -50.95 -51.17 55.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.833 0.349 . . . . 0.0 111.838 -175.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -72.0 -49.19 39.08 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.05 -176.342 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 382' ' ' ASN . . . . . 0.537 ' OD1' ' HA ' ' A' ' 379' ' ' SER . 0.4 OUTLIER -75.58 -27.31 58.52 Favored 'General case' 0 C--O 1.223 -0.317 0 C-N-CA 120.397 -0.521 . . . . 0.0 111.315 -172.296 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 383' ' ' LYS . . . . . 0.556 ' HB3' HD13 ' A' ' 416' ' ' LEU . 13.7 mptt -65.02 -48.83 72.51 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 174.431 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -56.43 -46.21 80.36 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 114.808 -1.087 . . . . 0.0 109.943 175.255 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 385' ' ' LYS . . . . . 0.455 ' HD3' ' C ' ' A' ' 385' ' ' LYS . 13.0 tmtt? -58.52 -43.02 89.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.496 178.462 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 386' ' ' ILE . . . . . 0.508 HG13 ' O ' ' A' ' 382' ' ' ASN . 72.7 mt -63.32 -43.69 98.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.221 0.534 . . . . 0.0 109.702 -178.067 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 59.7 m -66.85 -40.46 87.91 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.591 176.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -68.99 -27.45 65.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.212 -179.096 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -72.39 -13.59 61.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.889 0.376 . . . . 0.0 111.285 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -82.8 -22.95 34.06 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 175.049 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 37.6 mtpt 53.97 -137.28 1.23 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 114.697 -1.138 . . . . 0.0 111.147 177.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 392' ' ' ASP . . . . . 0.494 ' HA ' ' HA ' ' A' ' 413' ' ' LYS . 5.1 m-20 -79.83 0.68 29.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.182 -176.151 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -78.91 109.24 13.0 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.001 0.429 . . . . 0.0 110.005 -178.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 394' ' ' GLN . . . . . 0.482 ' O ' ' HG3' ' A' ' 398' ' ' GLU . 52.2 tt0 -64.82 -45.24 87.04 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.77 -175.069 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 16.4 ttmm -70.69 -34.27 71.8 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 121.022 -0.271 . . . . 0.0 111.546 -172.686 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -61.34 -37.59 83.88 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 174.075 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 23.7 t -69.71 -40.4 76.31 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.061 176.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 398' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' A' ' 394' ' ' GLN . 44.7 mt-10 -54.66 -40.67 69.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.091 176.799 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -66.98 -40.85 87.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.232 0.539 . . . . 0.0 110.283 178.121 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 400' ' ' LEU . . . . . . . . . . . . . 69.6 mt -83.21 0.19 46.56 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.409 -177.419 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 401' ' ' LYS . . . . . 0.434 ' HA ' ' O ' ' A' ' 405' ' ' CYS . 5.6 tmtm? -58.23 -34.88 70.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.999 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -65.0 -33.76 76.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.761 178.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -81.12 -12.58 59.21 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.929 -176.009 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 122.09 14.87 4.43 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.513 -0.851 . . . . 0.0 113.195 176.661 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 405' ' ' CYS . . . . . 0.562 ' HB3' ' SG ' ' A' ' 414' ' ' CYS . 71.2 m -93.94 147.65 22.9 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.166 0.508 . . . . 0.0 111.293 179.644 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 9.2 p -136.91 141.87 39.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 175.628 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 407' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -76.52 125.77 29.82 Favored 'General case' 0 N--CA 1.44 -0.956 0 C-N-CA 119.825 -0.75 . . . . 0.0 109.034 177.562 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -111.5 99.15 7.97 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.149 0.499 . . . . 0.0 109.777 -174.297 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 17.1 p -66.46 -17.15 64.63 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.58 -0.737 . . . . 0.0 111.859 -174.031 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -68.7 -26.33 65.23 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.293 0.568 . . . . 0.0 109.663 -178.657 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 12.8 p -117.36 -0.37 12.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.383 176.291 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 10.0 t30 68.94 10.28 7.84 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.318 176.054 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 413' ' ' LYS . . . . . 0.494 ' HA ' ' HA ' ' A' ' 392' ' ' ASP . 5.2 ptpp? -135.97 168.11 19.96 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 121.996 -0.44 . . . . 0.0 111.34 -176.437 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 414' ' ' CYS . . . . . 0.562 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 49.6 t -74.66 138.94 43.2 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.537 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -138.45 158.46 44.23 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.393 -176.333 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.556 HD13 ' HB3' ' A' ' 383' ' ' LYS . 56.1 tp . . . . . 0 C--N 1.327 -0.381 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 174.458 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.222 -0.344 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 419' ' ' ASP . . . . . 0.608 ' O ' ' HD3' ' A' ' 423' ' ' LYS . 33.7 t70 -63.75 -37.68 88.28 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.095 0.474 . . . . 0.0 110.346 176.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 93.6 t -76.1 -41.6 37.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.254 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 421' ' ' LYS . . . . . 0.412 ' O ' ' HG2' ' A' ' 425' ' ' GLU . 19.6 ttmt -68.28 -36.2 79.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.896 0.379 . . . . 0.0 110.652 -179.412 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -59.78 -44.58 93.83 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.054 175.28 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 423' ' ' LYS . . . . . 0.608 ' HD3' ' O ' ' A' ' 419' ' ' ASP . 0.6 OUTLIER -81.26 -6.18 58.59 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.386 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 64.0 tp -89.34 -58.82 2.4 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.873 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 425' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' A' ' 421' ' ' LYS . 9.6 pt-20 . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.655 -176.413 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 49.2 m . . . . . 0 N--CA 1.455 -0.214 0 CA-C-O 120.743 0.306 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -65.01 -41.75 95.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.165 179.729 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -59.06 -58.63 7.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.506 -175.055 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 382' ' ' ASN . . . . . 0.572 ' O ' HG13 ' A' ' 386' ' ' ILE . 2.9 p30 -70.15 -32.25 70.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.058 -173.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 383' ' ' LYS . . . . . 0.483 ' HB3' HD13 ' A' ' 416' ' ' LEU . 13.3 mptt -68.74 -46.23 69.41 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -179.667 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -59.15 -41.36 88.16 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.296 177.472 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 385' ' ' LYS . . . . . 0.422 ' HD2' ' HA ' ' A' ' 385' ' ' LYS . 19.5 tptm -67.58 -29.05 68.31 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.973 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 386' ' ' ILE . . . . . 0.572 HG13 ' O ' ' A' ' 382' ' ' ASN . 79.6 mt -65.54 -44.14 94.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 175.007 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 14.4 m -61.59 -41.89 98.08 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.113 175.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -73.59 -17.76 61.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.565 -177.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -77.86 -22.84 49.23 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.25 0.548 . . . . 0.0 110.586 176.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -87.41 -35.24 18.42 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.036 178.2 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 45.0 mtmt 67.23 -86.34 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 114.971 -1.013 . . . . 0.0 112.366 174.73 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -121.93 -9.22 8.79 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.64 -171.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -75.51 85.99 2.61 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.525 0.678 . . . . 0.0 110.568 -175.5 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -53.95 -45.32 71.27 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.362 -1.29 . . . . 0.0 112.725 -172.12 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 395' ' ' LYS . . . . . 0.431 ' HD2' ' HA ' ' A' ' 395' ' ' LYS . 38.7 tptt -64.06 -40.23 95.82 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.911 -0.316 . . . . 0.0 111.081 -175.088 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 396' ' ' ALA . . . . . 0.483 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -63.08 -31.95 73.21 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.646 0.736 . . . . 0.0 109.922 177.842 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 397' ' ' CYS . . . . . 0.537 ' HA ' ' CD1' ' A' ' 400' ' ' LEU . 86.3 m -76.94 -35.99 56.88 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 114.911 -1.041 . . . . 0.0 111.31 -178.354 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -55.96 -36.5 67.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.811 0.339 . . . . 0.0 110.284 171.162 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 41.2 m-80 -64.42 -46.25 84.05 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.201 178.082 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.537 ' CD1' ' HA ' ' A' ' 397' ' ' CYS . 1.8 pp -98.44 18.7 15.93 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.895 0.379 . . . . 0.0 111.779 -177.618 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 401' ' ' LYS . . . . . 0.645 ' HA ' ' O ' ' A' ' 405' ' ' CYS . 14.1 tmtt? -56.52 -46.65 80.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.211 179.105 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -62.06 -19.59 63.08 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.625 -176.251 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 403' ' ' LYS . . . . . 0.476 ' HD2' ' HB2' ' A' ' 400' ' ' LEU . 61.8 mttp -76.02 -20.99 57.35 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.518 -178.422 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 404' ' ' GLY . . . . . 0.422 ' O ' HD12 ' A' ' 416' ' ' LEU . . . 136.59 -6.6 3.87 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.381 177.777 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 405' ' ' CYS . . . . . 0.645 ' O ' ' HA ' ' A' ' 401' ' ' LYS . 73.3 m -94.89 113.54 25.28 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.151 0.501 . . . . 0.0 111.638 -175.048 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 39.5 t -110.92 136.6 46.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 175.731 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 407' ' ' PHE . . . . . 0.538 ' HD1' ' SG ' ' A' ' 414' ' ' CYS . 27.0 t80 -75.16 122.37 23.52 Favored 'General case' 0 N--CA 1.44 -0.955 0 C-N-CA 119.858 -0.737 . . . . 0.0 109.711 178.075 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -99.14 110.3 22.88 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 -179.299 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 2.7 p -76.04 -15.97 60.03 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.927 0.394 . . . . 0.0 111.585 -177.146 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -84.39 -52.91 5.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.075 178.61 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 20.7 m -71.9 -24.78 61.71 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.084 0.468 . . . . 0.0 109.786 175.011 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 70.14 47.51 0.56 Allowed 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.295 175.58 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -161.0 161.15 31.4 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.284 174.789 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 414' ' ' CYS . . . . . 0.538 ' SG ' ' HD1' ' A' ' 407' ' ' PHE . 59.9 m -73.97 118.08 16.5 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 172.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -127.81 133.53 49.42 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.574 -168.357 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.553 HD21 ' HD3' ' A' ' 421' ' ' LYS . 36.4 tp . . . . . 0 C--N 1.327 -0.379 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 174.213 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 418' ' ' LYS . . . . . 0.58 ' O ' ' HB2' ' A' ' 422' ' ' GLU . 16.2 ptmt . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 120.783 0.325 . . . . 0.0 110.764 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.2 -51.41 53.8 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.76 178.657 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 76.6 t -69.58 -42.91 80.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 120.837 0.351 . . . . 0.0 110.328 178.115 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 421' ' ' LYS . . . . . 0.553 ' HD3' HD21 ' A' ' 416' ' ' LEU . 3.6 ttpp -65.21 -27.82 68.95 Favored 'General case' 0 C--O 1.213 -0.855 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.304 -179.557 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 422' ' ' GLU . . . . . 0.58 ' HB2' ' O ' ' A' ' 418' ' ' LYS . 1.4 tp10 -72.81 -42.38 63.9 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.274 0.559 . . . . 0.0 109.536 -178.835 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -65.74 -37.94 87.76 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.181 177.314 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 56.4 tp -75.67 -34.73 60.48 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.791 178.353 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 425' ' ' GLU . . . . . 0.53 ' HB2' ' O ' ' A' ' 421' ' ' LYS . 6.8 tp10 . . . . . 0 C--O 1.234 0.267 0 CA-C-O 121.516 0.674 . . . . 0.0 109.454 179.261 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 14.7 m . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -53.34 -47.24 69.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.878 0.371 . . . . 0.0 110.479 177.999 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -66.51 -40.99 89.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.099 -179.662 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 382' ' ' ASN . . . . . 0.487 ' O ' HG13 ' A' ' 386' ' ' ILE . 13.5 m120 -61.32 -52.21 65.63 Favored 'General case' 0 CA--C 1.507 -0.697 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.783 179.054 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 383' ' ' LYS . . . . . 0.573 ' HB3' HD13 ' A' ' 416' ' ' LEU . 1.7 mptm? -57.08 -45.84 83.02 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.658 179.32 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -55.32 -50.61 69.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.687 174.005 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -54.57 -40.7 69.04 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.273 0.472 . . . . 0.0 112.273 178.807 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 386' ' ' ILE . . . . . 0.487 HG13 ' O ' ' A' ' 382' ' ' ASN . 51.5 mt -68.48 -41.17 83.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 121.099 0.476 . . . . 0.0 109.916 -178.87 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 38.9 m -68.27 -44.9 74.54 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.513 177.112 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -66.66 -27.37 67.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.04 -175.664 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -63.63 -16.38 60.8 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.338 0.495 . . . . 0.0 112.338 178.391 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -85.76 -26.4 25.85 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.188 0.518 . . . . 0.0 109.829 178.166 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 60.9 mttm 55.34 -103.07 0.17 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 114.718 -1.128 . . . . 0.0 113.153 176.402 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -98.68 -21.33 16.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.918 -168.578 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -78.32 104.22 8.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.284 0.564 . . . . 0.0 110.666 -177.357 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -64.02 -37.73 88.48 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.186 -0.916 . . . . 0.0 111.282 -178.448 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -62.3 -45.18 94.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.445 -177.372 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 396' ' ' ALA . . . . . 0.48 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -64.44 -39.75 94.43 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-O 120.795 0.331 . . . . 0.0 110.393 178.761 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 397' ' ' CYS . . . . . 0.437 ' O ' HD12 ' A' ' 400' ' ' LEU . 44.3 t -57.77 -50.75 72.21 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.525 0.678 . . . . 0.0 110.401 177.053 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 398' ' ' GLU . . . . . 0.819 ' HA ' ' HB2' ' A' ' 401' ' ' LYS . 34.9 mt-10 -80.32 0.5 32.66 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.4 -177.366 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -80.65 -43.69 20.03 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.249 0.547 . . . . 0.0 109.588 168.333 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 1.3 pp -97.23 14.38 26.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.332 176.881 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 401' ' ' LYS . . . . . 0.819 ' HB2' ' HA ' ' A' ' 398' ' ' GLU . 57.2 tptt -41.99 -36.6 1.15 Allowed 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 114.336 -1.302 . . . . 0.0 112.96 174.502 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -61.41 -21.88 64.5 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 120.616 0.246 . . . . 0.0 111.603 -176.5 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 403' ' ' LYS . . . . . 0.401 ' CD ' HG21 ' A' ' 386' ' ' ILE . 65.3 mttm -75.3 -6.77 51.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.914 0.387 . . . . 0.0 110.748 179.175 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 100.3 16.1 28.35 Favored Glycine 0 N--CA 1.447 -0.628 0 N-CA-C 111.659 -0.577 . . . . 0.0 111.659 -178.303 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 71.3 m -89.27 103.93 16.52 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 121.181 0.515 . . . . 0.0 110.927 -178.2 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 2.5 p -101.6 122.36 53.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.874 176.27 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 407' ' ' PHE . . . . . 0.598 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 36.7 t80 -64.15 123.35 18.84 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 179.157 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -99.72 108.66 21.04 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.201 -176.074 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 4.2 p -76.51 -22.78 54.01 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.263 -178.487 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -63.91 -41.04 97.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.897 0.379 . . . . 0.0 110.779 -177.87 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 16.3 m -108.13 0.68 21.73 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 179.441 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 5.7 t30 54.99 69.61 0.71 Allowed 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.312 -179.233 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 17.0 pttp -177.3 145.79 0.46 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.447 174.82 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 414' ' ' CYS . . . . . 0.598 ' HA ' ' HA ' ' A' ' 407' ' ' PHE . 53.4 t -70.49 123.11 21.01 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 176.207 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -136.09 172.26 13.27 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.408 -176.928 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.916 HD23 ' HD3' ' A' ' 418' ' ' LYS . 24.5 tp . . . . . 0 C--N 1.321 -0.668 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 418' ' ' LYS . . . . . 0.916 ' HD3' HD23 ' A' ' 416' ' ' LEU . 19.3 mtpp . . . . . 0 CA--C 1.517 -0.298 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 419' ' ' ASP . . . . . 0.496 ' O ' ' HG2' ' A' ' 423' ' ' LYS . 15.0 t70 -68.87 -41.07 78.9 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.159 -172.68 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 94.5 t -66.25 -44.58 91.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.849 -179.606 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 25.6 ttmt -72.02 -23.33 61.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.102 0.477 . . . . 0.0 110.239 179.025 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 422' ' ' GLU . . . . . 0.443 ' HB3' ' O ' ' A' ' 419' ' ' ASP . 34.8 tt0 -64.04 -41.82 97.27 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.798 172.137 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 423' ' ' LYS . . . . . 0.496 ' HG2' ' O ' ' A' ' 419' ' ' ASP . 46.7 mmtm -75.47 -13.83 60.4 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.271 178.754 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 63.8 tp -83.45 -36.74 23.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.098 174.317 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 . . . . . 0 C--O 1.232 0.181 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 176.379 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 379' ' ' SER . . . . . 0.533 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 6.2 m . . . . . 0 N--CA 1.454 -0.243 0 CA-C-O 120.44 0.162 . . . . 0.0 111.351 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 380' ' ' ALA . . . . . 0.619 ' HB2' ' HG ' ' A' ' 424' ' ' LEU . . . -70.73 -41.04 72.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.818 0.342 . . . . 0.0 110.347 178.672 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -55.01 -57.86 9.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.536 -175.848 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 382' ' ' ASN . . . . . 0.523 ' O ' HG13 ' A' ' 386' ' ' ILE . 1.9 p30 -75.72 -37.35 59.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.131 -174.882 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 383' ' ' LYS . . . . . 0.533 ' HB2' ' O ' ' A' ' 379' ' ' SER . 10.8 mptt -66.46 -46.07 77.63 Favored 'General case' 0 CA--C 1.517 -0.299 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.124 -178.028 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -58.45 -46.81 85.8 Favored 'General case' 0 C--O 1.222 -0.373 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.02 175.242 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -60.78 -34.7 74.88 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.388 -179.077 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 386' ' ' ILE . . . . . 0.523 HG13 ' O ' ' A' ' 382' ' ' ASN . 75.9 mt -68.89 -48.58 69.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 178.254 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 62.8 m -64.01 -42.39 97.16 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.827 179.159 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -76.31 -17.33 59.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.723 -174.496 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -62.5 -27.61 69.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.28 176.731 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -77.3 -24.03 50.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.113 0.482 . . . . 0.0 109.748 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 56.5 mttp 58.93 -108.21 0.39 Allowed 'General case' 0 C--O 1.234 0.269 0 CA-C-N 114.957 -1.019 . . . . 0.0 111.74 174.707 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -101.93 -0.61 33.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.734 -177.034 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -85.32 106.48 16.74 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.084 0.469 . . . . 0.0 110.151 -178.631 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 394' ' ' GLN . . . . . 0.431 ' O ' ' HG2' ' A' ' 398' ' ' GLU . 6.3 tt0 -69.54 -40.01 77.12 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.43 -176.599 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -60.68 -42.05 96.34 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.933 0.397 . . . . 0.0 110.875 -176.811 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 396' ' ' ALA . . . . . 0.488 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -62.11 -36.69 82.49 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.106 175.941 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 7.9 t -69.29 -39.16 78.49 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.597 -179.781 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 398' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 394' ' ' GLN . 62.3 mm-40 -62.03 -27.15 68.68 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.58 176.817 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -79.15 -25.62 42.86 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.259 174.532 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 92.6 mt -91.05 1.82 56.79 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.94 179.691 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 17.7 mmtp -51.62 -36.68 46.81 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 123.078 0.551 . . . . 0.0 111.324 175.376 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -56.15 -39.4 72.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.671 177.837 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 403' ' ' LYS . . . . . 0.425 ' HD2' ' N ' ' A' ' 403' ' ' LYS . 3.2 mptp? -79.44 -15.44 57.81 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.816 -174.351 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 108.88 10.59 24.33 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.505 -0.855 . . . . 0.0 111.969 -177.314 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 58.7 m -84.23 132.39 34.65 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 178.49 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 65.2 t -131.78 128.65 60.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 178.353 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 407' ' ' PHE . . . . . 0.442 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 26.3 t80 -65.98 120.61 13.42 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-O 121.325 0.583 . . . . 0.0 109.707 177.4 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -105.91 108.88 20.63 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.299 -175.338 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.65 -14.06 60.35 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.921 0.391 . . . . 0.0 111.597 -177.364 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -55.95 -52.29 64.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.08 171.931 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 42.4 t -98.28 -8.96 26.24 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.205 -179.786 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 6.3 t30 55.66 68.12 0.91 Allowed 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.008 -171.901 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 6.1 tppp? -166.32 143.7 5.22 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.133 -172.096 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 414' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 407' ' ' PHE . 51.2 t -75.94 120.22 20.98 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.741 -0.836 . . . . 0.0 108.741 169.732 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -137.22 152.94 50.42 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.268 -174.756 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.432 ' HG ' HG23 ' A' ' 420' ' ' VAL . 36.2 tp . . . . . 0 C--N 1.324 -0.539 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 175.413 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 418' ' ' LYS . . . . . 0.425 ' HE3' ' HB2' ' A' ' 418' ' ' LYS . 15.2 ptmt . . . . . 0 C--O 1.222 -0.366 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -65.03 -42.14 94.63 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.019 0.438 . . . . 0.0 111.445 -176.026 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 420' ' ' VAL . . . . . 0.432 HG23 ' HG ' ' A' ' 416' ' ' LEU . 10.4 m -82.7 -31.66 9.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 C-N-CA 120.719 -0.393 . . . . 0.0 111.069 -179.921 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -71.5 -32.24 68.0 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.612 177.656 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -75.02 -28.79 60.62 Favored 'General case' 0 C--O 1.218 -0.584 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 176.26 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 423' ' ' LYS . . . . . 0.614 ' O ' ' HD3' ' A' ' 423' ' ' LYS . 8.4 tmtt? -69.7 -31.32 69.28 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.438 0.637 . . . . 0.0 109.486 174.697 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 424' ' ' LEU . . . . . 0.619 ' HG ' ' HB2' ' A' ' 380' ' ' ALA . 3.2 tm? -63.51 -39.88 95.59 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.917 177.696 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 . . . . . 0 C--N 1.324 -0.523 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.66 173.343 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 10.8 p . . . . . 0 N--CA 1.455 -0.206 0 CA-C-O 120.957 0.408 . . . . 0.0 110.79 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -69.16 -41.84 76.72 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.782 179.526 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -53.77 -58.94 5.41 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.377 -177.826 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 382' ' ' ASN . . . . . 0.501 ' O ' HG13 ' A' ' 386' ' ' ILE . 3.4 p30 -72.62 -30.77 64.62 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.183 -174.134 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 383' ' ' LYS . . . . . 0.659 ' HB3' HD13 ' A' ' 416' ' ' LEU . 13.4 mptt -68.72 -43.17 76.52 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-O 120.993 0.425 . . . . 0.0 109.889 -179.29 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -57.53 -39.51 76.75 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.041 175.872 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -68.75 -37.68 79.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.545 178.908 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 386' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 382' ' ' ASN . 80.8 mt -63.07 -46.93 94.87 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.341 0 CA-C-O 121.269 0.557 . . . . 0.0 109.527 177.927 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 61.7 m -62.2 -44.57 96.28 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.732 177.915 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -74.75 -19.58 60.16 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -174.727 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -72.71 -11.62 60.7 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.84 0.352 . . . . 0.0 110.925 176.982 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -90.92 -14.88 30.78 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 175.415 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? 54.78 -99.88 0.1 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 114.477 -1.238 . . . . 0.0 112.31 178.621 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -128.15 13.05 6.67 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.305 -174.682 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -83.33 98.36 9.4 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.281 178.593 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -62.29 -32.56 73.3 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 121.138 -0.225 . . . . 0.0 110.939 -178.908 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -57.68 -51.99 67.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.992 0.425 . . . . 0.0 110.051 175.974 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 396' ' ' ALA . . . . . 0.572 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -66.23 -34.9 79.06 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.342 -179.523 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 397' ' ' CYS . . . . . 0.516 ' SG ' ' HD2' ' A' ' 407' ' ' PHE . 59.9 m -62.61 -42.48 99.6 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.349 176.703 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -60.37 -33.93 73.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.797 0.332 . . . . 0.0 110.992 176.594 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 38.0 m-80 -65.59 -52.62 50.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.095 177.746 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 1.8 pp -95.49 15.62 19.2 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 111.976 0.362 . . . . 0.0 111.976 -175.59 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -62.1 -33.63 74.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.43 0.634 . . . . 0.0 109.368 176.104 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 402' ' ' GLU . . . . . 0.441 ' HG3' ' HG3' ' A' ' 403' ' ' LYS . 3.3 pt-20 -59.67 -25.06 64.43 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.584 176.301 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 403' ' ' LYS . . . . . 0.441 ' HG3' ' HG3' ' A' ' 402' ' ' GLU . 59.1 mttp -89.88 2.49 54.94 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.476 -172.871 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 404' ' ' GLY . . . . . 0.401 ' O ' HD12 ' A' ' 416' ' ' LEU . . . 103.02 17.59 17.93 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.218 -0.992 . . . . 0.0 112.786 176.783 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 71.5 m -104.71 137.66 42.18 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.273 177.703 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 10.9 p -125.27 140.38 48.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.949 179.505 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 407' ' ' PHE . . . . . 0.516 ' HD2' ' SG ' ' A' ' 397' ' ' CYS . 37.6 t80 -84.23 130.87 34.79 Favored 'General case' 0 N--CA 1.441 -0.898 0 CA-C-O 121.446 0.641 . . . . 0.0 110.478 179.206 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 408' ' ' ASN . . . . . 0.44 ' O ' ' HA ' ' A' ' 412' ' ' ASN . 52.1 t-20 -99.53 122.5 42.68 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.397 -0.82 . . . . 0.0 108.842 179.17 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 17.4 p -91.7 -11.34 37.18 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.941 0.401 . . . . 0.0 111.383 -176.847 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -82.27 -59.27 2.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.682 176.678 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 4.4 m -77.9 -17.51 57.21 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.05 177.075 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 412' ' ' ASN . . . . . 0.44 ' HA ' ' O ' ' A' ' 408' ' ' ASN . 4.8 t30 60.88 66.59 0.89 Allowed 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.144 -0.934 . . . . 0.0 110.598 178.673 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -172.35 159.63 4.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.671 179.438 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 414' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.02 138.64 39.71 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.405 174.477 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -140.1 165.61 26.9 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.785 175.312 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.659 HD13 ' HB3' ' A' ' 383' ' ' LYS . 44.9 tp . . . . . 0 C--N 1.328 -0.352 0 CA-C-O 120.719 0.295 . . . . 0.0 110.619 178.708 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt . . . . . 0 C--O 1.221 -0.398 0 CA-C-O 120.466 0.174 . . . . 0.0 111.272 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -50.39 -58.03 6.63 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-O 121.513 0.673 . . . . 0.0 111.132 -178.976 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 68.3 t -63.0 -49.22 84.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.859 -177.775 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 421' ' ' LYS . . . . . 0.431 ' HA ' ' HB3' ' A' ' 424' ' ' LEU . 4.3 tmmm? -69.69 -24.35 63.57 Favored 'General case' 0 C--O 1.214 -0.802 0 C-N-CA 120.401 -0.52 . . . . 0.0 111.701 -176.803 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -65.95 -49.49 67.72 Favored 'General case' 0 C--N 1.316 -0.891 0 O-C-N 121.952 -0.467 . . . . 0.0 110.119 179.177 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 6.3 ptpp? -81.79 -3.2 53.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.047 178.401 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 424' ' ' LEU . . . . . 0.431 ' HB3' ' HA ' ' A' ' 421' ' ' LYS . 8.2 tt -96.02 -39.32 9.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.764 174.414 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 . . . . . 0 C--N 1.331 -0.212 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.788 -178.61 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 58.2 m . . . . . 0 N--CA 1.456 -0.167 0 CA-C-O 120.361 0.124 . . . . 0.0 111.323 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -65.95 -38.05 87.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.697 0.284 . . . . 0.0 110.741 179.772 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -63.63 -62.56 1.58 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.814 -178.955 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 382' ' ' ASN . . . . . 0.517 ' O ' HG13 ' A' ' 386' ' ' ILE . 1.4 p-10 -65.29 -33.0 74.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.523 -172.034 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 383' ' ' LYS . . . . . 0.602 ' HB3' HD22 ' A' ' 416' ' ' LEU . 5.4 mptp? -67.25 -44.46 79.35 Favored 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.273 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -58.92 -45.23 90.85 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.757 175.814 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -60.21 -39.71 87.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.21 -179.5 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 386' ' ' ILE . . . . . 0.517 HG13 ' O ' ' A' ' 382' ' ' ASN . 78.2 mt -65.67 -44.58 93.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.253 0.549 . . . . 0.0 109.762 179.891 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 59.3 m -66.42 -40.45 89.57 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.448 -0.797 . . . . 0.0 110.507 178.639 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -79.58 -5.02 54.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.682 -179.321 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -75.7 -29.01 58.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.029 0.442 . . . . 0.0 110.022 171.015 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -85.04 -23.97 28.36 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.263 175.618 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 67.2 mttm 64.96 -91.24 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 114.629 -1.169 . . . . 0.0 111.866 173.998 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -129.63 14.49 5.96 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.926 0.393 . . . . 0.0 110.798 179.36 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -81.21 105.89 12.76 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.265 174.378 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 22.8 tm0? -62.55 -44.13 97.09 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 179.808 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -53.47 -51.9 61.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.277 -179.841 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 396' ' ' ALA . . . . . 0.417 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -65.82 -27.26 68.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.363 -179.298 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 27.6 t -80.63 -35.89 33.34 Favored 'General case' 0 CA--C 1.508 -0.653 0 CA-C-O 122.112 0.958 . . . . 0.0 108.499 -174.964 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 398' ' ' GLU . . . . . 0.505 ' O ' ' HB2' ' A' ' 401' ' ' LYS . 5.5 tp10 -58.74 -35.08 72.15 Favored 'General case' 0 N--CA 1.423 -1.784 0 CA-C-N 113.674 -1.603 . . . . 0.0 110.091 175.381 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -75.55 -37.03 60.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.604 175.398 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.71 ' HA ' ' HD3' ' A' ' 403' ' ' LYS . 97.5 mt -82.11 6.34 16.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.076 -179.536 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 401' ' ' LYS . . . . . 0.527 ' HA ' ' O ' ' A' ' 405' ' ' CYS . 9.4 tptm -46.18 -47.34 17.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.505 177.205 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -65.31 -17.32 64.42 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.663 -0.698 . . . . 0.0 112.065 -176.066 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 403' ' ' LYS . . . . . 0.71 ' HD3' ' HA ' ' A' ' 400' ' ' LEU . 3.5 mptp? -91.18 -7.53 51.17 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.841 0.353 . . . . 0.0 110.843 -173.933 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 404' ' ' GLY . . . . . 0.419 ' O ' HD12 ' A' ' 416' ' ' LEU . . . 114.14 1.05 23.82 Favored Glycine 0 N--CA 1.45 -0.403 0 N-CA-C 111.593 -0.603 . . . . 0.0 111.593 -178.804 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 405' ' ' CYS . . . . . 0.663 ' HB3' ' SG ' ' A' ' 414' ' ' CYS . 82.4 m -92.53 128.13 38.27 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.293 0.568 . . . . 0.0 111.74 -174.336 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 12.5 p -137.36 138.86 44.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 175.536 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 407' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -70.45 129.56 39.58 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-O 121.102 0.477 . . . . 0.0 110.26 -178.071 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -112.13 111.01 21.61 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.467 -179.567 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 11.2 p -80.84 -1.89 45.06 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.685 -176.461 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -69.79 -44.83 69.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.268 0.556 . . . . 0.0 109.635 176.51 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 8.3 p -108.26 -5.68 16.7 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.401 177.511 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 7.9 t30 56.4 76.2 0.31 Allowed 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.118 -0.946 . . . . 0.0 110.52 -175.142 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -165.61 172.02 12.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.741 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 414' ' ' CYS . . . . . 0.663 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 51.1 t -93.39 117.18 29.77 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 169.745 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -128.26 153.41 46.99 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.775 0.321 . . . . 0.0 110.272 -175.122 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.602 HD22 ' HB3' ' A' ' 383' ' ' LYS . 27.2 tp . . . . . 0 C--N 1.325 -0.463 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 173.605 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 418' ' ' LYS . . . . . 0.428 ' HB3' ' HE3' ' A' ' 418' ' ' LYS . 12.7 ttpp . . . . . 0 C--O 1.221 -0.395 0 CA-C-O 121.552 0.691 . . . . 0.0 110.212 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -78.35 -17.06 57.03 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 114.863 -1.062 . . . . 0.0 111.289 -174.981 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 61.4 t -82.6 -40.64 16.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 172.011 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -59.92 -43.74 94.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.572 172.807 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -67.39 -38.65 85.02 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.38 -1.282 . . . . 0.0 110.484 179.188 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 30.5 ttmt -56.89 -39.02 73.61 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.384 0.611 . . . . 0.0 110.452 178.48 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 66.9 mt -72.83 -66.36 0.68 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.171 -0.922 . . . . 0.0 112.02 -176.985 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 . . . . . 0 C--N 1.32 -0.674 0 CA-C-O 121.203 0.525 . . . . 0.0 111.761 -172.155 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 12.4 p . . . . . 0 C--O 1.233 0.204 0 CA-C-O 121.064 0.459 . . . . 0.0 110.747 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -70.52 -39.01 74.32 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.668 178.977 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -58.16 -55.25 37.44 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.244 -177.069 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 382' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -70.83 -34.32 71.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.88 -175.739 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 383' ' ' LYS . . . . . 0.409 ' HE3' ' HB3' ' A' ' 403' ' ' LYS . 12.9 mptt -63.99 -52.27 60.37 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 178.839 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -55.7 -43.05 76.08 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.975 -1.011 . . . . 0.0 110.577 178.362 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -66.25 -43.29 86.93 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.105 -178.219 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 386' ' ' ILE . . . . . . . . . . . . . 83.5 mt -69.58 -41.36 80.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.269 -178.935 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 77.7 m -58.77 -45.0 90.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.184 0.516 . . . . 0.0 109.783 174.884 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.95 -25.06 60.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.416 -177.813 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -72.91 -11.52 60.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.036 176.033 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -85.21 -15.62 43.01 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.225 -0.658 . . . . 0.0 109.225 176.775 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 66.6 mttm 59.75 -139.99 0.65 Allowed 'General case' 0 C--O 1.234 0.276 0 CA-C-N 114.806 -1.088 . . . . 0.0 111.455 174.253 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -88.81 6.33 39.45 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.764 179.938 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -75.39 99.21 4.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.044 0.45 . . . . 0.0 110.025 178.253 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -65.53 -44.87 85.55 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.915 -176.705 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -61.62 -42.31 98.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.839 0.352 . . . . 0.0 110.18 -178.631 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 396' ' ' ALA . . . . . 0.476 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -66.26 -40.03 89.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.76 179.043 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 38.9 t -62.45 -48.12 81.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.16 0.505 . . . . 0.0 110.282 177.745 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -63.94 -20.07 65.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.349 -179.429 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -71.9 -62.34 1.46 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.98 0.419 . . . . 0.0 110.229 174.486 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 1.9 pp -81.48 11.62 4.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.601 -176.551 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 401' ' ' LYS . . . . . 0.473 ' HG3' ' O ' ' A' ' 405' ' ' CYS . 65.8 tttt -54.62 -20.62 8.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.462 176.603 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -46.86 -40.62 14.29 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.354 173.039 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 403' ' ' LYS . . . . . 0.409 ' HB3' ' HE3' ' A' ' 383' ' ' LYS . 54.2 mttm -75.6 -16.09 60.27 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.827 -175.452 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 109.77 40.17 1.48 Allowed Glycine 0 N--CA 1.445 -0.745 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.837 -177.214 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 405' ' ' CYS . . . . . 0.572 ' HB3' ' SG ' ' A' ' 414' ' ' CYS . 72.1 m -111.54 104.77 13.2 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 -177.112 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 60.3 t -104.55 119.95 54.22 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.697 -178.678 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 407' ' ' PHE . . . . . 0.42 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 33.6 t80 -69.05 121.09 15.97 Favored 'General case' 0 N--CA 1.436 -1.134 0 C-N-CA 120.245 -0.582 . . . . 0.0 109.617 175.94 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -100.69 124.7 46.67 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 178.995 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 1.6 p -80.88 -29.76 35.63 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.25 0.548 . . . . 0.0 110.995 -179.719 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -71.67 -48.66 46.09 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.757 179.042 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 12.6 t -73.75 -28.84 61.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.525 0.679 . . . . 0.0 109.213 173.59 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 5.7 t30 68.43 50.83 0.69 Allowed 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 114.414 -1.266 . . . . 0.0 111.004 174.113 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -173.12 164.76 4.88 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.968 175.107 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 414' ' ' CYS . . . . . 0.572 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 42.0 t -81.38 111.78 18.06 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.966 0.412 . . . . 0.0 110.063 179.618 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -115.04 169.93 8.73 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.727 -177.692 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.794 HD22 ' HG2' ' A' ' 418' ' ' LYS . 0.9 OUTLIER . . . . . 0 C--N 1.322 -0.597 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 171.168 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 418' ' ' LYS . . . . . 0.794 ' HG2' HD22 ' A' ' 416' ' ' LEU . 9.2 mmpt? . . . . . 0 N--CA 1.457 -0.122 0 CA-C-O 120.765 0.317 . . . . 0.0 110.714 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -79.53 -45.88 18.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.315 -0.402 . . . . 0.0 109.94 -178.275 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 87.5 t -59.56 -42.58 88.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.772 173.633 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -60.98 -44.63 97.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.812 177.509 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -67.17 -42.6 84.01 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.725 -178.027 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -62.49 -41.18 98.63 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.068 0.461 . . . . 0.0 110.391 177.764 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 58.6 tp -67.57 -27.38 66.88 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.451 178.101 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 . . . . . 0 C--N 1.321 -0.659 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.57 178.873 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 12.5 m . . . . . 0 CA--C 1.529 0.163 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -69.96 -36.44 75.23 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.935 0.398 . . . . 0.0 110.819 -178.591 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -65.68 -55.83 15.34 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.315 -174.71 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 382' ' ' ASN . . . . . 0.496 ' O ' HG13 ' A' ' 386' ' ' ILE . 1.5 p30 -73.64 -40.41 63.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.253 -173.222 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -59.41 -50.81 72.52 Favored 'General case' 0 CA--C 1.52 -0.211 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.318 -179.791 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 384' ' ' GLU . . . . . 0.428 ' HG3' HD12 ' A' ' 416' ' ' LEU . 22.7 mt-10 -60.1 -44.24 94.97 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.307 177.693 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 8.2 tmtm? -59.44 -34.99 73.19 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.725 0.297 . . . . 0.0 111.363 -178.26 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 386' ' ' ILE . . . . . 0.496 HG13 ' O ' ' A' ' 382' ' ' ASN . 88.1 mt -65.77 -41.97 91.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.26 0.552 . . . . 0.0 109.545 178.29 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 14.3 m -70.74 -43.57 68.59 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.311 -0.858 . . . . 0.0 110.547 178.211 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -64.45 -26.66 68.54 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.861 -0.608 . . . . 0.0 111.103 -176.613 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -67.18 -23.9 65.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.733 178.738 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -79.38 -32.97 43.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.033 0.444 . . . . 0.0 110.27 -177.918 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm 57.45 -109.77 0.5 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.817 176.444 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -86.73 -18.36 31.34 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.291 -176.784 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -77.31 98.64 5.26 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.596 0.712 . . . . 0.0 111.782 -172.741 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -58.92 -36.69 75.14 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 114.5 -1.227 . . . . 0.0 110.573 177.011 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -66.04 -45.69 80.54 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.153 -178.683 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 396' ' ' ALA . . . . . 0.547 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -62.49 -39.17 92.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.265 178.976 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 49.1 t -62.56 -48.34 79.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.357 178.948 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 398' ' ' GLU . . . . . 0.606 ' HA ' ' HB2' ' A' ' 401' ' ' LYS . 7.2 mm-40 -65.99 -21.25 66.39 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.69 -179.186 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -70.84 -53.35 15.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.083 0.468 . . . . 0.0 110.539 175.505 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 1.3 pp -90.86 12.2 20.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.348 0.594 . . . . 0.0 110.81 -179.014 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 401' ' ' LYS . . . . . 0.606 ' HB2' ' HA ' ' A' ' 398' ' ' GLU . 3.3 tttp -53.19 -37.33 61.85 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.935 -1.03 . . . . 0.0 111.117 178.454 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -57.75 -28.77 64.23 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.51 -178.333 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 57.4 mttm -80.66 -2.18 45.55 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.009 -173.833 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 114.75 29.22 2.7 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.987 176.795 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 405' ' ' CYS . . . . . 0.538 ' O ' ' HG2' ' A' ' 401' ' ' LYS . 95.1 m -113.56 148.49 36.02 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.718 0.294 . . . . 0.0 111.165 -176.934 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 42.1 t -145.48 130.46 12.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.293 174.634 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 407' ' ' PHE . . . . . 0.537 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 28.2 t80 -77.11 124.09 27.32 Favored 'General case' 0 N--CA 1.441 -0.889 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 179.429 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -104.86 106.34 16.79 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 -178.651 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 7.2 p -70.55 -12.72 61.75 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.368 -177.933 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -67.18 -56.39 10.11 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.104 178.819 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 8.6 p -90.96 -10.89 40.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.893 179.648 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 6.0 t30 63.21 70.2 0.55 Allowed 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.41 -0.813 . . . . 0.0 110.502 -178.648 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 5.3 ptmm? -178.1 152.28 0.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.698 177.159 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 414' ' ' CYS . . . . . 0.537 ' HA ' ' HA ' ' A' ' 407' ' ' PHE . 49.9 t -82.59 118.81 23.57 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.084 177.012 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -121.92 176.42 5.79 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.733 -177.836 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.428 HD12 ' HG3' ' A' ' 384' ' ' GLU . 1.0 OUTLIER . . . . . 0 C--O 1.233 0.219 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 174.695 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 27.2 tptp . . . . . 0 CA--C 1.523 -0.068 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -61.07 -57.37 12.82 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.295 -0.866 . . . . 0.0 112.799 -170.902 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 57.1 t -63.89 -47.04 92.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.642 -174.096 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 421' ' ' LYS . . . . . 0.484 ' HD3' ' HG2' ' A' ' 425' ' ' GLU . 16.2 tppt? -64.9 -34.05 77.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.613 0.244 . . . . 0.0 110.865 -178.501 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -57.54 -55.79 30.3 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.281 0.563 . . . . 0.0 110.464 176.846 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -84.76 0.79 49.4 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.484 -174.333 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 41.4 tp -89.01 -41.85 12.11 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 176.074 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 425' ' ' GLU . . . . . 0.484 ' HG2' ' HD3' ' A' ' 421' ' ' LYS . 21.7 mm-40 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.112 178.378 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 379' ' ' SER . . . . . 0.589 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 5.2 p . . . . . 0 N--CA 1.451 -0.422 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -60.85 -44.25 97.23 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -174.262 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -80.23 -48.53 12.94 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.502 -0.479 . . . . 0.0 111.133 -171.196 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 382' ' ' ASN . . . . . 0.44 ' O ' HG13 ' A' ' 386' ' ' ILE . 0.0 OUTLIER -66.45 -31.22 71.83 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -177.388 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 383' ' ' LYS . . . . . 0.589 ' HB2' ' O ' ' A' ' 379' ' ' SER . 11.6 mptt -66.74 -43.08 85.09 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 176.586 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 384' ' ' GLU . . . . . 0.887 ' HG2' ' HB2' ' A' ' 416' ' ' LEU . 48.9 mt-10 -66.08 -39.18 89.82 Favored 'General case' 0 C--O 1.217 -0.633 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.308 175.146 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 50.8 tptt -59.78 -48.43 81.72 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 123.065 0.228 . . . . 0.0 111.462 -178.471 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 386' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 382' ' ' ASN . 80.8 mt -58.46 -45.57 89.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 121.204 0.526 . . . . 0.0 110.281 178.529 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 387' ' ' CYS . . . . . 0.49 ' SG ' ' HB2' ' A' ' 414' ' ' CYS . 18.7 t -65.76 -47.5 75.0 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.537 179.062 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -67.14 -21.66 65.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.558 -177.55 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -64.44 -19.02 65.28 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -179.47 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 390' ' ' ALA . . . . . 0.707 ' HB3' ' SG ' ' A' ' 414' ' ' CYS . . . -84.7 -18.06 36.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.415 0.626 . . . . 0.0 109.596 178.549 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 391' ' ' LYS . . . . . 0.567 ' O ' ' HA ' ' A' ' 413' ' ' LYS . 93.4 mttt 58.63 -114.75 0.77 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 114.732 -1.122 . . . . 0.0 112.323 173.722 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -98.5 0.69 45.61 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 -172.505 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -89.83 93.37 9.41 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 178.795 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 394' ' ' GLN . . . . . 0.544 ' O ' ' HG2' ' A' ' 398' ' ' GLU . 60.5 tt0 -55.63 -39.12 70.41 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.98 -175.681 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -57.38 -40.58 78.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.736 0.303 . . . . 0.0 110.909 -179.209 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 396' ' ' ALA . . . . . 0.474 ' HB3' ' HB1' ' A' ' 390' ' ' ALA . . . -66.66 -38.68 87.34 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.419 -179.218 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 397' ' ' CYS . . . . . 0.627 ' SG ' ' HD2' ' A' ' 407' ' ' PHE . 2.3 m -63.5 -50.74 68.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.715 0.769 . . . . 0.0 109.704 177.901 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 398' ' ' GLU . . . . . 0.601 ' HA ' ' HD3' ' A' ' 401' ' ' LYS . 14.5 mm-40 -67.54 -17.66 64.74 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.037 -178.244 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -68.91 -51.74 36.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.134 0.492 . . . . 0.0 110.261 173.792 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.471 ' HB2' ' HD2' ' A' ' 403' ' ' LYS . 1.5 pp -94.11 18.61 10.48 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.337 178.847 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 401' ' ' LYS . . . . . 0.601 ' HD3' ' HA ' ' A' ' 398' ' ' GLU . 23.7 tptp -39.42 -52.24 2.09 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 114.395 -1.275 . . . . 0.0 113.184 176.708 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -72.0 -1.91 16.31 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 121.042 0.449 . . . . 0.0 112.151 -170.772 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 403' ' ' LYS . . . . . 0.471 ' HD2' ' HB2' ' A' ' 400' ' ' LEU . 96.7 mttt -85.59 3.71 39.46 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.078 0.466 . . . . 0.0 109.952 175.882 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 101.66 32.25 5.18 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.557 -179.694 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 42.9 t -119.51 154.93 33.07 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.785 0.326 . . . . 0.0 110.791 -173.864 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 3.5 p -163.31 127.54 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 175.905 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 407' ' ' PHE . . . . . 0.886 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 50.7 t80 -60.62 124.14 19.5 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 121.431 0.634 . . . . 0.0 110.748 -179.471 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 408' ' ' ASN . . . . . 0.621 ' HB2' ' HB2' ' A' ' 415' ' ' GLU . 34.7 t30 -102.73 95.87 6.48 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.153 -0.931 . . . . 0.0 109.407 -178.464 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 2.8 p -61.7 -25.45 67.42 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.536 -176.561 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -72.06 -20.58 61.65 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.85 -177.876 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 22.9 t -114.5 -7.17 12.84 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.925 176.753 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 67.2 t30 64.97 28.58 12.54 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.505 -179.85 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 413' ' ' LYS . . . . . 0.567 ' HA ' ' O ' ' A' ' 391' ' ' LYS . 23.3 pttp -153.09 153.58 33.13 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.7 176.272 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 414' ' ' CYS . . . . . 0.886 ' HA ' ' HA ' ' A' ' 407' ' ' PHE . 0.0 OUTLIER -65.33 134.46 53.6 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 178.469 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 415' ' ' GLU . . . . . 0.621 ' HB2' ' HB2' ' A' ' 408' ' ' ASN . 2.3 tp10 -119.84 152.43 37.33 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.294 -177.081 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.887 ' HB2' ' HG2' ' A' ' 384' ' ' GLU . 2.3 tt . . . . . 0 C--N 1.326 -0.445 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 174.136 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt . . . . . 0 CA--C 1.52 -0.206 0 CA-C-O 120.771 0.32 . . . . 0.0 111.669 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -63.48 -38.63 91.88 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.579 174.364 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 50.2 t -80.15 -35.81 16.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.935 -176.556 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -62.37 -49.94 73.56 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-O 121.755 0.788 . . . . 0.0 109.719 178.582 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -62.14 -45.81 91.8 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.511 -1.222 . . . . 0.0 110.398 176.815 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 29.1 ttpp -61.21 -35.71 77.93 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.888 178.902 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 65.2 tp -58.59 -49.68 76.57 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.896 -179.027 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 . . . . . 0 CA--C 1.531 0.247 0 C-N-CA 120.253 -0.579 . . . . 0.0 111.116 -179.424 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 379' ' ' SER . . . . . 0.8 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 87.8 p . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 120.455 0.169 . . . . 0.0 111.423 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -63.6 -57.2 10.86 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.609 0.242 . . . . 0.0 111.349 179.914 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -80.12 -37.78 32.89 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.233 -0.587 . . . . 0.0 111.103 -170.629 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 382' ' ' ASN . . . . . 0.477 ' OD1' ' HA ' ' A' ' 379' ' ' SER . 0.4 OUTLIER -75.37 -26.31 58.4 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.311 -0.556 . . . . 0.0 110.849 -176.467 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 383' ' ' LYS . . . . . 0.8 ' HB2' ' O ' ' A' ' 379' ' ' SER . 0.1 OUTLIER -67.89 -53.03 29.71 Favored 'General case' 0 CA--C 1.51 -0.587 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 174.959 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -53.26 -43.07 67.12 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.115 -0.948 . . . . 0.0 111.127 -179.831 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 385' ' ' LYS . . . . . 0.409 ' HD3' ' O ' ' A' ' 385' ' ' LYS . 1.6 tmtp? -61.23 -48.39 81.72 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.025 179.301 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 386' ' ' ILE . . . . . . . . . . . . . 75.5 mt -64.9 -40.59 89.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.31 -178.437 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 387' ' ' CYS . . . . . 0.474 ' O ' ' HB3' ' A' ' 414' ' ' CYS . 65.0 m -59.55 -45.44 91.82 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.001 175.42 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -74.17 -18.23 60.81 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.076 -177.712 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -73.31 -14.83 61.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.164 0.507 . . . . 0.0 110.373 174.712 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 390' ' ' ALA . . . . . 0.566 ' HB2' HD21 ' A' ' 400' ' ' LEU . . . -87.1 -27.38 23.15 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 175.215 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp 61.89 -150.9 0.38 Allowed 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.612 178.029 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 392' ' ' ASP . . . . . 0.577 ' HA ' ' HA ' ' A' ' 413' ' ' LYS . 4.3 p30 -79.32 4.69 14.46 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.845 0.355 . . . . 0.0 111.176 -178.595 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -72.71 107.85 5.39 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 175.481 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.72 -39.03 80.63 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.272 -176.294 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -60.61 -43.46 97.43 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.712 -0.222 . . . . 0.0 110.494 178.517 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 396' ' ' ALA . . . . . 0.523 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -61.42 -38.4 86.97 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.94 0.4 . . . . 0.0 110.381 177.892 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 15.3 t -66.38 -43.61 85.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.016 177.736 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -52.88 -42.0 64.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.247 174.759 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -59.52 -47.15 86.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 -179.113 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.566 HD21 ' HB2' ' A' ' 390' ' ' ALA . 1.4 pp -103.44 19.75 19.14 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.767 -175.64 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 401' ' ' LYS . . . . . 0.67 ' HD3' ' O ' ' A' ' 405' ' ' CYS . 4.4 tppp? -57.23 -37.99 73.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.96 177.049 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -78.08 4.62 11.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.445 -178.464 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 54.5 mttp -102.14 8.68 40.63 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.995 0.426 . . . . 0.0 110.635 177.487 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 98.21 5.82 57.01 Favored Glycine 0 N--CA 1.451 -0.363 0 CA-C-N 115.767 -0.651 . . . . 0.0 113.025 175.586 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 405' ' ' CYS . . . . . 0.677 ' HB3' ' SG ' ' A' ' 414' ' ' CYS . 91.7 m -91.05 137.34 32.44 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.832 0.349 . . . . 0.0 110.981 -179.208 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 97.4 t -129.46 135.02 62.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.534 179.865 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 407' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -70.74 130.6 42.17 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.111 0.482 . . . . 0.0 110.764 -178.764 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 52.6 t-20 -103.14 123.56 46.92 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.116 178.575 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 11.9 p -81.43 -36.86 28.95 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.858 -177.51 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -71.99 -45.03 62.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.698 -178.405 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 16.2 m -81.03 -24.6 37.78 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.267 177.457 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 54.9 t30 64.52 71.86 0.46 Allowed 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.714 0.769 . . . . 0.0 110.058 177.469 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 413' ' ' LYS . . . . . 0.577 ' HA ' ' HA ' ' A' ' 392' ' ' ASP . 17.2 ptpt 177.63 158.76 0.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.671 -1.15 . . . . 0.0 108.864 -176.74 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 414' ' ' CYS . . . . . 0.677 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 11.4 t -77.04 125.71 29.78 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 172.27 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -136.61 153.6 50.9 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.819 0.342 . . . . 0.0 111.059 -172.007 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.54 HD13 ' HB3' ' A' ' 383' ' ' LYS . 67.7 tp . . . . . 0 C--N 1.324 -0.515 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 174.53 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 418' ' ' LYS . . . . . 0.496 ' C ' ' HD2' ' A' ' 418' ' ' LYS . 1.2 tmmt? . . . . . 0 CA--C 1.515 -0.399 0 CA-C-O 121.07 0.462 . . . . 0.0 110.794 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -56.9 -34.87 68.35 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.691 -173.058 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 46.4 t -79.16 -42.44 23.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.552 -178.644 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 421' ' ' LYS . . . . . 0.419 ' HD3' ' HA ' ' A' ' 421' ' ' LYS . 7.2 tppt? -71.48 -40.25 70.36 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.126 0.489 . . . . 0.0 110.403 -178.207 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -58.68 -50.31 74.34 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.787 178.228 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -82.6 -0.4 46.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.858 0.361 . . . . 0.0 111.664 -178.388 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 53.6 tp -87.14 -47.96 8.45 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 169.374 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 . . . . . 0 C--N 1.326 -0.453 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.108 -179.63 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 19.8 m . . . . . 0 N--CA 1.45 -0.439 0 CA-C-O 121.153 0.501 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 380' ' ' ALA . . . . . 0.486 ' HB1' ' HD3' ' A' ' 418' ' ' LYS . . . -75.69 -35.07 60.42 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.292 177.391 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -66.51 -46.25 76.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.778 -178.842 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 382' ' ' ASN . . . . . 0.528 ' O ' HG13 ' A' ' 386' ' ' ILE . 1.0 OUTLIER -72.9 -34.52 66.69 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.607 -177.426 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 383' ' ' LYS . . . . . 0.444 ' HB3' HD13 ' A' ' 416' ' ' LEU . 1.4 mptm? -63.96 -44.68 92.04 Favored 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 177.367 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -53.28 -43.31 67.39 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.732 -1.122 . . . . 0.0 110.138 175.62 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -68.19 -35.61 78.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.299 -179.811 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 386' ' ' ILE . . . . . 0.528 HG13 ' O ' ' A' ' 382' ' ' ASN . 82.4 mt -64.32 -43.44 97.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.381 0.61 . . . . 0.0 109.565 179.419 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 22.0 m -63.21 -39.47 94.71 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.231 176.88 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 388' ' ' ASN . . . . . 0.432 ' O ' ' HG3' ' A' ' 391' ' ' LYS . 6.4 m-20 -70.31 -19.52 63.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.384 179.446 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -72.06 -21.83 61.47 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.757 0.313 . . . . 0.0 111.242 175.06 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -91.66 -41.08 10.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.915 0.388 . . . . 0.0 110.857 -178.932 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 391' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' A' ' 388' ' ' ASN . 62.6 mttp 57.72 -104.18 0.21 Allowed 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.896 179.034 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -100.76 -3.47 29.99 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.73 0.3 . . . . 0.0 111.168 -174.813 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 45.2 t-20 -78.84 91.47 4.75 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 179.154 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -59.78 -40.54 88.62 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.296 -0.866 . . . . 0.0 111.679 -177.596 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 395' ' ' LYS . . . . . 0.45 ' O ' ' HB3' ' A' ' 399' ' ' ASN . 0.1 OUTLIER -61.15 -48.27 82.37 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -179.3 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 396' ' ' ALA . . . . . 0.718 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -59.53 -42.94 93.43 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.103 177.09 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 41.9 t -57.8 -56.34 23.28 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.962 179.214 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 398' ' ' GLU . . . . . 0.554 ' HA ' ' HB2' ' A' ' 401' ' ' LYS . 41.0 mt-10 -61.92 -32.9 73.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.11 0.481 . . . . 0.0 110.966 -179.434 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 399' ' ' ASN . . . . . 0.45 ' HB3' ' O ' ' A' ' 395' ' ' LYS . 0.0 OUTLIER -67.21 -28.49 68.12 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.033 179.91 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.718 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 3.2 pp -115.8 17.38 16.1 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-O 121.12 0.486 . . . . 0.0 111.059 176.774 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 401' ' ' LYS . . . . . 0.554 ' HB2' ' HA ' ' A' ' 398' ' ' GLU . 13.6 tmtt? -56.22 -29.65 61.28 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.616 178.132 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -50.3 -32.8 17.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.8 177.016 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -75.98 -14.93 60.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.715 -0.22 . . . . 0.0 111.364 -175.946 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 120.93 -0.53 11.85 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.302 179.268 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 405' ' ' CYS . . . . . 0.52 ' O ' ' HG2' ' A' ' 401' ' ' LYS . 73.4 m -81.3 117.62 21.94 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.09 0.471 . . . . 0.0 111.116 -178.763 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 406' ' ' VAL . . . . . 0.413 HG22 ' HE2' ' A' ' 401' ' ' LYS . 34.8 t -114.46 129.59 70.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.372 178.897 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 407' ' ' PHE . . . . . 0.472 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 29.2 t80 -71.16 125.04 25.86 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-O 121.302 0.573 . . . . 0.0 109.849 179.212 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 408' ' ' ASN . . . . . 0.512 ' O ' ' HA ' ' A' ' 412' ' ' ASN . 13.8 t-20 -98.53 128.03 44.69 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.865 -178.414 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 11.7 p -90.33 -17.73 26.81 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.738 0.304 . . . . 0.0 111.575 -179.043 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -61.79 -57.56 11.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.653 -177.867 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 47.1 m -96.7 -11.62 24.88 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.604 174.288 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 412' ' ' ASN . . . . . 0.512 ' HA ' ' O ' ' A' ' 408' ' ' ASN . 6.8 t30 66.62 75.63 0.32 Allowed 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.488 176.341 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 17.5 ptmt -172.39 156.52 3.79 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.919 -1.037 . . . . 0.0 109.166 -179.251 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 414' ' ' CYS . . . . . 0.509 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 45.2 t -89.0 117.06 27.74 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 178.859 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -131.49 171.34 13.53 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 178.641 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.618 HD23 ' HE3' ' A' ' 418' ' ' LYS . 47.6 tp . . . . . 0 C--N 1.321 -0.666 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 -176.836 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 418' ' ' LYS . . . . . 0.618 ' HE3' HD23 ' A' ' 416' ' ' LEU . 18.4 ttpp . . . . . 0 CA--C 1.519 -0.213 0 CA-C-O 121.335 0.588 . . . . 0.0 111.4 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 419' ' ' ASP . . . . . 0.406 ' O ' ' HG3' ' A' ' 423' ' ' LYS . 4.2 m-20 -77.76 -36.76 50.31 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 114.91 -1.041 . . . . 0.0 110.992 -171.434 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 21.4 t -62.65 -43.81 98.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.659 176.393 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -64.97 -45.39 85.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.639 176.974 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -55.68 -48.74 74.55 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.26 -178.516 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 423' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 419' ' ' ASP . 93.9 mttt -66.4 -29.48 69.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.104 0.478 . . . . 0.0 110.753 179.636 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 50.6 tp -72.79 -45.65 57.4 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.343 178.574 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 . . . . . 0 C--N 1.327 -0.404 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.354 179.586 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 379' ' ' SER . . . . . 0.639 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 23.2 p . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.797 0.332 . . . . 0.0 110.677 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 380' ' ' ALA . . . . . 0.564 ' O ' ' HB2' ' A' ' 384' ' ' GLU . . . -57.4 -44.68 84.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.151 179.492 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -64.55 -56.23 15.36 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.625 -177.955 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 382' ' ' ASN . . . . . 0.55 ' O ' HG13 ' A' ' 386' ' ' ILE . 2.2 p30 -77.11 -36.38 55.59 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -171.631 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 383' ' ' LYS . . . . . 0.639 ' HB2' ' O ' ' A' ' 379' ' ' SER . 13.8 mptt -69.27 -42.74 75.13 Favored 'General case' 0 CA--C 1.52 -0.2 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.446 -178.91 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 384' ' ' GLU . . . . . 0.564 ' HB2' ' O ' ' A' ' 380' ' ' ALA . 11.0 mm-40 -59.45 -44.23 93.0 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-N 116.235 -0.439 . . . . 0.0 109.969 174.865 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.01 -33.82 69.35 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.801 0.334 . . . . 0.0 111.005 -179.776 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 386' ' ' ILE . . . . . 0.68 HG22 HD13 ' A' ' 400' ' ' LEU . 87.3 mt -65.75 -40.21 87.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.394 0.616 . . . . 0.0 109.596 178.769 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 75.3 m -74.63 -44.88 48.33 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.193 178.176 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -66.92 -29.12 68.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.928 -174.902 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -67.54 -16.11 64.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.889 0.376 . . . . 0.0 111.271 178.578 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -98.41 -25.89 14.65 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.694 178.236 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 97.3 mttt 61.39 -89.2 0.03 OUTLIER 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.438 -178.958 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -121.56 11.2 10.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.85 -175.422 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -80.97 90.54 5.96 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.075 -0.65 . . . . 0.0 110.184 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 394' ' ' GLN . . . . . 0.498 ' O ' ' HG3' ' A' ' 398' ' ' GLU . 48.2 tt0 -52.09 -49.84 62.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.591 -0.731 . . . . 0.0 112.057 -178.264 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 47.6 tttp -59.48 -45.14 92.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.822 -171.742 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 396' ' ' ALA . . . . . 0.444 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -63.92 -34.2 77.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.64 0.733 . . . . 0.0 110.153 -179.665 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 81.6 m -78.6 -28.93 45.78 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.432 -178.692 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 398' ' ' GLU . . . . . 0.592 ' O ' ' HB2' ' A' ' 401' ' ' LYS . 45.3 mt-10 -64.81 -26.92 68.55 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.045 0.45 . . . . 0.0 110.089 171.772 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -74.83 -31.23 61.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.458 0.647 . . . . 0.0 109.519 173.041 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.68 HD13 HG22 ' A' ' 386' ' ' ILE . 29.3 mt -88.71 -0.63 57.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.765 178.872 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 401' ' ' LYS . . . . . 0.592 ' HB2' ' O ' ' A' ' 398' ' ' GLU . 4.6 tmtp? -55.25 -44.84 75.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.26 -174.803 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -69.45 -15.86 63.36 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.969 -176.292 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -83.73 -6.45 59.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.886 178.385 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 106.61 -2.71 36.55 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.705 -0.76 . . . . 0.0 111.933 -179.017 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 405' ' ' CYS . . . . . 0.55 ' O ' ' HA ' ' A' ' 401' ' ' LYS . 22.9 t -85.07 111.94 20.2 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 179.763 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 61.9 t -111.68 125.68 69.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.362 -176.659 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 407' ' ' PHE . . . . . 0.534 ' HD2' ' SG ' ' A' ' 414' ' ' CYS . 34.0 t80 -71.7 119.25 15.59 Favored 'General case' 0 N--CA 1.436 -1.13 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 170.576 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -107.68 106.14 16.32 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.719 -175.132 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -65.26 -22.83 66.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.694 0.283 . . . . 0.0 111.402 -178.735 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -62.04 -36.15 80.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.397 0.618 . . . . 0.0 110.096 171.874 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 12.4 t -98.77 -12.17 21.16 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.148 -176.546 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 8.9 t30 55.91 35.57 25.71 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.266 -176.999 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 10.2 ptpp? -160.17 167.49 27.54 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.88 178.074 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 414' ' ' CYS . . . . . 0.534 ' SG ' ' HD2' ' A' ' 407' ' ' PHE . 35.3 m -77.87 122.85 26.01 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.689 173.774 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -134.84 132.42 38.59 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 -174.273 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.442 HD13 ' HB3' ' A' ' 383' ' ' LYS . 64.3 tp . . . . . 0 C--N 1.33 -0.253 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.105 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 21.5 pttp . . . . . 0 CA--C 1.523 -0.076 0 CA-C-O 121.241 0.543 . . . . 0.0 112.375 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -71.8 -30.3 65.38 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.755 -173.954 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 67.3 t -75.33 -41.01 43.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 174.891 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 5.6 tppp? -57.25 -45.65 83.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.205 0.526 . . . . 0.0 110.227 176.703 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -53.69 -54.79 32.95 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.879 178.268 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -70.36 -27.78 64.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.805 -177.234 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 29.3 tp -76.73 -39.61 51.27 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.961 -176.528 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 . . . . . 0 C--N 1.328 -0.369 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.208 178.44 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 379' ' ' SER . . . . . 0.524 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 16.8 m . . . . . 0 N--CA 1.452 -0.369 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 . . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 380' ' ' ALA . . . . . 0.473 ' HB2' ' HE3' ' A' ' 421' ' ' LYS . . . -69.26 -42.04 76.12 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.875 0.369 . . . . 0.0 110.433 178.332 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -58.88 -64.0 1.09 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.65 -179.123 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 382' ' ' ASN . . . . . 0.571 ' O ' HG13 ' A' ' 386' ' ' ILE . 2.9 p30 -70.05 -35.02 73.95 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -170.384 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 383' ' ' LYS . . . . . 0.524 ' HB2' ' O ' ' A' ' 379' ' ' SER . 14.0 mptt -69.32 -40.38 77.64 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.072 0.463 . . . . 0.0 110.505 -177.162 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 384' ' ' GLU . . . . . 0.506 ' HA ' ' HB2' ' A' ' 416' ' ' LEU . 17.7 tt0 -69.78 -31.26 69.1 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.643 -179.404 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -72.32 -27.54 62.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.694 176.493 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 386' ' ' ILE . . . . . 0.571 HG13 ' O ' ' A' ' 382' ' ' ASN . 68.7 mt -67.86 -45.96 83.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 177.718 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 24.6 m -67.68 -32.55 73.28 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.531 176.943 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -70.47 -23.74 62.75 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.137 178.01 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -66.85 -19.33 65.72 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.888 0.375 . . . . 0.0 110.889 176.087 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -81.29 -25.92 36.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.122 0.487 . . . . 0.0 109.827 178.598 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 95.1 mttt 59.91 -138.2 0.68 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.964 175.822 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 392' ' ' ASP . . . . . 0.445 ' HA ' ' HA ' ' A' ' 413' ' ' LYS . 4.6 p-10 -81.02 9.12 7.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.541 -177.411 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -94.35 99.51 11.71 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.717 179.756 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 394' ' ' GLN . . . . . 0.427 ' O ' ' HG2' ' A' ' 398' ' ' GLU . 10.3 tt0 -65.89 -38.75 89.59 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.373 178.33 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -59.71 -45.7 91.33 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 121.021 0.439 . . . . 0.0 110.172 -177.351 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 396' ' ' ALA . . . . . 0.459 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -62.65 -40.74 98.0 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.516 178.912 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 397' ' ' CYS . . . . . 0.523 ' HA ' HD11 ' A' ' 400' ' ' LEU . 2.0 t -71.38 -38.07 71.55 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.595 -177.589 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 398' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 394' ' ' GLN . 26.2 mm-40 -57.53 -34.32 69.0 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.833 0.349 . . . . 0.0 111.019 175.768 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -69.61 -41.13 76.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.499 179.075 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.523 HD11 ' HA ' ' A' ' 397' ' ' CYS . 2.0 pp -100.15 15.09 28.57 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.178 0.513 . . . . 0.0 111.328 179.983 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 401' ' ' LYS . . . . . 0.458 ' HG3' ' O ' ' A' ' 405' ' ' CYS . 79.5 tttt -68.11 -13.01 61.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.374 -177.666 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 402' ' ' GLU . . . . . 0.761 ' HG3' ' HD2' ' A' ' 403' ' ' LYS . 8.7 pt-20 -57.59 -19.42 25.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.598 177.621 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 403' ' ' LYS . . . . . 0.761 ' HD2' ' HG3' ' A' ' 402' ' ' GLU . 0.8 OUTLIER -77.99 -53.5 7.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.73 0.3 . . . . 0.0 110.352 176.602 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 404' ' ' GLY . . . . . 0.465 ' O ' HD12 ' A' ' 416' ' ' LEU . . . 148.56 47.51 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.582 -0.818 . . . . 0.0 111.954 177.097 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 405' ' ' CYS . . . . . 0.458 ' O ' ' HG3' ' A' ' 401' ' ' LYS . 53.6 m -106.15 148.35 27.96 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 120.696 0.284 . . . . 0.0 110.411 -175.955 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 8.7 p -133.89 131.71 56.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 178.128 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 407' ' ' PHE . . . . . 0.628 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 30.3 t80 -84.76 124.28 31.37 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-O 120.872 0.367 . . . . 0.0 110.114 -179.582 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -99.33 109.59 22.19 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 178.259 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 8.8 p -70.42 -18.63 63.02 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.767 -174.276 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -75.11 -43.07 54.88 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.397 -177.274 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 21.1 p -85.48 -18.46 33.47 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 174.177 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 64.35 53.28 1.72 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 114.761 -1.109 . . . . 0.0 109.97 -179.226 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 413' ' ' LYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 392' ' ' ASP . 62.1 pttt -164.41 163.75 22.21 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.604 173.515 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 414' ' ' CYS . . . . . 0.628 ' HA ' ' HA ' ' A' ' 407' ' ' PHE . 14.5 t -99.59 137.9 37.43 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.962 0.411 . . . . 0.0 111.072 -175.566 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -133.64 160.92 36.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.786 -178.039 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.642 ' O ' ' HE2' ' A' ' 418' ' ' LYS . 18.2 tp . . . . . 0 C--N 1.326 -0.454 0 CA-C-O 120.762 0.315 . . . . 0.0 110.244 178.149 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 418' ' ' LYS . . . . . 0.642 ' HE2' ' O ' ' A' ' 416' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.173 0 CA-C-O 120.947 0.403 . . . . 0.0 111.432 . . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -62.39 -38.51 89.89 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.936 174.047 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 58.2 t -75.96 -39.85 37.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.077 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 421' ' ' LYS . . . . . 0.473 ' HE3' ' HB2' ' A' ' 380' ' ' ALA . 58.4 tttm -56.26 -37.94 70.48 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.548 0.689 . . . . 0.0 110.046 174.543 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -60.59 -47.94 83.99 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.737 -1.119 . . . . 0.0 110.768 176.884 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.94 -13.83 59.74 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.582 -178.252 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 58.0 tp -79.98 -60.42 2.35 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.278 178.611 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 . . . . . 0 C--N 1.327 -0.404 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.221 -178.97 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 379' ' ' SER . . . . . 0.684 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 14.2 m . . . . . 0 N--CA 1.455 -0.214 0 CA-C-O 120.819 0.342 . . . . 0.0 110.681 . . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 380' ' ' ALA . . . . . 0.587 ' HB2' ' HE2' ' A' ' 421' ' ' LYS . . . -67.9 -42.12 81.64 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.259 -179.14 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -64.55 -47.49 78.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.617 -174.309 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 382' ' ' ASN . . . . . 0.543 ' O ' HG13 ' A' ' 386' ' ' ILE . 1.8 p30 -77.85 -33.15 52.33 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.869 -177.109 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 383' ' ' LYS . . . . . 0.684 ' HB2' ' O ' ' A' ' 379' ' ' SER . 12.2 mptt -70.48 -46.09 64.43 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-O 121.272 0.558 . . . . 0.0 109.849 -176.976 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -61.18 -39.25 89.44 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.153 -0.931 . . . . 0.0 109.611 178.145 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.59 -37.14 77.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.633 176.658 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 386' ' ' ILE . . . . . 0.598 HG21 ' HG2' ' A' ' 403' ' ' LYS . 94.7 mt -67.34 -43.51 87.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.254 0.549 . . . . 0.0 109.858 179.034 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 34.5 m -65.48 -37.77 87.8 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.273 176.639 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -69.99 -22.29 63.15 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.686 179.042 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -67.63 -16.49 64.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.857 0.36 . . . . 0.0 111.076 174.928 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -90.94 -18.46 24.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.672 176.103 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 60.7 mttp 59.11 -123.98 1.27 Allowed 'General case' 0 C--O 1.232 0.153 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.625 177.452 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -99.23 11.2 39.75 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.878 -175.677 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 393' ' ' ASN . . . . . 0.404 ' OD1' ' HB3' ' A' ' 395' ' ' LYS . 44.2 t-20 -94.48 114.04 25.98 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.19 0.519 . . . . 0.0 109.967 179.976 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -72.13 -39.56 68.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.798 -176.764 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 395' ' ' LYS . . . . . 0.404 ' HB3' ' OD1' ' A' ' 393' ' ' ASN . 75.4 tttt -56.18 -53.59 55.27 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.046 175.768 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 396' ' ' ALA . . . . . 0.425 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -60.75 -38.15 84.2 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.782 179.35 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 53.6 t -57.43 -53.62 56.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.731 178.64 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 398' ' ' GLU . . . . . 0.923 ' HA ' ' HB2' ' A' ' 401' ' ' LYS . 14.6 mt-10 -69.15 -14.9 63.25 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.911 -178.258 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -70.48 -38.76 74.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.763 0.316 . . . . 0.0 110.356 173.511 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 1.4 pp -107.46 13.87 26.45 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.467 0.651 . . . . 0.0 111.116 179.687 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 401' ' ' LYS . . . . . 0.923 ' HB2' ' HA ' ' A' ' 398' ' ' GLU . 85.6 tttt -55.8 -27.71 52.55 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.812 -1.086 . . . . 0.0 113.685 -177.807 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.02 -17.34 51.68 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -178.465 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 403' ' ' LYS . . . . . 0.598 ' HG2' HG21 ' A' ' 386' ' ' ILE . 13.2 mptt -74.16 -19.3 60.6 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.979 0.419 . . . . 0.0 110.222 176.769 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 404' ' ' GLY . . . . . 0.505 ' O ' HD12 ' A' ' 416' ' ' LEU . . . 116.28 37.22 1.03 Allowed Glycine 0 N--CA 1.447 -0.604 0 N-CA-C 111.27 -0.732 . . . . 0.0 111.27 -178.912 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 405' ' ' CYS . . . . . 0.672 ' HB2' ' HA ' ' A' ' 401' ' ' LYS . 82.4 m -103.06 133.79 47.58 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-O 121.171 0.51 . . . . 0.0 110.912 -170.687 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 13.1 p -130.55 134.07 62.7 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.607 177.546 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 407' ' ' PHE . . . . . 0.41 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 28.0 t80 -81.8 120.33 25.02 Favored 'General case' 0 N--CA 1.433 -1.288 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 175.794 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 408' ' ' ASN . . . . . 0.453 HD21 ' HG2' ' A' ' 410' ' ' GLU . 3.2 t-20 -103.11 114.68 29.18 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.578 -177.311 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 15.6 p -63.59 -27.62 69.37 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.161 0.505 . . . . 0.0 111.383 -178.944 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 410' ' ' GLU . . . . . 0.453 ' HG2' HD21 ' A' ' 408' ' ' ASN . 3.4 mm-40 -76.69 -37.74 55.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.161 -177.133 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 41.2 t -88.44 -19.67 26.21 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.184 178.569 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 66.5 t30 68.09 23.65 7.99 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.337 178.799 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 43.1 mttp -139.16 165.8 26.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.373 -179.115 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 414' ' ' CYS . . . . . 0.602 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 40.8 t -91.37 120.85 32.58 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 168.564 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -135.1 167.25 21.32 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.755 0.312 . . . . 0.0 110.752 -178.973 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.505 HD12 ' O ' ' A' ' 404' ' ' GLY . 44.9 tp . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.735 176.748 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 418' ' ' LYS . . . . . 0.636 ' HA ' ' HE2' ' A' ' 418' ' ' LYS . 11.8 mmpt? . . . . . 0 C--O 1.233 0.205 0 CA-C-O 121.479 0.657 . . . . 0.0 110.588 . . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -58.13 -51.15 70.9 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.354 -1.294 . . . . 0.0 111.596 179.886 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 92.7 t -66.05 -54.77 23.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.216 -176.223 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 421' ' ' LYS . . . . . 0.587 ' HE2' ' HB2' ' A' ' 380' ' ' ALA . 5.7 tmtm? -52.86 -44.07 66.54 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.178 0.513 . . . . 0.0 111.878 -175.36 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -74.57 -49.14 22.95 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.52 -175.375 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -84.25 -6.29 59.37 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -172.452 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 64.7 tp -92.49 -49.32 6.19 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 175.009 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 . . . . . 0 C--N 1.328 -0.342 0 CA-C-O 121.066 0.46 . . . . 0.0 111.57 -177.592 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 379' ' ' SER . . . . . 0.682 ' HB2' HD13 ' A' ' 424' ' ' LEU . 14.4 p . . . . . 0 N--CA 1.45 -0.467 0 CA-C-O 120.786 0.327 . . . . 0.0 111.604 . . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -65.77 -38.5 89.23 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.167 -0.469 . . . . 0.0 112.171 -174.884 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -74.83 -52.96 10.03 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.879 0.371 . . . . 0.0 110.994 -170.98 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 382' ' ' ASN . . . . . 0.454 ' O ' HG13 ' A' ' 386' ' ' ILE . 0.0 OUTLIER -70.15 -29.22 66.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.931 -176.263 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 383' ' ' LYS . . . . . 0.599 ' HB2' ' O ' ' A' ' 379' ' ' SER . 12.0 tptt -63.97 -49.46 72.42 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 178.391 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -57.38 -39.36 75.9 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.259 175.463 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 3.5 tmtp? -57.98 -43.31 86.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.474 179.654 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 386' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 382' ' ' ASN . 76.2 mt -64.16 -41.74 93.38 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-O 121.319 0.58 . . . . 0.0 109.705 -179.063 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 387' ' ' CYS . . . . . 0.413 ' O ' ' HB3' ' A' ' 414' ' ' CYS . 34.5 m -67.41 -41.97 84.04 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.69 178.279 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -66.22 -30.43 70.88 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.804 0.335 . . . . 0.0 110.146 179.561 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -71.34 -4.98 29.06 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.877 178.475 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 390' ' ' ALA . . . . . 0.408 ' HB2' HD21 ' A' ' 400' ' ' LEU . . . -93.43 -14.12 27.15 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 176.482 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt 61.85 -149.65 0.39 Allowed 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.417 175.79 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 392' ' ' ASP . . . . . 0.42 ' HB3' ' HD3' ' A' ' 413' ' ' LYS . 3.7 p-10 -89.81 7.2 38.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.767 178.412 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -80.43 101.75 9.22 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.736 175.98 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 394' ' ' GLN . . . . . 0.561 ' O ' ' HG2' ' A' ' 398' ' ' GLU . 34.2 tt0 -63.64 -35.68 81.33 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.949 -177.442 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -60.63 -45.4 94.19 Favored 'General case' 0 C--O 1.233 0.204 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 -177.463 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 396' ' ' ALA . . . . . 0.607 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -60.82 -44.74 96.5 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.403 176.775 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 31.6 t -61.52 -50.4 72.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.813 179.819 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 398' ' ' GLU . . . . . 0.561 ' HG2' ' O ' ' A' ' 394' ' ' GLN . 70.0 mm-40 -53.54 -40.37 65.47 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.159 0.504 . . . . 0.0 110.908 178.476 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -74.21 -24.59 59.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.734 -0.666 . . . . 0.0 112.27 -174.153 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.607 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 2.7 pp -112.12 11.58 20.41 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 121.866 -0.521 . . . . 0.0 111.293 176.355 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 23.5 ttpp -61.77 -25.71 67.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.181 -178.025 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 402' ' ' GLU . . . . . 0.526 ' OE1' ' HG3' ' A' ' 403' ' ' LYS . 0.5 OUTLIER -65.93 -5.22 8.66 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -179.909 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 403' ' ' LYS . . . . . 0.526 ' HG3' ' OE1' ' A' ' 402' ' ' GLU . 53.6 mttp -97.43 -1.24 44.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.638 -0.255 . . . . 0.0 111.382 174.121 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 106.83 23.04 7.31 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.991 176.768 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 405' ' ' CYS . . . . . 0.514 ' HB3' ' SG ' ' A' ' 414' ' ' CYS . 74.9 m -109.07 110.22 21.43 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.857 0.36 . . . . 0.0 110.722 -179.575 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 58.2 t -111.06 129.88 65.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.787 -179.465 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 407' ' ' PHE . . . . . 0.467 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 47.2 t80 -64.36 130.62 44.5 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-O 121.201 0.524 . . . . 0.0 110.633 -178.448 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -109.03 108.42 19.13 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.971 -178.586 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 1.1 p -68.61 -22.3 64.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.457 -178.433 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -56.91 -49.49 75.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.602 178.153 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 20.7 t -99.41 -8.75 24.33 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.02 0.438 . . . . 0.0 110.039 178.796 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 4.7 t30 61.62 41.81 11.81 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.687 -176.917 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 413' ' ' LYS . . . . . 0.42 ' HD3' ' HB3' ' A' ' 392' ' ' ASP . 72.9 mmtt -142.12 159.62 41.87 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.27 179.364 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 414' ' ' CYS . . . . . 0.514 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 48.3 t -78.04 127.59 32.56 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 176.344 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -124.63 151.54 44.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.04 -171.842 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.497 HD22 ' HB3' ' A' ' 383' ' ' LYS . 50.9 tp . . . . . 0 C--N 1.328 -0.358 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 176.045 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 418' ' ' LYS . . . . . 0.569 ' HA ' ' HB3' ' A' ' 421' ' ' LYS . 54.8 mtmt . . . . . 0 N--CA 1.454 -0.244 0 CA-C-O 120.88 0.372 . . . . 0.0 111.272 . . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -68.83 -48.04 64.53 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.84 172.215 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 420' ' ' VAL . . . . . 0.538 HG12 HD23 ' A' ' 424' ' ' LEU . 64.0 t -66.79 -41.25 87.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.758 176.479 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 421' ' ' LYS . . . . . 0.569 ' HB3' ' HA ' ' A' ' 418' ' ' LYS . 19.2 ttmm -53.0 -47.77 68.02 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.748 175.655 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -54.05 -48.94 70.05 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.68 178.383 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -64.12 -46.01 86.06 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.137 -178.841 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 424' ' ' LEU . . . . . 0.682 HD13 ' HB2' ' A' ' 379' ' ' SER . 4.1 pp -74.81 -28.29 60.65 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -175.5 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 425' ' ' GLU . . . . . 0.513 ' N ' HD12 ' A' ' 424' ' ' LEU . 30.3 mt-10 . . . . . 0 C--N 1.329 -0.306 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.588 178.181 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 379' ' ' SER . . . . . 0.507 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 24.6 m . . . . . 0 N--CA 1.455 -0.199 0 CA-C-O 120.687 0.279 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -67.41 -43.75 80.51 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.046 178.565 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -58.78 -55.17 38.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.668 -0.697 . . . . 0.0 112.28 -176.698 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 382' ' ' ASN . . . . . 0.538 ' O ' HG13 ' A' ' 386' ' ' ILE . 2.3 p30 -72.2 -34.22 68.21 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 121.076 -0.249 . . . . 0.0 111.033 -174.5 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 383' ' ' LYS . . . . . 0.667 ' HB3' HD21 ' A' ' 416' ' ' LEU . 11.1 mptt -71.5 -43.05 67.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.794 0.33 . . . . 0.0 110.409 179.723 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 384' ' ' GLU . . . . . 0.469 ' HG3' HD12 ' A' ' 416' ' ' LEU . 17.0 mt-10 -59.04 -37.25 76.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.447 174.769 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 53.4 tptt -67.06 -30.87 71.05 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.621 177.939 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 386' ' ' ILE . . . . . 0.538 HG13 ' O ' ' A' ' 382' ' ' ASN . 91.4 mt -71.35 -44.41 72.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 177.65 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 21.3 m -65.54 -38.17 88.86 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.038 175.953 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -70.77 -19.25 62.73 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.175 179.566 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -70.4 -20.46 62.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.664 174.589 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 390' ' ' ALA . . . . . 0.462 ' HB2' HD21 ' A' ' 400' ' ' LEU . . . -81.0 -24.4 37.99 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 178.002 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? 60.82 -137.87 0.59 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.013 -0.994 . . . . 0.0 111.285 173.081 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -87.02 5.91 35.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.458 -177.592 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 55.2 t-20 -87.63 107.68 18.72 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 177.83 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -65.85 -38.67 89.49 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.461 -178.24 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 395' ' ' LYS . . . . . 0.564 ' O ' ' HG2' ' A' ' 398' ' ' GLU . 36.1 mtmm -61.37 -48.74 79.9 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.515 179.245 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 396' ' ' ALA . . . . . 0.532 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -60.79 -34.48 74.57 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.05 0.452 . . . . 0.0 110.515 179.8 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 52.5 t -66.21 -49.93 65.6 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.806 177.612 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 398' ' ' GLU . . . . . 0.564 ' HG2' ' O ' ' A' ' 395' ' ' LYS . 8.8 pt-20 -62.27 -27.75 69.24 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.051 -177.991 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 26.8 m-80 -62.58 -59.18 5.29 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.446 174.284 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 1.8 pp -84.3 11.29 8.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.035 0.445 . . . . 0.0 111.609 -178.262 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 401' ' ' LYS . . . . . 0.472 ' HB2' ' HA ' ' A' ' 398' ' ' GLU . 46.3 tttm -62.39 -17.57 59.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.841 177.758 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -57.42 -30.05 64.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.678 175.199 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -84.54 -2.2 56.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.937 -178.14 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 95.66 38.4 4.71 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.345 -179.806 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 405' ' ' CYS . . . . . 0.569 ' HB3' ' SG ' ' A' ' 414' ' ' CYS . 79.2 m -108.46 118.48 36.9 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 179.171 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 406' ' ' VAL . . . . . 0.513 HG11 HG21 ' A' ' 420' ' ' VAL . 8.6 p -112.98 137.03 47.4 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 -178.971 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 407' ' ' PHE . . . . . 0.477 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 30.4 t80 -85.59 126.05 33.59 Favored 'General case' 0 N--CA 1.439 -0.998 0 CA-C-O 121.262 0.553 . . . . 0.0 110.222 -179.596 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -109.62 113.18 25.73 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.546 176.554 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 2.5 p -70.92 -19.55 62.58 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.85 177.101 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -56.22 -62.93 1.38 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.669 179.612 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 9.5 t -89.49 -4.97 57.71 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.601 0.715 . . . . 0.0 109.393 175.787 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 59.89 67.71 0.85 Allowed 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 114.602 -1.181 . . . . 0.0 111.698 178.649 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 15.8 pttp -170.02 175.02 5.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.223 171.434 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 414' ' ' CYS . . . . . 0.569 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 49.8 t -100.47 126.4 46.88 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 176.366 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -133.93 176.8 8.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.903 0.382 . . . . 0.0 110.98 -178.977 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.667 HD21 ' HB3' ' A' ' 383' ' ' LYS . 8.2 mt . . . . . 0 C--N 1.325 -0.467 0 CA-C-O 121.112 0.482 . . . . 0.0 111.375 -179.964 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt . . . . . 0 CA--C 1.519 -0.227 0 CA-C-O 121.208 0.528 . . . . 0.0 111.79 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -76.57 -39.95 51.14 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.162 -0.926 . . . . 0.0 111.029 -173.609 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 420' ' ' VAL . . . . . 0.513 HG21 HG11 ' A' ' 406' ' ' VAL . 58.5 t -66.76 -43.61 89.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.858 -178.259 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 18.2 ttmm -69.64 -39.39 77.14 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.637 178.237 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -60.13 -47.32 86.39 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 176.427 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 423' ' ' LYS . . . . . 0.408 ' HE2' ' HB2' ' A' ' 423' ' ' LYS . 13.6 tppt? -60.88 -41.36 95.82 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.498 179.235 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -69.11 -60.53 2.29 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.107 -175.801 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 . . . . . 0 C--N 1.329 -0.299 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -172.972 . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.601 0.239 . . . . 0.0 110.578 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -60.82 -40.76 93.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.853 0.359 . . . . 0.0 110.563 178.677 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -56.05 -56.49 20.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.782 -179.277 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 382' ' ' ASN . . . . . 0.41 ' O ' HG13 ' A' ' 386' ' ' ILE . 1.1 p-10 -72.98 -34.11 66.24 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 121.0 -0.28 . . . . 0.0 110.695 -174.868 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 383' ' ' LYS . . . . . 0.586 ' HB3' HD22 ' A' ' 416' ' ' LEU . 3.0 mptp? -54.45 -57.47 11.2 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 173.696 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -56.72 -44.65 81.8 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.563 178.915 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 25.5 tptp -63.51 -38.9 92.92 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.432 0.16 . . . . 0.0 111.432 -177.254 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 386' ' ' ILE . . . . . 0.41 HG13 ' O ' ' A' ' 382' ' ' ASN . 85.3 mt -67.79 -44.55 85.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.317 0.58 . . . . 0.0 109.715 178.256 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 387' ' ' CYS . . . . . 0.425 ' O ' ' HB3' ' A' ' 414' ' ' CYS . 62.0 m -63.16 -45.82 90.06 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.841 178.188 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -76.91 -15.28 59.73 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.669 -174.565 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -65.49 -25.56 67.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.716 175.353 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -79.91 -21.7 43.61 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -179.458 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 32.7 mtmm 57.45 -116.69 0.96 Allowed 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.486 175.87 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -94.08 -3.34 51.35 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.481 0.182 . . . . 0.0 111.368 -175.915 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -84.68 106.94 16.61 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.075 0.464 . . . . 0.0 110.374 -176.316 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -69.98 -39.12 76.15 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.878 -179.215 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -52.47 -55.76 19.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.579 179.832 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 396' ' ' ALA . . . . . 0.463 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -65.71 -33.6 76.25 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.497 -177.621 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 51.8 t -59.42 -50.24 74.7 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.421 0.629 . . . . 0.0 110.375 176.65 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 398' ' ' GLU . . . . . 0.635 ' HA ' ' HB2' ' A' ' 401' ' ' LYS . 20.7 mt-10 -77.72 -4.27 45.4 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.625 -177.189 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 -75.67 -41.43 53.96 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 167.398 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 1.4 pp -103.71 18.89 20.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.263 0.554 . . . . 0.0 110.814 178.358 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 401' ' ' LYS . . . . . 0.635 ' HB2' ' HA ' ' A' ' 398' ' ' GLU . 18.3 tptm -45.63 -32.52 2.4 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 114.933 -1.031 . . . . 0.0 111.36 175.233 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -48.49 -44.37 35.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.091 -0.959 . . . . 0.0 112.77 178.947 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -84.65 25.15 0.93 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -167.278 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 89.97 -1.7 80.85 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 121.01 -0.614 . . . . 0.0 111.766 177.516 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 405' ' ' CYS . . . . . 0.569 ' O ' ' HD2' ' A' ' 401' ' ' LYS . 76.2 m -79.19 115.36 18.8 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.165 -0.517 . . . . 0.0 110.855 -178.151 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 12.5 p -127.31 139.42 51.96 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 176.238 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 407' ' ' PHE . . . . . 0.465 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 21.1 t80 -70.21 122.19 19.01 Favored 'General case' 0 N--CA 1.441 -0.923 0 CA-C-O 121.112 0.482 . . . . 0.0 109.767 -179.836 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 25.0 t30 -98.86 101.66 13.13 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 -178.72 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 4.2 p -68.06 -25.87 65.57 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.876 -175.729 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -63.24 -29.37 70.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.321 -178.782 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 6.5 t -121.49 2.31 10.18 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.163 0.506 . . . . 0.0 110.195 178.202 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 4.0 t30 51.59 67.8 0.9 Allowed 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.928 -179.224 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -170.35 153.36 4.36 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.483 175.014 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 414' ' ' CYS . . . . . 0.511 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 37.1 t -73.01 129.12 37.39 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 176.441 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 46.4 tt0 -147.53 154.79 41.17 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.841 0.353 . . . . 0.0 110.892 -173.138 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.586 HD22 ' HB3' ' A' ' 383' ' ' LYS . 44.7 tp . . . . . 0 C--N 1.326 -0.44 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 173.164 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 8.6 tmtm? . . . . . 0 CA--C 1.52 -0.21 0 CA-C-O 121.142 0.496 . . . . 0.0 111.247 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 419' ' ' ASP . . . . . 0.447 ' O ' ' HG2' ' A' ' 423' ' ' LYS . 7.1 m-20 -75.8 -42.66 49.36 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.936 -176.396 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 39.6 t -62.64 -46.75 95.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.994 -177.457 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -63.69 -39.86 95.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.155 0.502 . . . . 0.0 110.347 178.367 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -63.35 -41.69 98.86 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.764 -178.865 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 423' ' ' LYS . . . . . 0.447 ' HG2' ' O ' ' A' ' 419' ' ' ASP . 34.6 mmtp -77.98 -13.29 59.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.693 179.105 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 55.9 tp -86.52 -45.45 11.08 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.609 179.124 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.662 -179.974 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.714 0 N-CA-C 112.279 -0.328 . . . . 0.0 112.279 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 30.8 t -94.51 119.28 32.96 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.755 0.312 . . . . 0.0 110.268 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 373' ' ' LYS . . . . . 0.724 ' H ' ' HD3' ' A' ' 373' ' ' LYS . 0.0 OUTLIER -96.1 147.22 23.96 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 176.751 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 374' ' ' LYS . . . . . . . . . . . . . 6.6 ptpp? -111.15 86.51 2.34 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.423 0.63 . . . . 0.0 110.981 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 375' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -97.2 -18.66 19.12 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 175.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -169.2 -65.55 0.02 OUTLIER 'General case' 0 C--O 1.236 0.354 0 CA-C-N 114.784 -1.098 . . . . 0.0 109.08 178.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 377' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 55.51 -151.32 0.4 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.634 -1.166 . . . . 0.0 110.39 178.29 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 378' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -76.44 -44.93 33.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.919 0.39 . . . . 0.0 111.283 -172.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 379' ' ' SER . . . . . 0.416 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 16.0 m -55.37 -51.36 67.05 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.426 -177.437 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -75.85 -31.09 59.17 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.689 -0.404 . . . . 0.0 111.455 -177.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -59.01 -61.33 2.72 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-O 120.747 0.308 . . . . 0.0 110.919 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 382' ' ' ASN . . . . . 0.473 ' O ' HG13 ' A' ' 386' ' ' ILE . 2.9 p30 -64.46 -33.13 75.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.573 -176.3 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 383' ' ' LYS . . . . . 0.721 ' HA ' ' HE3' ' A' ' 383' ' ' LYS . 0.0 OUTLIER -63.25 -53.58 50.75 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 121.417 0.627 . . . . 0.0 109.442 178.402 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -59.6 -40.83 88.76 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.798 -1.092 . . . . 0.0 110.9 178.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -62.76 -39.93 95.69 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.704 -178.012 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 386' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 382' ' ' ASN . 89.8 mt -64.81 -40.68 89.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.249 0.547 . . . . 0.0 109.849 179.124 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 32.9 m -66.14 -44.78 83.22 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.551 176.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -71.7 -17.96 62.19 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.019 -177.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -68.34 -18.33 64.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.914 0.388 . . . . 0.0 110.707 176.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -92.28 -11.43 35.25 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 177.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? 56.98 -96.76 0.07 Allowed 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 114.615 -1.175 . . . . 0.0 111.804 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -131.67 18.32 4.73 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.935 0.398 . . . . 0.0 111.011 -175.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -81.11 110.0 16.2 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 173.159 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 394' ' ' GLN . . . . . 0.482 ' O ' ' HG2' ' A' ' 398' ' ' GLU . 64.9 tt0 -65.63 -48.72 71.26 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.316 -175.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -59.94 -42.0 93.05 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.678 0.275 . . . . 0.0 110.887 -176.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 396' ' ' ALA . . . . . 0.572 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -60.45 -39.73 88.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.121 0.486 . . . . 0.0 110.509 177.359 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 12.9 t -69.88 -38.2 76.29 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.377 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 398' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' A' ' 394' ' ' GLN . 10.9 mm-40 -57.96 -35.31 70.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.407 175.094 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -73.95 -31.46 63.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.623 176.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 78.7 mt -87.56 0.46 55.57 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.966 -179.523 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 401' ' ' LYS . . . . . 0.537 ' HA ' ' O ' ' A' ' 405' ' ' CYS . 4.1 tmtp? -56.97 -33.4 67.02 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.242 -178.28 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -66.05 -23.43 66.54 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.225 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 49.4 mttm -94.3 4.43 53.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.815 -174.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 99.84 11.55 43.12 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.756 177.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 405' ' ' CYS . . . . . 0.537 ' O ' ' HA ' ' A' ' 401' ' ' LYS . 90.8 m -94.68 130.68 41.08 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.993 0.425 . . . . 0.0 111.211 -179.679 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 9.5 p -129.93 130.8 66.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.133 178.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 407' ' ' PHE . . . . . 0.403 ' CD1' ' HA ' ' A' ' 394' ' ' GLN . 25.5 t80 -70.0 125.78 27.75 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-O 121.082 0.467 . . . . 0.0 109.842 177.614 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -106.35 108.64 20.26 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.501 -178.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 34.5 p -69.57 -25.73 64.13 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.607 -176.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -59.07 -49.87 76.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.63 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 13.2 m -95.26 -12.69 25.79 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.12 -178.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 60.28 68.56 0.76 Allowed 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.583 0.706 . . . . 0.0 110.574 -176.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -170.44 165.61 8.59 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.913 175.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 414' ' ' CYS . . . . . 0.501 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 42.2 t -83.82 116.02 22.53 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 174.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -120.42 158.33 27.43 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.122 -171.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.643 HD13 ' HB3' ' A' ' 383' ' ' LYS . 50.7 tp -70.27 132.1 45.2 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 178.119 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 417' ' ' LYS . . . . . 0.625 ' HD3' HG23 ' A' ' 420' ' ' VAL . 34.1 tttm -74.03 92.66 2.16 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 176.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -62.11 -24.29 67.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.561 0.696 . . . . 0.0 109.839 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 419' ' ' ASP . . . . . 0.508 ' HB3' ' HG2' ' A' ' 417' ' ' LYS . 16.2 t70 -55.31 -59.69 4.44 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.313 -1.312 . . . . 0.0 110.296 174.377 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 420' ' ' VAL . . . . . 0.625 HG23 ' HD3' ' A' ' 417' ' ' LYS . 98.2 t -69.0 -36.72 75.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.672 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 421' ' ' LYS . . . . . 0.637 ' HA ' ' HE2' ' A' ' 421' ' ' LYS . 0.6 OUTLIER -56.16 -42.49 77.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.809 0.338 . . . . 0.0 111.344 -179.548 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 422' ' ' GLU . . . . . 0.519 ' HG2' ' HE3' ' A' ' 426' ' ' LYS . 35.1 tt0 -77.44 -44.01 30.49 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.557 179.634 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 40.2 mtpt -64.6 -30.51 71.53 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.679 -178.046 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 63.4 tp -78.62 -34.26 46.75 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.093 0.473 . . . . 0.0 110.138 175.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -64.69 -43.5 93.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.441 -179.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 426' ' ' LYS . . . . . 0.519 ' HE3' ' HG2' ' A' ' 422' ' ' GLU . 17.0 ptpt -76.49 -9.73 58.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.734 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -84.72 -18.36 35.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.707 0.765 . . . . 0.0 109.209 173.161 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 19.9 m -91.5 25.38 2.65 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.213 -174.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.86 7.42 24.08 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 122.275 -0.266 . . . . 0.0 111.257 179.288 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 61.49 -89.05 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.567 0.747 . . . . 0.0 110.834 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 431' ' ' THR . . . . . 0.421 ' O ' ' HB3' ' A' ' 432' ' ' GLU . 16.7 p -111.68 -63.62 1.39 Allowed 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 175.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 432' ' ' GLU . . . . . 0.421 ' HB3' ' O ' ' A' ' 431' ' ' THR . 15.9 pt-20 172.13 -24.27 0.0 OUTLIER 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 114.71 -1.132 . . . . 0.0 109.479 174.241 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -84.66 62.15 4.6 Favored Glycine 0 C--N 1.316 -0.552 0 CA-C-N 114.886 -1.052 . . . . 0.0 113.352 -175.059 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -83.4 107.79 16.14 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 172.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 435' ' ' ASP . . . . . 0.58 ' HB3' ' HB2' ' A' ' 439' ' ' ASN . 0.4 OUTLIER -79.53 111.96 16.32 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 177.747 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -96.68 -36.72 10.59 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.235 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 27.4 tttp -122.26 -41.56 2.41 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.417 174.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -158.06 136.24 10.86 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.203 178.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 439' ' ' ASN . . . . . 0.58 ' HB2' ' HB3' ' A' ' 435' ' ' ASP . 25.7 t-20 -79.57 -49.74 11.74 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.133 0.492 . . . . 0.0 110.077 176.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 9.8 t -164.79 138.59 5.0 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.259 179.004 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 15.2 t -76.99 -27.67 54.8 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 177.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . 58.49 -124.42 36.4 Favored Glycine 0 C--N 1.335 0.473 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.484 179.105 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 18.6 m . . . . . 0 C--O 1.251 1.138 0 CA-C-O 118.527 -0.749 . . . . 0.0 109.722 177.004 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.706 0 N-CA-C 112.638 -0.185 . . . . 0.0 112.638 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 14.4 m -83.56 6.09 21.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.652 0.263 . . . . 0.0 111.379 -176.379 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -76.04 -23.95 55.16 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 177.492 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 374' ' ' LYS . . . . . 0.432 ' HB3' ' NZ ' ' A' ' 374' ' ' LYS . 5.4 ttpm? 74.17 118.29 0.05 Allowed 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.278 -0.873 . . . . 0.0 111.317 177.448 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 375' ' ' GLN . . . . . 0.436 ' HA ' ' OE1' ' A' ' 375' ' ' GLN . 6.5 tp60 -151.83 -42.7 0.11 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.307 174.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 376' ' ' GLN . . . . . 0.4 ' O ' ' HB ' ' A' ' 377' ' ' THR . 34.2 mt-30 60.12 -90.85 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.245 -172.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 377' ' ' THR . . . . . 0.4 ' HB ' ' O ' ' A' ' 376' ' ' GLN . 14.5 t 176.49 173.62 0.39 Allowed 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 177.615 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 378' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -54.97 -60.76 2.93 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 123.443 0.464 . . . . 0.0 111.496 -176.465 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 379' ' ' SER . . . . . 0.566 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 13.0 p -60.01 -41.48 92.22 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.035 -0.529 . . . . 0.0 112.181 -175.058 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -62.02 -48.78 78.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.619 0.247 . . . . 0.0 111.553 -176.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -64.44 -54.6 30.05 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -174.341 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 382' ' ' ASN . . . . . 0.478 ' O ' HG13 ' A' ' 386' ' ' ILE . 2.4 p30 -72.99 -35.47 66.87 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.543 -173.253 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 383' ' ' LYS . . . . . 0.723 ' HB3' HD13 ' A' ' 416' ' ' LEU . 13.0 mptt -69.44 -45.72 68.45 Favored 'General case' 0 CA--C 1.515 -0.389 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.593 -179.238 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -55.42 -41.32 72.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.867 0.365 . . . . 0.0 110.261 176.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -63.07 -41.3 99.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.653 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 386' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 382' ' ' ASN . 85.9 mt -67.37 -47.3 81.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.224 0.535 . . . . 0.0 109.843 179.764 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 57.9 m -61.99 -41.32 97.91 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.854 178.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -74.71 -21.14 59.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.979 -177.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -70.9 -19.45 62.6 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.877 0.37 . . . . 0.0 110.889 175.478 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -86.08 -13.89 45.94 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 176.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp 54.87 -115.3 0.94 Allowed 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 114.361 -1.291 . . . . 0.0 112.394 177.161 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 392' ' ' ASP . . . . . 0.594 ' HA ' ' HA ' ' A' ' 413' ' ' LYS . 3.9 m-20 -115.3 16.48 16.8 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.987 -171.178 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 52.6 t-20 -87.66 111.95 21.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.88 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 394' ' ' GLN . . . . . 0.519 ' HA ' ' CD1' ' A' ' 407' ' ' PHE . 64.3 tt0 -61.17 -50.59 72.53 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.235 -179.189 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 395' ' ' LYS . . . . . 0.445 ' HA ' ' HD3' ' A' ' 395' ' ' LYS . 66.6 mmtt -65.68 -40.29 92.22 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.7 -174.34 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 396' ' ' ALA . . . . . 0.533 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -60.68 -38.7 85.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.081 0.467 . . . . 0.0 110.189 176.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 32.4 t -69.14 -45.31 70.42 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.479 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 398' ' ' GLU . . . . . 0.425 ' HG3' ' O ' ' A' ' 394' ' ' GLN . 42.5 mt-10 -57.79 -31.28 66.4 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.07 178.737 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -67.81 -56.96 7.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.872 178.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 1.6 pp -85.4 11.8 9.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.024 0.44 . . . . 0.0 111.605 -177.707 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 401' ' ' LYS . . . . . 0.416 ' HG2' ' O ' ' A' ' 405' ' ' CYS . 1.7 tmtp? -57.09 -30.3 64.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.131 176.088 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -63.13 -26.89 69.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.354 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -77.28 -63.49 1.36 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.782 -176.062 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 179.64 25.81 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.148 -1.025 . . . . 0.0 112.555 177.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 405' ' ' CYS . . . . . 0.523 ' HB3' ' SG ' ' A' ' 414' ' ' CYS . 79.6 m -118.14 149.58 40.81 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.783 -176.655 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 10.3 p -142.08 137.9 30.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 176.596 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 407' ' ' PHE . . . . . 0.519 ' CD1' ' HA ' ' A' ' 394' ' ' GLN . 23.6 t80 -75.62 124.79 27.83 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-O 121.343 0.592 . . . . 0.0 110.093 -179.443 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 28.8 t30 -102.88 109.74 21.41 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.69 -178.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 1.8 p -68.46 -18.37 64.4 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.837 -0.62 . . . . 0.0 112.127 -175.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -67.16 -55.06 15.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.21 0.528 . . . . 0.0 110.015 174.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 8.6 t -88.81 7.31 34.73 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.328 -176.369 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 45.7 33.05 1.34 Allowed 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.218 1.007 . . . . 0.0 112.626 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 413' ' ' LYS . . . . . 0.594 ' HA ' ' HA ' ' A' ' 392' ' ' ASP . 0.1 OUTLIER -149.03 176.58 10.33 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 121.077 -0.249 . . . . 0.0 110.616 -177.58 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 414' ' ' CYS . . . . . 0.523 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 49.9 t -94.81 125.71 39.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.289 -178.153 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -130.3 175.0 9.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.204 0.526 . . . . 0.0 111.402 -177.305 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.723 HD13 ' HB3' ' A' ' 383' ' ' LYS . 26.8 tp -76.01 129.31 36.67 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.922 -178.194 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.8 -15.98 62.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.284 -179.103 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 418' ' ' LYS . . . . . 0.47 ' H ' ' HG ' ' A' ' 416' ' ' LEU . 27.6 ttmt -72.76 -39.71 66.59 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 176.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -59.04 -45.28 91.15 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.78 -1.1 . . . . 0.0 109.649 175.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 420' ' ' VAL . . . . . 0.46 ' O ' ' HG ' ' A' ' 424' ' ' LEU . 61.8 t -64.82 -51.12 71.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 114.997 -1.001 . . . . 0.0 110.438 179.406 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 17.3 ttmt -62.6 -34.95 78.03 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.085 -177.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -61.03 -43.05 99.47 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.665 -178.037 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 31.7 mtmm -78.17 -18.75 55.15 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 120.847 0.356 . . . . 0.0 111.856 178.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 424' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 420' ' ' VAL . 87.2 mt -83.82 -44.5 14.28 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.839 0.352 . . . . 0.0 110.164 177.204 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -58.73 -57.48 12.81 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.34 176.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 426' ' ' LYS . . . . . 0.411 ' C ' ' H ' ' A' ' 428' ' ' SER . 22.7 ttmm 68.57 149.81 0.07 Allowed 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 115.161 -0.927 . . . . 0.0 112.389 174.111 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 427' ' ' GLU . . . . . 0.422 ' C ' ' H ' ' A' ' 429' ' ' LYS . 7.0 tp10 72.71 -23.02 0.21 Allowed 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 114.916 -1.038 . . . . 0.0 112.117 177.771 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 428' ' ' SER . . . . . 0.411 ' H ' ' C ' ' A' ' 426' ' ' LYS . 14.7 m -76.02 37.29 0.15 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.296 0.569 . . . . 0.0 110.463 176.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 429' ' ' LYS . . . . . 0.422 ' H ' ' C ' ' A' ' 427' ' ' GLU . 23.1 pttm -77.82 -17.42 57.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.485 -178.386 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 73.56 152.34 0.13 Allowed 'General case' 0 C--O 1.232 0.147 0 CA-C-O 121.707 0.765 . . . . 0.0 111.227 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 431' ' ' THR . . . . . . . . . . . . . 25.0 m -148.65 81.12 1.45 Allowed 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.137 177.109 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -100.88 -0.07 37.52 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.1 -174.416 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 433' ' ' GLY . . . . . 0.42 ' O ' ' HB3' ' A' ' 434' ' ' LYS . . . -120.81 93.27 0.52 Allowed Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.907 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 434' ' ' LYS . . . . . 0.42 ' HB3' ' O ' ' A' ' 433' ' ' GLY . 45.4 tptt 72.96 125.06 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.643 0.735 . . . . 0.0 111.459 179.655 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 435' ' ' ASP . . . . . 0.544 ' HB2' ' HB3' ' A' ' 439' ' ' ASN . 6.3 p-10 -69.22 152.4 45.12 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.502 178.118 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -86.38 84.69 7.39 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.409 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.75 77.55 0.32 Allowed 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.535 169.621 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . 54.98 60.9 3.2 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.953 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 439' ' ' ASN . . . . . 0.544 ' HB3' ' HB2' ' A' ' 435' ' ' ASP . 27.9 t-20 -69.47 -47.3 64.39 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.101 -179.676 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 15.1 t -155.66 142.27 18.75 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.959 0.409 . . . . 0.0 110.435 179.598 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 21.5 m -154.58 139.27 17.03 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.867 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . 136.74 15.4 0.84 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.447 -0.882 . . . . 0.0 113.012 177.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 48.6 m . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.567 -0.73 . . . . 0.0 110.363 178.517 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.574 0 N-CA-C 112.293 -0.323 . . . . 0.0 112.293 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 47.8 t -121.54 99.3 6.39 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.738 0.304 . . . . 0.0 110.397 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -111.04 78.52 1.12 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.365 0.602 . . . . 0.0 110.139 176.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 374' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -89.85 128.63 36.21 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.062 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 375' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -138.01 109.23 6.85 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.804 0.335 . . . . 0.0 110.508 -176.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 68.04 171.65 0.28 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.518 178.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 377' ' ' THR . . . . . . . . . . . . . 9.9 t -124.29 175.32 7.15 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.464 -174.324 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 378' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -48.28 -52.51 21.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 114.855 -1.066 . . . . 0.0 112.304 -177.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 379' ' ' SER . . . . . 0.63 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 12.3 m -55.27 -53.69 52.94 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.826 -175.467 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -67.85 -34.61 77.03 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.778 0.323 . . . . 0.0 111.307 -178.001 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -68.08 -53.13 27.76 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.344 -176.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 382' ' ' ASN . . . . . 0.533 ' O ' HG13 ' A' ' 386' ' ' ILE . 1.6 p30 -73.34 -30.25 63.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 -175.355 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 383' ' ' LYS . . . . . 0.63 ' HB2' ' O ' ' A' ' 379' ' ' SER . 11.8 tptt -67.08 -48.65 67.56 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 121.348 0.595 . . . . 0.0 109.686 -177.296 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 384' ' ' GLU . . . . . 0.431 ' HA ' ' HB2' ' A' ' 416' ' ' LEU . 8.8 tp10 -60.54 -39.4 87.77 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.915 -1.039 . . . . 0.0 110.348 178.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 2.0 tmtm? -62.7 -38.53 90.77 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.237 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 386' ' ' ILE . . . . . 0.533 HG13 ' O ' ' A' ' 382' ' ' ASN . 89.2 mt -61.75 -40.02 85.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.543 0.687 . . . . 0.0 109.898 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 32.8 m -71.62 -40.45 69.79 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.787 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -69.53 -17.47 63.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.446 -179.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -68.17 -19.62 64.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.884 0.373 . . . . 0.0 111.096 176.506 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 390' ' ' ALA . . . . . 0.415 ' HB2' HD21 ' A' ' 400' ' ' LEU . . . -87.32 -22.05 25.35 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.282 0.563 . . . . 0.0 109.745 177.297 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 90.7 mttt 61.29 -96.64 0.06 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 114.802 -1.09 . . . . 0.0 111.925 176.429 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 392' ' ' ASP . . . . . 0.449 ' HA ' ' HA ' ' A' ' 413' ' ' LYS . 9.1 p-10 -122.15 2.54 9.82 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.931 0.396 . . . . 0.0 110.755 -176.654 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -80.47 106.25 12.34 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.962 0.41 . . . . 0.0 110.09 -176.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -61.17 -42.05 97.88 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.181 -179.056 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 18.3 mtpp -61.96 -50.56 71.63 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 -178.602 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 396' ' ' ALA . . . . . 0.61 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -60.18 -37.48 80.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.623 -179.635 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 397' ' ' CYS . . . . . 0.424 ' HA ' HD11 ' A' ' 400' ' ' LEU . 42.5 t -62.82 -51.87 65.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.543 179.182 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -63.13 -18.23 63.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.249 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -75.69 -45.96 33.91 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-O 120.771 0.319 . . . . 0.0 110.744 175.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.61 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 1.4 pp -97.56 15.07 24.42 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.426 0.631 . . . . 0.0 110.805 -179.131 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 3.3 tmtp? -51.65 -25.73 7.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.621 -1.172 . . . . 0.0 112.014 178.158 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -62.06 -23.14 66.31 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.351 -0.84 . . . . 0.0 112.14 -174.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 403' ' ' LYS . . . . . 0.478 ' HD2' ' N ' ' A' ' 403' ' ' LYS . 11.1 mptt -88.58 -4.13 58.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.757 0.313 . . . . 0.0 111.708 -173.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 111.63 8.9 22.15 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.949 -0.643 . . . . 0.0 111.54 -179.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 54.3 m -87.09 126.83 35.02 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.219 -0.49 . . . . 0.0 110.837 -177.649 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 406' ' ' VAL . . . . . 0.47 HG21 ' HD3' ' A' ' 417' ' ' LYS . 28.3 m -124.01 146.11 30.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 176.794 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 407' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -83.63 128.42 34.51 Favored 'General case' 0 N--CA 1.435 -1.218 0 C-N-CA 120.305 -0.558 . . . . 0.0 109.763 177.43 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -104.12 103.86 13.71 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.295 -179.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 34.1 p -66.75 -27.09 67.32 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.935 -173.183 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -59.21 -56.72 18.5 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.119 0.485 . . . . 0.0 110.624 -179.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 23.2 t -88.23 -11.04 47.8 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.767 -177.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 59.52 73.04 0.5 Allowed 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.65 0.738 . . . . 0.0 110.058 -173.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 413' ' ' LYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 392' ' ' ASP . 22.0 ptmt -165.91 158.87 15.27 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.098 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 414' ' ' CYS . . . . . . . . . . . . . 46.3 t -99.52 127.05 45.58 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 171.34 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -139.91 160.48 39.82 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.626 HD22 ' HB3' ' A' ' 383' ' ' LYS . 34.9 tp -68.97 125.62 27.23 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 176.134 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 417' ' ' LYS . . . . . 0.638 ' HE2' ' HB3' ' A' ' 419' ' ' ASP . 18.9 tptm -71.24 84.03 0.76 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 176.78 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 24.9 mtmm -62.55 -24.8 67.71 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.663 -175.598 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 419' ' ' ASP . . . . . 0.638 ' HB3' ' HE2' ' A' ' 417' ' ' LYS . 2.7 t70 -59.71 -54.1 50.32 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.603 -1.181 . . . . 0.0 111.092 175.421 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 91.8 t -78.39 -31.93 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.231 -178.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 421' ' ' LYS . . . . . 0.77 ' HA ' ' HE2' ' A' ' 421' ' ' LYS . 0.6 OUTLIER -55.86 -46.31 78.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.941 176.176 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -61.81 -46.31 90.07 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.619 176.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 423' ' ' LYS . . . . . 0.61 ' HG3' ' O ' ' A' ' 419' ' ' ASP . 55.5 mttm -64.49 -21.65 66.74 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.037 0.446 . . . . 0.0 111.478 -178.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 41.6 tp -82.52 -36.52 26.29 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.586 -178.332 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 425' ' ' GLU . . . . . 0.437 ' OE2' ' HG3' ' A' ' 421' ' ' LYS . 8.5 pt-20 -101.82 16.79 24.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.984 0.421 . . . . 0.0 110.854 178.771 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 56.2 mttm 29.82 -84.61 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.846 1.658 . . . . 0.0 115.435 162.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -123.71 -87.42 0.63 Allowed 'General case' 0 CA--C 1.534 0.33 0 O-C-N 122.399 -0.188 . . . . 0.0 111.12 -172.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 14.3 p -77.59 -59.65 2.69 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 173.288 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 429' ' ' LYS . . . . . 0.497 ' HD3' ' HA ' ' A' ' 429' ' ' LYS . 65.5 mmtt -139.12 -111.63 0.16 Allowed 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 114.721 -1.127 . . . . 0.0 109.044 165.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -95.32 -2.97 48.19 Favored 'General case' 0 C--N 1.314 -0.936 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.598 -175.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 431' ' ' THR . . . . . 0.409 ' O ' HG22 ' A' ' 431' ' ' THR . 8.3 m 64.72 10.23 5.84 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.306 174.129 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 61.29 -173.78 0.13 Allowed 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.867 179.148 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -117.54 -75.51 0.53 Allowed Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.623 -0.798 . . . . 0.0 111.463 176.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? -166.2 -177.73 4.26 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 177.093 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 435' ' ' ASP . . . . . 0.422 ' CG ' ' H ' ' A' ' 436' ' ' GLU . 23.2 p-10 -65.66 -63.98 0.97 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.464 178.703 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 436' ' ' GLU . . . . . 0.534 ' HA ' ' OE2' ' A' ' 436' ' ' GLU . 0.4 OUTLIER 54.52 -93.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 123.916 0.886 . . . . 0.0 111.561 179.799 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -98.24 -65.39 0.96 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.054 0.454 . . . . 0.0 110.171 177.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -105.91 119.69 39.84 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.775 -178.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -84.96 139.32 31.9 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 178.492 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 6.9 p -72.41 100.91 2.79 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.231 0.538 . . . . 0.0 111.721 -174.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 21.8 m -75.71 -50.96 13.83 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.141 177.388 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . -177.31 135.83 2.9 Favored Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.064 179.425 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 71.1 m . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.154 -0.927 . . . . 0.0 110.084 178.283 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.634 0 N-CA-C 112.196 -0.361 . . . . 0.0 112.196 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 4.9 m -111.97 -4.07 14.63 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.739 0.304 . . . . 0.0 110.371 -178.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 373' ' ' LYS . . . . . 0.46 ' HE2' ' HB3' ' A' ' 373' ' ' LYS . 43.6 mtpt 62.17 18.89 10.48 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.35 -175.614 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 374' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -169.98 128.62 0.91 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.022 -178.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 375' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -66.38 105.72 1.53 Allowed 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 177.217 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.84 122.14 17.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.43 -179.008 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 377' ' ' THR . . . . . 0.439 HG22 ' H ' ' A' ' 380' ' ' ALA . 18.2 m 68.15 75.87 0.27 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.864 0.84 . . . . 0.0 109.931 -174.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 378' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -60.43 -30.94 69.95 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.757 -1.111 . . . . 0.0 111.007 -177.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 1.5 m -57.17 -53.21 60.67 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 121.228 0.537 . . . . 0.0 110.78 178.291 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 380' ' ' ALA . . . . . 0.439 ' H ' HG22 ' A' ' 377' ' ' THR . . . -63.64 -39.61 94.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.011 0.434 . . . . 0.0 110.511 179.442 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -63.97 -55.45 22.33 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.815 -177.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 382' ' ' ASN . . . . . 0.603 ' O ' HG13 ' A' ' 386' ' ' ILE . 0.1 OUTLIER -72.04 -13.42 61.6 Favored 'General case' 0 C--O 1.224 -0.285 0 C-N-CA 120.382 -0.527 . . . . 0.0 112.153 -173.229 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 383' ' ' LYS . . . . . 0.458 ' HB3' HD22 ' A' ' 416' ' ' LEU . 3.1 mptp? -70.76 -49.48 46.3 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 171.619 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -63.75 -35.0 79.14 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.873 -1.058 . . . . 0.0 109.345 177.115 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 42.1 tptt -61.99 -41.63 98.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.085 -0.961 . . . . 0.0 111.332 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 386' ' ' ILE . . . . . 0.603 HG13 ' O ' ' A' ' 382' ' ' ASN . 85.2 mt -63.76 -39.63 86.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 121.384 0.611 . . . . 0.0 109.613 -179.627 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 387' ' ' CYS . . . . . 0.549 ' O ' ' HB3' ' A' ' 414' ' ' CYS . 58.9 m -63.9 -45.51 89.04 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.622 175.288 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -66.58 -23.8 66.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 -178.152 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -75.78 -27.66 58.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.575 177.201 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -83.44 -31.92 26.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.878 0.371 . . . . 0.0 110.645 -177.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt 63.63 -95.84 0.05 OUTLIER 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.467 -0.788 . . . . 0.0 112.286 172.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -118.09 -0.82 11.52 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 120.441 0.163 . . . . 0.0 111.225 -174.376 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -77.62 93.26 4.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.089 0.471 . . . . 0.0 110.066 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 394' ' ' GLN . . . . . 0.477 ' O ' ' HG2' ' A' ' 398' ' ' GLU . 44.9 tt0 -64.35 -37.42 87.43 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.87 -173.056 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -56.61 -43.5 80.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.606 0.241 . . . . 0.0 111.097 179.144 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 396' ' ' ALA . . . . . 0.732 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -61.63 -44.8 96.31 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 177.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 397' ' ' CYS . . . . . 0.576 ' HA ' HD11 ' A' ' 400' ' ' LEU . 85.4 m -61.69 -39.36 91.16 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.939 -1.028 . . . . 0.0 111.622 -179.378 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 398' ' ' GLU . . . . . 0.477 ' HG2' ' O ' ' A' ' 394' ' ' GLN . 27.9 mm-40 -59.04 -36.74 75.51 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.0 0.429 . . . . 0.0 110.531 175.76 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -75.72 -57.3 3.96 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.083 -178.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.732 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 2.5 pp -78.26 6.39 8.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.557 -176.018 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 401' ' ' LYS . . . . . 0.506 ' HG2' ' O ' ' A' ' 405' ' ' CYS . 8.3 tmtm? -58.57 -33.67 70.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.389 0.614 . . . . 0.0 109.569 173.613 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -80.24 -2.66 46.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.641 -178.367 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -106.15 14.83 27.14 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.18 0.514 . . . . 0.0 110.455 -178.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 93.79 65.64 1.05 Allowed Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.544 -179.047 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 405' ' ' CYS . . . . . 0.506 ' O ' ' HG2' ' A' ' 401' ' ' LYS . 8.1 t -170.38 167.55 8.28 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 -179.385 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 12.1 p -162.11 137.71 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 172.099 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 407' ' ' PHE . . . . . 0.495 ' HD2' ' SG ' ' A' ' 397' ' ' CYS . 25.5 t80 -70.65 123.7 22.5 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 177.196 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -98.72 108.19 20.82 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 18.8 p -76.5 -13.37 60.1 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.628 -175.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -69.54 -44.99 69.83 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.731 -177.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 12.9 p -103.39 -1.45 28.58 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.256 0.55 . . . . 0.0 109.942 174.348 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 4.2 t30 55.65 70.43 0.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.77 -1.105 . . . . 0.0 110.943 -179.521 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -162.02 155.16 20.53 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.562 179.182 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 414' ' ' CYS . . . . . 0.549 ' HB3' ' O ' ' A' ' 387' ' ' CYS . 0.1 OUTLIER -69.87 117.83 11.95 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.667 168.186 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -135.46 141.37 45.35 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.053 0.454 . . . . 0.0 110.955 -176.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.548 HD21 ' HD3' ' A' ' 421' ' ' LYS . 19.3 tp -72.4 130.56 41.0 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 175.355 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 417' ' ' LYS . . . . . 0.41 ' HD2' ' HA ' ' A' ' 417' ' ' LYS . 44.2 tptt -78.11 78.87 4.58 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.657 0.742 . . . . 0.0 109.098 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 418' ' ' LYS . . . . . 0.596 ' O ' ' HB2' ' A' ' 422' ' ' GLU . 51.4 mtpt -72.65 -16.2 61.71 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.476 -1.238 . . . . 0.0 111.863 -170.595 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -63.17 -64.58 0.87 Allowed 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.651 0.739 . . . . 0.0 109.685 173.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 420' ' ' VAL . . . . . 0.428 ' O ' HD23 ' A' ' 424' ' ' LEU . 44.4 t -61.45 -42.75 95.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 114.715 -1.129 . . . . 0.0 110.372 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 421' ' ' LYS . . . . . 0.548 ' HD3' HD21 ' A' ' 416' ' ' LEU . 15.2 ttpp -60.62 -32.05 71.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.628 -179.451 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 422' ' ' GLU . . . . . 0.596 ' HB2' ' O ' ' A' ' 418' ' ' LYS . 6.5 tp10 -66.62 -52.25 47.19 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.395 -177.764 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 18.0 ttpp -75.45 -21.56 58.03 Favored 'General case' 0 C--O 1.225 -0.19 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.498 -176.128 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 424' ' ' LEU . . . . . 0.428 HD23 ' O ' ' A' ' 420' ' ' VAL . 3.9 mm? -78.45 -45.47 22.11 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.196 0.522 . . . . 0.0 110.108 177.198 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 425' ' ' GLU . . . . . 0.642 ' HG2' ' HG3' ' A' ' 426' ' ' LYS . 39.4 tt0 -61.57 -53.73 52.43 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.465 174.265 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 426' ' ' LYS . . . . . 0.642 ' HG3' ' HG2' ' A' ' 425' ' ' GLU . 27.6 mtmm -133.64 92.07 2.93 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.011 -179.283 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -74.5 -22.05 59.26 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 176.144 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 428' ' ' SER . . . . . 0.606 ' HB3' ' HG3' ' A' ' 432' ' ' GLU . 75.6 m 55.96 75.94 0.31 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 114.746 -1.115 . . . . 0.0 112.311 174.388 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -137.06 -0.17 2.3 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.91 177.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -88.14 -80.17 0.28 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.998 0.427 . . . . 0.0 110.573 -176.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 431' ' ' THR . . . . . . . . . . . . . 18.2 m -155.59 79.68 1.02 Allowed 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 178.438 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 432' ' ' GLU . . . . . 0.606 ' HG3' ' HB3' ' A' ' 428' ' ' SER . 2.1 mm-40 -106.55 174.55 5.84 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.353 -169.657 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 108.27 -81.83 0.29 Allowed Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 121.236 -0.507 . . . . 0.0 112.162 174.544 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -93.22 102.41 14.7 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.988 0.423 . . . . 0.0 110.103 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 435' ' ' ASP . . . . . 0.517 ' HB3' ' O ' ' A' ' 438' ' ' ALA . 36.7 m-20 -70.0 104.05 2.44 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.583 177.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -64.2 -80.26 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.861 -174.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 35.5 mtmm -81.99 -62.07 1.73 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.028 0.442 . . . . 0.0 109.833 -179.152 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 438' ' ' ALA . . . . . 0.517 ' O ' ' HB3' ' A' ' 435' ' ' ASP . . . -137.49 -68.31 0.47 Allowed 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 175.183 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 65.05 -1.18 0.91 Allowed 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.436 172.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 41.4 p -88.95 174.92 7.65 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.86 0.362 . . . . 0.0 110.823 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 2.0 m -82.54 -8.02 59.62 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.346 0.593 . . . . 0.0 110.618 178.466 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . -83.95 68.64 3.49 Favored Glycine 0 N--CA 1.45 -0.419 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.748 -176.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 66.1 m . . . . . 0 C--O 1.251 1.141 0 CA-C-O 118.267 -0.873 . . . . 0.0 109.655 176.54 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.697 0 N-CA-C 112.057 -0.417 . . . . 0.0 112.057 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 21.1 m -71.3 -32.73 68.98 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.804 0.335 . . . . 0.0 111.013 -176.475 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -108.28 -55.82 2.33 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.852 0.358 . . . . 0.0 110.526 178.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 374' ' ' LYS . . . . . . . . . . . . . 15.0 ptmm? -109.91 158.29 18.35 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.482 -174.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 375' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 66.15 112.88 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.349 -0.841 . . . . 0.0 112.211 178.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -84.04 77.69 9.89 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.439 0.638 . . . . 0.0 109.348 176.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 377' ' ' THR . . . . . . . . . . . . . 20.9 p -88.07 -1.27 57.9 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.801 -177.155 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 378' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -45.7 -48.35 15.12 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.69 -0.687 . . . . 0.0 112.009 -177.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 379' ' ' SER . . . . . 0.476 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 5.9 m -55.87 -60.35 3.59 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.283 -179.04 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -67.7 -34.99 77.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.395 -177.338 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -66.38 -56.96 8.54 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.663 -176.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 382' ' ' ASN . . . . . 0.562 ' O ' HG13 ' A' ' 386' ' ' ILE . 1.2 p30 -66.91 -32.09 73.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.322 -175.751 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 383' ' ' LYS . . . . . 0.684 ' HB3' HD13 ' A' ' 416' ' ' LEU . 0.3 OUTLIER -70.53 -45.28 65.84 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 -179.462 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 384' ' ' GLU . . . . . 0.5 ' HA ' ' HB2' ' A' ' 416' ' ' LEU . 7.1 tp10 -53.78 -47.68 70.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.67 174.805 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -60.46 -37.36 80.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.173 -0.921 . . . . 0.0 111.841 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 386' ' ' ILE . . . . . 0.562 HG13 ' O ' ' A' ' 382' ' ' ASN . 77.2 mt -62.93 -42.72 97.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.448 0.642 . . . . 0.0 109.624 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 30.0 m -72.03 -37.53 69.72 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 114.946 -1.024 . . . . 0.0 110.827 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -71.48 -21.68 61.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.832 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -66.05 -14.12 61.16 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 120.787 0.327 . . . . 0.0 111.804 177.508 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -91.07 -21.54 21.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.087 0.47 . . . . 0.0 110.031 176.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 13.9 mtpp 57.12 -103.98 0.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.25 -0.886 . . . . 0.0 112.561 178.136 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -103.13 -7.92 20.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.817 -174.231 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -80.92 94.47 6.51 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.062 0.458 . . . . 0.0 109.809 -177.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -60.87 -46.03 92.22 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.064 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -61.05 -45.23 95.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.033 -175.518 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 396' ' ' ALA . . . . . 0.525 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -62.25 -36.56 82.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.035 0.445 . . . . 0.0 110.425 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 397' ' ' CYS . . . . . 0.54 ' HA ' HD11 ' A' ' 400' ' ' LEU . 1.9 t -75.18 -36.37 61.47 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.302 -179.059 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -62.44 -25.16 67.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.937 0.398 . . . . 0.0 110.549 175.132 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -76.55 -51.23 12.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.858 177.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.54 HD11 ' HA ' ' A' ' 397' ' ' CYS . 1.6 pp -86.66 14.36 7.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.417 0.627 . . . . 0.0 110.593 178.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 401' ' ' LYS . . . . . 0.594 ' HG3' ' O ' ' A' ' 405' ' ' CYS . 66.0 tttt -59.01 -15.03 11.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.89 175.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -53.43 -27.74 26.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.549 174.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 403' ' ' LYS . . . . . 0.404 ' HD2' ' N ' ' A' ' 403' ' ' LYS . 3.3 mptp? -85.84 -8.61 57.97 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.794 0.331 . . . . 0.0 111.287 -178.594 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 404' ' ' GLY . . . . . 0.466 ' O ' HD12 ' A' ' 416' ' ' LEU . . . 99.01 52.61 1.25 Allowed Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.878 -0.677 . . . . 0.0 111.919 -177.301 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 405' ' ' CYS . . . . . 0.594 ' O ' ' HG3' ' A' ' 401' ' ' LYS . 92.1 m -115.91 117.73 30.98 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.905 0.383 . . . . 0.0 110.777 -177.349 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 57.3 t -117.12 116.52 52.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.189 -177.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 407' ' ' PHE . . . . . 0.818 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 26.5 t80 -61.06 121.05 11.49 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 175.347 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 408' ' ' ASN . . . . . 0.505 ' ND2' ' HB3' ' A' ' 410' ' ' GLU . 65.5 t30 -109.74 105.6 14.91 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.41 -173.181 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 10.6 p -62.52 -21.29 65.42 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.042 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 410' ' ' GLU . . . . . 0.505 ' HB3' ' ND2' ' A' ' 408' ' ' ASN . 26.6 tp10 -58.08 -39.75 79.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.527 176.537 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 15.2 m -106.48 -9.76 16.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.085 179.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 7.8 t30 71.98 15.84 5.55 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 121.813 0.816 . . . . 0.0 110.33 178.391 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -136.29 162.08 33.99 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 178.332 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 414' ' ' CYS . . . . . 0.818 ' HA ' ' HA ' ' A' ' 407' ' ' PHE . 16.4 t -82.28 128.66 34.42 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 120.234 -0.587 . . . . 0.0 109.559 176.467 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -124.24 174.69 7.53 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.842 -177.233 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.684 HD13 ' HB3' ' A' ' 383' ' ' LYS . 57.9 tp -63.88 152.52 39.5 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.152 176.288 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 417' ' ' LYS . . . . . 0.5 ' HG2' ' HB3' ' A' ' 419' ' ' ASP . 87.2 tttt -47.22 104.45 0.05 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.554 176.102 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 418' ' ' LYS . . . . . 0.65 ' HA ' ' HB2' ' A' ' 421' ' ' LYS . 58.1 pttt -72.7 -3.41 24.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 112.031 -173.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 419' ' ' ASP . . . . . 0.5 ' HB3' ' HG2' ' A' ' 417' ' ' LYS . 2.4 t70 -64.52 -43.73 93.11 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 168.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 420' ' ' VAL . . . . . 0.423 ' HA ' ' HG2' ' A' ' 423' ' ' LYS . 46.4 t -77.59 -37.93 25.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.265 178.582 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 421' ' ' LYS . . . . . 0.65 ' HB2' ' HA ' ' A' ' 418' ' ' LYS . 27.9 mtpp -60.42 -43.67 96.52 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.933 178.533 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -60.58 -57.25 13.54 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.716 177.1 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 423' ' ' LYS . . . . . 0.423 ' HG2' ' HA ' ' A' ' 420' ' ' VAL . 20.1 ptmt -66.27 -16.65 64.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.269 -0.423 . . . . 0.0 112.055 -173.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 57.7 tp -88.44 -42.91 11.84 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.756 0.313 . . . . 0.0 111.038 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -91.62 -7.1 51.01 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.322 -173.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -68.53 135.51 51.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.982 0.42 . . . . 0.0 110.575 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -117.75 -72.83 0.67 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.451 176.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 5.9 p -129.16 77.59 1.8 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.226 0.536 . . . . 0.0 110.793 -178.133 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -106.9 -26.25 11.3 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.259 176.263 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -151.59 144.97 24.78 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 431' ' ' THR . . . . . . . . . . . . . 21.0 p -117.11 -52.94 2.49 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.28 -177.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 432' ' ' GLU . . . . . 0.481 ' HB3' ' HG2' ' A' ' 434' ' ' LYS . 8.6 tp10 -164.81 -2.34 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.149 0.5 . . . . 0.0 110.945 -177.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 59.77 26.36 62.64 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 121.143 -0.551 . . . . 0.0 112.427 -173.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 434' ' ' LYS . . . . . 0.481 ' HG2' ' HB3' ' A' ' 432' ' ' GLU . 61.7 pttt -104.43 -4.87 22.24 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 122.971 -0.135 . . . . 0.0 110.719 -178.18 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 21.7 t70 65.88 119.75 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.364 0 O-C-N 123.908 0.755 . . . . 0.0 111.268 -174.387 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.42 87.74 6.12 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.092 -176.715 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 58.3 mttp 57.71 45.01 19.6 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.446 176.145 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . 63.65 79.63 0.25 Allowed 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.031 -175.377 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -67.97 130.51 43.18 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.36 -176.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 9.3 t -173.03 161.21 4.35 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.456 -177.416 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 46.2 p -75.24 -15.1 60.56 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.179 0.514 . . . . 0.0 110.293 175.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . 145.11 -64.3 0.46 Allowed Glycine 0 N--CA 1.445 -0.765 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.387 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 11.5 m . . . . . 0 C--O 1.251 1.14 0 CA-C-O 118.648 -0.691 . . . . 0.0 109.517 176.663 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.687 0 N-CA-C 111.697 -0.561 . . . . 0.0 111.697 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 25.0 m -75.32 93.5 2.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.108 0.48 . . . . 0.0 110.556 -179.078 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 57.3 tttp -154.75 -69.74 0.13 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.986 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 374' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -176.66 149.71 0.79 Allowed 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 375' ' ' GLN . . . . . 0.408 ' HG2' ' HG3' ' A' ' 376' ' ' GLN . 50.0 tt0 -158.35 -77.73 0.07 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.842 0.353 . . . . 0.0 111.026 176.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 376' ' ' GLN . . . . . 0.408 ' HG3' ' HG2' ' A' ' 375' ' ' GLN . 77.2 mt-30 -132.8 172.61 12.35 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 377' ' ' THR . . . . . . . . . . . . . 29.0 p 46.58 40.23 8.04 Favored 'General case' 0 N--CA 1.465 0.286 0 O-C-N 123.63 0.581 . . . . 0.0 110.694 -174.047 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 378' ' ' GLU . . . . . 0.415 ' HA ' ' HB3' ' A' ' 381' ' ' GLU . 0.0 OUTLIER -56.58 -35.73 68.53 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 115.055 -0.975 . . . . 0.0 111.916 -173.256 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 18.1 m -61.62 -48.95 78.58 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.984 0.421 . . . . 0.0 110.382 -179.157 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -71.03 -37.86 72.6 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.245 176.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 381' ' ' GLU . . . . . 0.415 ' HB3' ' HA ' ' A' ' 378' ' ' GLU . 41.0 tt0 -58.77 -54.15 50.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.973 -177.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 382' ' ' ASN . . . . . 0.474 ' O ' HG13 ' A' ' 386' ' ' ILE . 3.4 p30 -73.52 -31.12 63.52 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.921 -175.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 383' ' ' LYS . . . . . 0.437 ' HB3' HD13 ' A' ' 416' ' ' LEU . 13.3 mptt -71.88 -35.14 69.67 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 120.96 0.41 . . . . 0.0 109.962 177.108 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -58.3 -44.27 88.45 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.643 173.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 385' ' ' LYS . . . . . 0.509 ' HD3' ' O ' ' A' ' 385' ' ' LYS . 1.4 tmtp? -63.93 -32.86 74.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.521 -179.623 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 386' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 382' ' ' ASN . 71.5 mt -63.43 -44.98 99.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.334 0.588 . . . . 0.0 109.541 178.644 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 35.4 m -71.33 -39.92 71.08 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.588 178.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -68.02 -19.3 64.89 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -71.11 -18.4 62.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.87 0.367 . . . . 0.0 110.685 176.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -86.75 -15.95 37.87 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 175.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp 57.53 -141.15 0.78 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 114.662 -1.153 . . . . 0.0 111.152 175.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 392' ' ' ASP . . . . . 0.601 ' HA ' ' HA ' ' A' ' 413' ' ' LYS . 6.7 p-10 -86.16 5.85 32.08 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.086 -179.406 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -84.76 102.03 12.7 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.159 0.504 . . . . 0.0 109.993 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -65.34 -34.45 78.36 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.959 -175.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -57.16 -46.52 82.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.764 178.327 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 396' ' ' ALA . . . . . 0.47 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -64.57 -40.11 94.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.492 178.594 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 27.2 t -60.71 -48.46 81.68 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.56 179.238 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -60.98 -27.45 68.3 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.502 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -70.07 -36.88 75.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.935 0.398 . . . . 0.0 111.016 178.038 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 1.7 pp -111.26 20.6 17.18 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.404 0.621 . . . . 0.0 110.984 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 4.9 tmtp? -54.76 -42.54 71.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.875 -1.057 . . . . 0.0 111.837 -178.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -63.93 -15.39 59.03 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.889 -177.096 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -80.93 3.15 23.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.747 0.308 . . . . 0.0 111.196 -179.02 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 404' ' ' GLY . . . . . 0.423 ' O ' ' HD2' ' A' ' 417' ' ' LYS . . . 100.06 12.59 39.24 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.052 179.345 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 405' ' ' CYS . . . . . 0.629 ' HB3' ' SG ' ' A' ' 414' ' ' CYS . 96.4 m -98.94 118.28 35.36 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.006 0.431 . . . . 0.0 110.552 -178.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 59.8 t -120.87 125.26 73.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.832 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 407' ' ' PHE . . . . . 0.59 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 26.2 t80 -66.26 123.03 18.83 Favored 'General case' 0 N--CA 1.44 -0.928 0 CA-C-O 121.051 0.453 . . . . 0.0 109.785 177.266 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -99.74 112.98 25.18 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.364 -179.244 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 21.3 p -71.61 -12.22 61.24 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.624 -174.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -73.53 -60.01 2.45 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 92.0 p -83.74 -12.93 55.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.79 0.329 . . . . 0.0 110.359 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 6.8 t30 61.62 69.39 0.65 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.881 -178.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 413' ' ' LYS . . . . . 0.601 ' HA ' ' HA ' ' A' ' 392' ' ' ASP . 26.0 pttm -174.79 165.89 3.66 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.235 173.219 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 414' ' ' CYS . . . . . 0.629 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 36.6 t -83.19 117.71 23.1 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.03 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -122.47 154.66 37.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.929 0.395 . . . . 0.0 110.861 -176.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.506 ' HG ' ' H ' ' A' ' 418' ' ' LYS . 60.6 tp -65.78 128.45 36.04 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 176.46 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 417' ' ' LYS . . . . . 0.423 ' HD2' ' O ' ' A' ' 404' ' ' GLY . 0.0 OUTLIER -62.77 -21.16 65.65 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.958 -0.297 . . . . 0.0 111.192 -174.723 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 418' ' ' LYS . . . . . 0.506 ' H ' ' HG ' ' A' ' 416' ' ' LEU . 38.8 mtpt -68.33 -33.68 74.73 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-O 121.042 0.449 . . . . 0.0 110.576 176.426 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 419' ' ' ASP . . . . . 0.447 ' O ' ' HE3' ' A' ' 423' ' ' LYS . 21.7 t70 -81.31 -43.34 19.24 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.84 -178.747 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 58.5 t -56.85 -52.78 50.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.965 176.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 56.2 mttm -64.91 -30.63 71.64 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.667 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 422' ' ' GLU . . . . . 0.489 ' HB2' ' O ' ' A' ' 418' ' ' LYS . 6.2 tp10 -64.35 -48.62 74.83 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 120.814 -0.355 . . . . 0.0 110.591 -179.177 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 423' ' ' LYS . . . . . 0.447 ' HE3' ' O ' ' A' ' 419' ' ' ASP . 0.0 OUTLIER -83.25 -22.79 32.97 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.824 0.345 . . . . 0.0 111.639 -178.533 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 8.2 tt -82.51 -63.21 1.42 Allowed 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 178.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -74.1 -37.01 64.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.563 -177.087 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 426' ' ' LYS . . . . . 0.489 ' HA ' ' O ' ' A' ' 422' ' ' GLU . 27.4 mtmm 71.39 128.08 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 122.021 0.915 . . . . 0.0 113.139 175.373 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 427' ' ' GLU . . . . . 0.454 ' HA ' HG21 ' A' ' 431' ' ' THR . 9.8 pt-20 -72.81 -13.45 61.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.586 -1.188 . . . . 0.0 110.892 179.746 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 7.3 m -76.48 -1.2 26.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.046 -174.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 429' ' ' LYS . . . . . 0.413 ' HE3' ' HB3' ' A' ' 429' ' ' LYS . 29.8 mtpp -88.51 -62.4 1.5 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.076 0.465 . . . . 0.0 110.583 177.81 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -173.74 -62.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.075 -0.966 . . . . 0.0 108.712 -176.527 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 431' ' ' THR . . . . . 0.647 ' HB ' ' HD3' ' A' ' 434' ' ' LYS . 81.8 p 55.63 24.29 6.93 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 124.423 1.089 . . . . 0.0 112.738 177.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -83.17 100.66 10.7 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 121.225 0.536 . . . . 0.0 109.751 171.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 133.35 -60.82 0.66 Allowed Glycine 0 N--CA 1.447 -0.613 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.159 -176.364 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 434' ' ' LYS . . . . . 0.647 ' HD3' ' HB ' ' A' ' 431' ' ' THR . 25.6 mmmt 63.58 87.36 0.11 Allowed 'General case' 0 C--O 1.233 0.214 0 C-N-CA 122.997 0.519 . . . . 0.0 110.414 178.23 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -62.64 -34.03 76.24 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.426 -177.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 21.1 tp10 64.64 -91.47 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.016 177.06 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -87.33 -73.93 0.46 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.757 0.313 . . . . 0.0 110.85 -176.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -148.18 117.48 6.9 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.203 0.525 . . . . 0.0 110.881 -178.383 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -129.23 78.7 1.87 Allowed 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 174.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 32.1 m -72.32 116.88 13.27 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.673 -171.19 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 23.6 m 70.38 89.41 0.1 Allowed 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.064 178.391 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . 166.07 -108.18 0.31 Allowed Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.563 178.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 46.4 m . . . . . 0 C--O 1.252 1.214 0 C-N-CA 123.095 0.558 . . . . 0.0 110.733 -177.258 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.742 0 N-CA-C 111.924 -0.47 . . . . 0.0 111.924 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 18.1 m -99.28 76.39 2.06 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.275 0.56 . . . . 0.0 110.082 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -88.29 -15.03 36.85 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.308 -177.173 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 374' ' ' LYS . . . . . . . . . . . . . 97.0 mttt 68.07 29.57 6.26 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.734 -177.273 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 375' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 68.17 -176.41 0.2 Allowed 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 114.553 -1.203 . . . . 0.0 111.094 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 376' ' ' GLN . . . . . 0.413 ' O ' ' HG2' ' A' ' 376' ' ' GLN . 21.3 tt0 -91.56 -0.96 57.65 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.195 0.521 . . . . 0.0 110.325 -179.093 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 377' ' ' THR . . . . . . . . . . . . . 18.3 p -70.54 -70.07 0.32 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.548 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 378' ' ' GLU . . . . . 0.473 ' CD ' ' H ' ' A' ' 379' ' ' SER . 1.4 tm-20 61.77 175.48 0.12 Allowed 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.004 178.395 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 379' ' ' SER . . . . . 0.473 ' H ' ' CD ' ' A' ' 378' ' ' GLU . 62.6 p -55.34 -28.98 57.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.13 -178.747 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -53.2 -51.54 61.77 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.828 176.458 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -60.66 -53.6 55.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.843 179.204 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 382' ' ' ASN . . . . . 0.551 ' O ' HG13 ' A' ' 386' ' ' ILE . 11.0 m120 -60.46 -50.8 72.14 Favored 'General case' 0 CA--C 1.509 -0.628 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.348 -176.328 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 383' ' ' LYS . . . . . 0.798 ' HB3' HD13 ' A' ' 416' ' ' LEU . 13.8 mptt -64.66 -41.44 96.1 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.847 -174.738 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -58.83 -46.57 87.37 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.657 173.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 30.9 mmtm -72.88 -18.5 61.42 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.543 -0.753 . . . . 0.0 112.603 -176.444 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 386' ' ' ILE . . . . . 0.551 HG13 ' O ' ' A' ' 382' ' ' ASN . 96.6 mt -72.96 -46.3 52.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 172.624 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 20.2 m -70.26 -40.18 74.55 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.071 177.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -69.12 -29.11 67.1 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.669 -178.452 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -62.63 -20.2 64.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.822 0.344 . . . . 0.0 111.306 174.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -82.28 -31.1 30.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.085 0.469 . . . . 0.0 109.77 179.49 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 57.1 mttm 60.8 -124.86 0.96 Allowed 'General case' 0 C--O 1.234 0.269 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.559 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -83.92 -16.55 43.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.554 -176.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -72.32 98.58 2.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.849 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 394' ' ' GLN . . . . . 0.507 ' O ' ' HG2' ' A' ' 398' ' ' GLU . 37.4 tt0 -69.98 -41.55 74.28 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.81 -178.8 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 59.6 mmtt -53.64 -49.55 67.66 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 123.197 0.311 . . . . 0.0 111.397 -179.512 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -58.19 -41.76 84.62 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-O 121.394 0.616 . . . . 0.0 110.279 178.42 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 397' ' ' CYS . . . . . 0.417 ' O ' ' HB2' ' A' ' 401' ' ' LYS . 44.0 t -63.08 -49.2 75.42 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.089 -0.959 . . . . 0.0 110.435 177.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 398' ' ' GLU . . . . . 0.507 ' HG2' ' O ' ' A' ' 394' ' ' GLN . 33.8 mm-40 -49.37 -32.49 11.55 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 123.477 0.486 . . . . 0.0 111.757 178.356 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -67.2 -56.04 11.54 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.901 0.381 . . . . 0.0 110.835 176.403 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.456 HD13 HG22 ' A' ' 386' ' ' ILE . 2.9 pp -91.06 12.47 19.75 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.129 0.49 . . . . 0.0 111.772 -175.114 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 401' ' ' LYS . . . . . 0.575 ' HA ' ' HB2' ' A' ' 405' ' ' CYS . 69.5 tttt -68.06 -22.52 64.93 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.79 -171.197 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -66.27 -14.42 61.95 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.324 -176.176 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -81.93 -8.61 59.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.957 0.408 . . . . 0.0 110.791 178.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 404' ' ' GLY . . . . . 0.449 ' CA ' ' HD2' ' A' ' 417' ' ' LYS . . . 118.13 48.58 0.39 Allowed Glycine 0 N--CA 1.443 -0.857 0 C-N-CA 120.421 -0.895 . . . . 0.0 113.065 176.69 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 405' ' ' CYS . . . . . 0.575 ' HB2' ' HA ' ' A' ' 401' ' ' LYS . 94.2 m -111.4 145.62 38.61 Favored 'General case' 0 C--N 1.319 -0.737 0 O-C-N 122.542 -0.387 . . . . 0.0 110.468 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 7.6 p -138.84 123.37 21.01 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 174.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 407' ' ' PHE . . . . . 0.663 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 16.7 t80 -74.22 113.09 11.02 Favored 'General case' 0 N--CA 1.439 -1.021 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 179.091 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -99.77 109.69 22.11 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.401 -175.201 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 15.6 p -67.93 -17.17 64.38 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.532 -176.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -76.43 -21.16 56.3 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.281 -178.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 15.3 m -114.29 -7.3 12.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.937 174.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 5.2 t30 55.01 59.52 3.99 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.122 -0.945 . . . . 0.0 110.624 -177.09 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 4.3 ptpp? -179.28 166.14 1.48 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.942 176.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 414' ' ' CYS . . . . . 0.663 ' HA ' ' HA ' ' A' ' 407' ' ' PHE . 0.5 OUTLIER -83.72 121.37 27.19 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.175 0.512 . . . . 0.0 111.074 178.261 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -116.34 171.85 7.57 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.988 178.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.798 HD13 ' HB3' ' A' ' 383' ' ' LYS . 38.2 tp -75.19 131.36 40.37 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.585 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 417' ' ' LYS . . . . . 0.449 ' HD2' ' CA ' ' A' ' 404' ' ' GLY . 0.0 OUTLIER -67.69 -16.95 64.4 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.873 0.368 . . . . 0.0 111.109 -176.416 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 418' ' ' LYS . . . . . 0.547 ' H ' ' HG ' ' A' ' 416' ' ' LEU . 18.7 ttpp -58.83 -46.56 87.4 Favored 'General case' 0 C--O 1.222 -0.342 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.603 -177.621 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -65.96 -39.62 90.57 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.59 -177.013 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 50.0 t -59.51 -46.93 92.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.574 179.366 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 22.4 ttpp -70.98 -45.3 64.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.292 0.568 . . . . 0.0 110.526 179.159 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -55.53 -56.02 25.08 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.804 -1.089 . . . . 0.0 111.07 -178.343 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 423' ' ' LYS . . . . . 0.46 ' HB2' ' NZ ' ' A' ' 423' ' ' LYS . 4.8 ttmp? -67.4 -32.68 73.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.859 -177.367 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 55.5 tp -67.29 -45.08 77.62 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.264 179.207 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -79.0 -90.52 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.716 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 426' ' ' LYS . . . . . 0.804 ' HB2' ' HG2' ' A' ' 430' ' ' GLU . 28.3 mmtp -160.86 154.29 21.92 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 -172.034 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -93.92 -53.97 3.78 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.305 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 8.8 p -140.52 25.63 2.19 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.93 0.395 . . . . 0.0 110.993 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 429' ' ' LYS . . . . . 0.631 ' HB2' ' HD2' ' A' ' 426' ' ' LYS . 30.5 mmmt -116.24 16.45 15.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.615 -173.596 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 430' ' ' GLU . . . . . 0.804 ' HG2' ' HB2' ' A' ' 426' ' ' LYS . 21.9 mm-40 -87.59 -65.46 1.01 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 111.682 0.253 . . . . 0.0 111.682 -177.71 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 431' ' ' THR . . . . . . . . . . . . . 5.6 t -158.93 -30.97 0.07 Allowed 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 111.933 0.345 . . . . 0.0 111.933 -174.154 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 55.54 71.15 0.57 Allowed 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.386 0.612 . . . . 0.0 110.709 -174.454 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 160.01 144.74 4.06 Favored Glycine 0 N--CA 1.444 -0.777 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.837 -178.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -125.91 -49.79 1.6 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.364 0.126 . . . . 0.0 110.788 -179.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 58.83 40.51 22.77 Favored 'General case' 0 N--CA 1.464 0.235 0 O-C-N 123.665 0.603 . . . . 0.0 110.376 -179.157 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -54.92 -75.08 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.497 179.521 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 4.9 ttmp? -156.86 116.49 3.47 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 175.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . 69.8 12.54 7.99 Favored 'General case' 0 N--CA 1.464 0.261 0 O-C-N 123.88 0.738 . . . . 0.0 110.266 -178.509 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -82.94 106.95 15.19 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.389 176.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 27.8 p 48.75 70.47 0.46 Allowed 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.624 0.726 . . . . 0.0 111.292 -174.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 41.6 m -130.92 97.91 4.46 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.65 -179.472 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . -101.87 -41.6 2.44 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.707 -0.759 . . . . 0.0 111.462 177.137 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 36.0 m . . . . . 0 C--O 1.247 0.949 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 175.925 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.575 0 N-CA-C 111.951 -0.46 . . . . 0.0 111.951 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 36.1 m 59.63 82.33 0.15 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.43 0.633 . . . . 0.0 112.405 178.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.39 15.24 22.34 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.53 0.681 . . . . 0.0 109.691 171.566 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 374' ' ' LYS . . . . . 0.424 ' HB2' ' NZ ' ' A' ' 374' ' ' LYS . 9.9 mtmp? -86.07 120.54 27.56 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.156 -0.929 . . . . 0.0 109.894 177.656 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 375' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -116.47 135.83 53.5 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.799 0.333 . . . . 0.0 110.375 -177.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 55.4 tp60 -72.7 -30.67 64.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.303 0.573 . . . . 0.0 111.075 -175.186 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 377' ' ' THR . . . . . . . . . . . . . 24.3 p -81.93 73.02 8.99 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.265 177.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 378' ' ' GLU . . . . . . . . . . . . . 39.6 tp10 -56.09 -47.61 77.69 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.257 -0.883 . . . . 0.0 111.525 -176.133 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 379' ' ' SER . . . . . 0.511 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 16.4 t -65.63 -46.82 77.81 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.7 -174.558 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -64.5 -40.79 96.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.961 -178.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.21 -57.61 7.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.867 -176.25 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 382' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -65.9 -37.95 87.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.042 -174.271 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 383' ' ' LYS . . . . . 0.511 ' HB2' ' O ' ' A' ' 379' ' ' SER . 12.9 mptt -64.81 -47.07 79.37 Favored 'General case' 0 CA--C 1.519 -0.22 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.345 179.601 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 384' ' ' GLU . . . . . 0.445 ' OE1' ' HB2' ' A' ' 415' ' ' GLU . 8.2 mm-40 -52.09 -48.83 64.52 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.303 174.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.18 -46.26 79.44 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.709 -179.304 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 386' ' ' ILE . . . . . . . . . . . . . 81.7 mt -65.73 -44.27 93.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.342 0.592 . . . . 0.0 110.186 -178.21 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 63.5 m -64.76 -39.04 92.96 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.862 178.171 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -70.33 -21.91 62.86 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.763 -179.504 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -65.84 -19.1 65.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.422 177.212 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -81.99 -24.48 35.42 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.288 0.566 . . . . 0.0 109.503 177.025 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? 57.73 -105.86 0.28 Allowed 'General case' 0 C--O 1.232 0.175 0 CA-C-N 114.819 -1.082 . . . . 0.0 112.107 175.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -104.46 -13.91 15.89 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.779 -1.1 . . . . 0.0 111.128 -172.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -85.05 99.26 10.91 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.175 -175.323 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -59.12 -38.19 79.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.173 -177.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 395' ' ' LYS . . . . . 0.425 ' HD3' ' HA ' ' A' ' 395' ' ' LYS . 71.6 mmtt -61.92 -33.45 74.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.787 -0.188 . . . . 0.0 111.405 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 396' ' ' ALA . . . . . 0.461 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -67.76 -42.16 82.21 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.031 0.444 . . . . 0.0 109.934 175.716 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 38.4 t -60.45 -42.79 96.87 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.753 176.348 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -57.57 -37.4 73.08 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.414 177.107 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -65.52 -41.46 93.11 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.436 -178.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 1.5 pp -108.18 16.18 23.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.001 0.429 . . . . 0.0 111.512 -177.675 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 401' ' ' LYS . . . . . 0.601 ' HG2' ' O ' ' A' ' 405' ' ' CYS . 5.4 tmtt? -58.69 -29.62 66.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.223 -176.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -57.16 -36.25 70.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.602 -179.533 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 403' ' ' LYS . . . . . 0.409 ' HD2' ' N ' ' A' ' 403' ' ' LYS . 0.7 OUTLIER -75.99 7.58 3.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.858 -173.02 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 404' ' ' GLY . . . . . 0.495 ' O ' ' HD2' ' A' ' 417' ' ' LYS . . . 108.9 8.92 27.22 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.838 175.806 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 405' ' ' CYS . . . . . 0.681 ' HB3' ' SG ' ' A' ' 414' ' ' CYS . 71.0 m -87.99 148.29 24.61 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-O 120.91 0.386 . . . . 0.0 110.696 -178.643 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 8.8 p -148.54 134.47 11.89 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 174.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 407' ' ' PHE . . . . . 0.535 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 29.4 t80 -89.18 127.16 35.72 Favored 'General case' 0 N--CA 1.439 -1.021 0 CA-C-O 121.063 0.459 . . . . 0.0 110.343 -178.19 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -100.07 108.81 21.06 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 175.194 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.02 -18.85 62.57 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -177.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -67.62 -66.35 0.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.51 178.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 27.0 m -74.81 -18.73 60.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.901 0.382 . . . . 0.0 110.606 177.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 7.3 t30 67.08 74.88 0.32 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.389 178.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -176.29 155.28 1.46 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.736 169.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 414' ' ' CYS . . . . . 0.681 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 52.2 t -91.36 132.94 35.86 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 176.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 415' ' ' GLU . . . . . 0.445 ' HB2' ' OE1' ' A' ' 384' ' ' GLU . 11.3 pt-20 -145.31 174.07 11.43 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.634 0.254 . . . . 0.0 110.758 -179.447 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.656 ' HB3' ' HE3' ' A' ' 418' ' ' LYS . 55.0 tp -72.3 137.3 46.61 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.394 179.232 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 417' ' ' LYS . . . . . 0.648 ' HG2' ' HB ' ' A' ' 420' ' ' VAL . 0.0 OUTLIER -81.56 71.03 8.56 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 122.974 1.369 . . . . 0.0 111.005 -179.07 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 418' ' ' LYS . . . . . 0.656 ' HE3' ' HB3' ' A' ' 416' ' ' LEU . 2.6 mptt -60.61 -29.55 69.3 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 114.654 -1.157 . . . . 0.0 109.742 179.283 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -59.73 -46.47 89.01 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.655 -1.157 . . . . 0.0 111.083 -177.628 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 420' ' ' VAL . . . . . 0.648 ' HB ' ' HG2' ' A' ' 417' ' ' LYS . 95.8 t -70.77 -46.57 68.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.196 -178.249 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 19.5 ttpp -64.51 -41.73 96.24 Favored 'General case' 0 CA--C 1.52 -0.197 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.606 -177.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -61.93 -40.97 97.35 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.488 -177.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 40.7 tptt -77.41 -22.2 51.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.976 0.417 . . . . 0.0 111.423 -176.141 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 42.7 tp -92.88 -41.09 10.25 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.879 -177.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 425' ' ' GLU . . . . . 0.722 ' HG2' ' HA ' ' A' ' 428' ' ' SER . 28.9 tt0 -79.41 -35.36 40.73 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.355 -177.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 99.3 mttt 61.8 -91.25 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.504 -0.771 . . . . 0.0 112.19 177.144 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -100.87 31.17 3.67 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.566 -172.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 428' ' ' SER . . . . . 0.722 ' HA ' ' HG2' ' A' ' 425' ' ' GLU . 33.2 p 47.6 69.85 0.48 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.751 0.786 . . . . 0.0 110.234 -172.102 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -86.22 32.39 0.62 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.239 -175.467 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -86.61 22.31 1.94 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.694 -178.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 431' ' ' THR . . . . . . . . . . . . . 8.0 t -79.83 -12.34 59.77 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.002 176.355 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 62.78 77.37 0.33 Allowed 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.522 -179.293 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -129.61 99.01 0.45 Allowed Glycine 0 N--CA 1.445 -0.717 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.942 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -98.95 -69.23 0.77 Allowed 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 178.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 435' ' ' ASP . . . . . 0.425 ' HA ' ' HB3' ' A' ' 438' ' ' ALA . 12.4 m-20 61.04 19.6 10.08 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.506 -0.77 . . . . 0.0 113.044 170.341 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -80.69 124.78 29.31 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.07 -0.344 . . . . 0.0 110.07 -178.47 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp 59.33 26.11 14.91 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 121.59 0.709 . . . . 0.0 109.863 -174.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 438' ' ' ALA . . . . . 0.425 ' HB3' ' HA ' ' A' ' 435' ' ' ASP . . . -126.67 -65.35 0.97 Allowed 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 114.999 -1.001 . . . . 0.0 110.627 -174.066 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -95.2 -81.86 0.39 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 10.2 m 51.95 73.12 0.34 Allowed 'General case' 0 CA--C 1.535 0.371 0 O-C-N 123.53 0.519 . . . . 0.0 111.563 178.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 43.8 p 51.27 95.0 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.77 0.828 . . . . 0.0 112.8 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . -92.79 -81.49 1.48 Allowed Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.031 179.439 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 C--O 1.246 0.891 0 CA-C-O 118.72 -0.657 . . . . 0.0 110.208 179.868 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.655 0 N-CA-C 111.606 -0.598 . . . . 0.0 111.606 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 25.5 t -122.11 135.54 54.81 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 176.34 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -98.93 2.66 46.72 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.108 0.48 . . . . 0.0 110.185 -178.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 374' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -71.56 -7.09 45.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.167 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 375' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -150.17 107.32 3.59 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 179.142 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -82.04 -75.84 0.28 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -174.499 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 377' ' ' THR . . . . . 0.4 HG23 ' H ' ' A' ' 380' ' ' ALA . 2.4 t -125.95 142.06 51.69 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-O 121.554 0.692 . . . . 0.0 112.528 -174.383 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 378' ' ' GLU . . . . . . . . . . . . . 3.7 pm0 -59.9 -32.17 70.5 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.175 -1.375 . . . . 0.0 111.18 174.163 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 379' ' ' SER . . . . . 0.439 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 36.5 m -60.28 -55.63 31.41 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.404 -178.113 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 380' ' ' ALA . . . . . 0.4 ' H ' HG23 ' A' ' 377' ' ' THR . . . -69.26 -37.2 77.81 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.778 0.323 . . . . 0.0 110.304 178.193 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -53.03 -60.15 3.64 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.624 -179.229 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 382' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -74.54 -34.29 62.95 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.135 -175.112 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 383' ' ' LYS . . . . . 0.63 ' HB3' HD13 ' A' ' 416' ' ' LEU . 5.7 mptp? -61.67 -54.31 44.44 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.151 178.562 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -54.16 -44.25 71.29 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.03 0.443 . . . . 0.0 110.608 176.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.26 -52.88 63.74 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.025 -179.661 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 386' ' ' ILE . . . . . . . . . . . . . 81.6 mt -67.31 -41.96 87.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.309 -175.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 387' ' ' CYS . . . . . 0.475 ' O ' ' HB3' ' A' ' 414' ' ' CYS . 74.0 m -62.32 -43.54 98.6 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.582 176.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -76.98 -20.04 56.58 Favored 'General case' 0 N--CA 1.463 0.225 0 C-N-CA 120.935 -0.306 . . . . 0.0 111.017 -176.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -68.55 -17.02 64.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.922 0.391 . . . . 0.0 111.051 177.347 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 390' ' ' ALA . . . . . 0.485 ' HB2' HD21 ' A' ' 400' ' ' LEU . . . -82.68 -24.81 33.53 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 177.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp 56.76 -145.58 0.6 Allowed 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.238 -0.892 . . . . 0.0 112.549 176.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -74.7 -7.66 53.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.291 -175.525 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 45.9 t-20 -78.28 103.01 7.95 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -68.24 -37.71 81.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.087 -176.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -55.94 -52.14 65.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.013 0.435 . . . . 0.0 110.169 178.183 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 396' ' ' ALA . . . . . 0.41 ' O ' ' HB2' ' A' ' 399' ' ' ASN . . . -61.21 -35.71 77.93 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.904 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 397' ' ' CYS . . . . . 0.402 ' HB2' ' HB2' ' A' ' 414' ' ' CYS . 52.7 t -61.49 -50.01 74.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.261 176.264 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 398' ' ' GLU . . . . . 0.507 ' HA ' ' HB2' ' A' ' 401' ' ' LYS . 12.8 mm-40 -62.32 -22.23 65.9 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.395 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 399' ' ' ASN . . . . . 0.41 ' HB2' ' O ' ' A' ' 396' ' ' ALA . 20.4 m-80 -68.2 -52.96 28.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.044 0.45 . . . . 0.0 110.459 175.152 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.485 HD21 ' HB2' ' A' ' 390' ' ' ALA . 2.0 pp -91.64 11.5 24.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.373 0.606 . . . . 0.0 110.796 -179.346 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 401' ' ' LYS . . . . . 0.507 ' HB2' ' HA ' ' A' ' 398' ' ' GLU . 4.2 tmtp? -54.57 -35.12 62.97 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.534 -178.612 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -66.77 -10.34 46.33 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.319 -177.115 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -95.28 15.77 18.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.919 0.39 . . . . 0.0 111.137 -179.036 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 91.6 22.04 32.55 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.766 174.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 405' ' ' CYS . . . . . 0.454 ' HB3' ' SG ' ' A' ' 414' ' ' CYS . 71.5 m -104.41 131.06 52.2 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.814 0.34 . . . . 0.0 110.404 179.774 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 79.6 t -128.98 115.8 38.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.328 -0.396 . . . . 0.0 109.956 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 407' ' ' PHE . . . . . 0.746 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 25.9 t80 -58.36 121.15 10.12 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.464 178.785 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 35.6 t30 -107.29 112.05 24.72 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.419 -179.126 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 7.8 p -70.47 -11.79 61.15 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.618 -175.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -72.43 -43.37 63.9 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.074 0.464 . . . . 0.0 110.387 176.466 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 9.4 p -91.72 -10.05 41.53 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.122 0.487 . . . . 0.0 109.978 175.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 4.9 t30 66.57 23.65 10.34 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.726 177.11 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -142.43 164.53 29.88 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.493 179.198 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 414' ' ' CYS . . . . . 0.746 ' HA ' ' HA ' ' A' ' 407' ' ' PHE . 17.5 t -67.95 115.1 7.08 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 174.315 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 415' ' ' GLU . . . . . 0.514 ' OE1' ' HG2' ' A' ' 421' ' ' LYS . 21.5 tt0 -113.26 160.76 17.97 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 -174.185 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.63 HD13 ' HB3' ' A' ' 383' ' ' LYS . 35.1 tp -61.29 143.82 54.99 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 172.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 417' ' ' LYS . . . . . 0.533 ' HE3' HG23 ' A' ' 420' ' ' VAL . 57.1 pttt -46.2 134.37 8.62 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 121.259 0.552 . . . . 0.0 111.597 -172.777 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 418' ' ' LYS . . . . . 0.643 ' O ' ' HG2' ' A' ' 422' ' ' GLU . 0.0 OUTLIER -57.19 -33.88 67.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.801 -169.444 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -49.27 -63.92 0.96 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.928 -177.38 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 420' ' ' VAL . . . . . 0.533 HG23 ' HE3' ' A' ' 417' ' ' LYS . 90.4 t -71.98 -32.04 42.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.735 -178.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 421' ' ' LYS . . . . . 0.514 ' HG2' ' OE1' ' A' ' 415' ' ' GLU . 19.3 tptp -60.83 -48.4 81.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.002 -178.611 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 422' ' ' GLU . . . . . 0.643 ' HG2' ' O ' ' A' ' 418' ' ' LYS . 14.7 mm-40 -64.5 -44.88 89.52 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.006 178.716 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -62.96 -15.52 56.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.498 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 58.8 tp -87.63 -52.08 5.53 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.923 178.39 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -89.24 -17.3 29.32 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -172.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -73.96 103.63 4.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.139 0.495 . . . . 0.0 110.375 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -145.19 -34.03 0.35 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.916 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 20.1 m -98.55 80.21 2.56 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.095 0.474 . . . . 0.0 110.681 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 48.0 pttt -103.37 -48.65 3.93 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.212 -0.449 . . . . 0.0 112.027 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 430' ' ' GLU . . . . . 0.454 ' O ' HG22 ' A' ' 431' ' ' THR . 22.5 tp10 -86.04 93.92 9.11 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.896 -176.412 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 431' ' ' THR . . . . . 0.454 HG22 ' O ' ' A' ' 430' ' ' GLU . 2.1 t 52.43 13.82 0.33 Allowed 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.695 1.198 . . . . 0.0 112.728 179.579 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 62.9 17.61 10.14 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.083 0.553 . . . . 0.0 111.762 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 96.1 149.79 26.09 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.658 -0.782 . . . . 0.0 111.715 -178.341 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 58.8 tptt 67.81 95.99 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.186 0.517 . . . . 0.0 110.361 -178.591 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -85.66 -19.36 31.05 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.007 -177.081 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 57.84 -87.75 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.754 -178.231 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -164.81 101.23 0.78 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.993 -1.003 . . . . 0.0 108.571 177.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . 65.59 75.98 0.34 Allowed 'General case' 0 C--N 1.329 -0.313 0 O-C-N 123.794 0.684 . . . . 0.0 110.622 -175.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -111.47 106.67 15.64 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.99 178.614 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 29.1 m -128.49 -36.54 1.87 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.726 172.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 21.0 m 59.88 70.72 0.62 Allowed 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.822 177.049 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . -92.8 103.79 3.1 Favored Glycine 0 N--CA 1.447 -0.577 0 CA-C-N 115.46 -0.791 . . . . 0.0 112.143 -178.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 46.9 m . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.451 -0.785 . . . . 0.0 109.766 178.55 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.863 0 N-CA-C 112.0 -0.44 . . . . 0.0 112.0 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 47.9 m 59.43 -159.54 0.3 Allowed 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 122.454 0.301 . . . . 0.0 110.561 -179.231 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -73.88 -20.74 60.32 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 177.221 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 374' ' ' LYS . . . . . . . . . . . . . 64.8 tttm 71.14 93.68 0.08 Allowed 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.447 175.485 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 375' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -135.7 103.68 5.51 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.07 -0.968 . . . . 0.0 109.524 177.335 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -116.39 0.12 12.7 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.015 -176.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 377' ' ' THR . . . . . . . . . . . . . 1.3 t -47.52 -60.56 2.45 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 115.157 -0.929 . . . . 0.0 113.356 -172.242 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 378' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -79.8 -22.72 42.75 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 122.005 -0.435 . . . . 0.0 111.126 -175.041 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 379' ' ' SER . . . . . 0.491 ' O ' ' HD3' ' A' ' 383' ' ' LYS . 33.1 t -63.69 -61.15 2.5 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.159 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -65.78 -39.58 91.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.888 -179.409 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -59.42 -55.51 33.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.776 -175.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 382' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.83 -35.19 76.67 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.835 -174.278 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 383' ' ' LYS . . . . . 0.491 ' HD3' ' O ' ' A' ' 379' ' ' SER . 6.1 mptp? -61.22 -53.63 54.46 Favored 'General case' 0 CA--C 1.521 -0.154 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 176.629 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -56.79 -42.37 79.35 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.949 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -60.6 -47.51 85.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.154 -179.022 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 386' ' ' ILE . . . . . 0.708 HD13 ' HD3' ' A' ' 403' ' ' LYS . 93.1 mt -64.51 -42.6 95.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.061 -177.567 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 61.4 m -62.65 -44.22 96.82 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.754 176.632 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.47 -17.77 61.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.279 -175.683 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -68.69 -13.64 62.5 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.876 0.37 . . . . 0.0 111.4 176.67 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -88.11 -18.45 28.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.12 0.486 . . . . 0.0 109.986 176.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 92.6 mttt 54.61 -106.23 0.31 Allowed 'General case' 0 C--O 1.235 0.305 0 CA-C-N 114.802 -1.09 . . . . 0.0 112.613 175.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -107.53 -4.64 18.18 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.182 -173.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -90.73 105.82 18.09 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.3 0.571 . . . . 0.0 110.852 -176.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 394' ' ' GLN . . . . . 0.42 ' HA ' ' CD2' ' A' ' 407' ' ' PHE . 64.9 tt0 -61.25 -41.82 97.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.208 -179.038 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -58.11 -47.56 82.89 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.51 -177.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 396' ' ' ALA . . . . . 0.412 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -64.45 -37.27 86.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.976 178.588 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 397' ' ' CYS . . . . . 0.484 ' SG ' ' HB2' ' A' ' 407' ' ' PHE . 41.9 t -61.16 -52.67 63.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.646 178.55 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 398' ' ' GLU . . . . . 0.444 ' HA ' ' HB2' ' A' ' 401' ' ' LYS . 63.2 mm-40 -60.76 -24.22 65.58 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.262 -178.703 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -66.84 -59.33 3.63 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.948 0.404 . . . . 0.0 110.607 174.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 2.1 pp -84.17 7.6 18.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.211 0.529 . . . . 0.0 111.311 -176.579 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 401' ' ' LYS . . . . . 0.54 ' HA ' ' HB2' ' A' ' 405' ' ' CYS . 83.1 tttt -61.4 -20.56 63.19 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.257 -0.883 . . . . 0.0 111.225 -178.682 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -59.76 -20.5 57.03 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.059 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 403' ' ' LYS . . . . . 0.708 ' HD3' HD13 ' A' ' 386' ' ' ILE . 99.7 mttt -89.63 5.24 46.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.361 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 404' ' ' GLY . . . . . 0.437 ' C ' ' HE3' ' A' ' 417' ' ' LYS . . . 99.84 55.41 1.0 Allowed Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.889 -0.672 . . . . 0.0 113.053 176.009 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 405' ' ' CYS . . . . . 0.54 ' HB2' ' HA ' ' A' ' 401' ' ' LYS . 79.6 m -124.65 172.2 9.46 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.837 0.351 . . . . 0.0 110.727 -179.349 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 7.4 p -158.67 125.75 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.058 173.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 407' ' ' PHE . . . . . 0.492 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 26.3 t80 -86.75 118.91 26.46 Favored 'General case' 0 N--CA 1.437 -1.103 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 174.545 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -99.68 110.63 23.03 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 1.3 p -66.56 -30.93 71.35 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 111.763 0.283 . . . . 0.0 111.763 -175.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 21.7 tp10 -58.65 -49.44 77.54 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.081 0.467 . . . . 0.0 110.662 176.252 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 10.4 m -81.54 -21.35 38.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.301 179.102 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 57.2 t30 59.44 61.47 2.01 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.524 -177.208 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 23.3 pttp -168.88 154.18 6.18 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.347 175.483 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 414' ' ' CYS . . . . . 0.492 ' HA ' ' HA ' ' A' ' 407' ' ' PHE . 41.9 t -92.75 117.74 30.32 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 176.159 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -130.27 158.33 40.07 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.714 -173.111 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.485 HD13 ' HB3' ' A' ' 383' ' ' LYS . 39.3 tp -72.23 127.99 34.26 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 170.156 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 417' ' ' LYS . . . . . 0.445 ' O ' ' HG3' ' A' ' 421' ' ' LYS . 0.0 OUTLIER -77.3 37.36 0.2 Allowed 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 121.312 0.577 . . . . 0.0 111.096 -177.674 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 418' ' ' LYS . . . . . 0.434 ' O ' ' HB2' ' A' ' 422' ' ' GLU . 3.7 ptmm? -61.28 -21.73 64.2 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.867 -178.359 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 419' ' ' ASP . . . . . 0.612 ' O ' ' HE3' ' A' ' 423' ' ' LYS . 14.4 p-10 -86.28 -36.23 19.46 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.695 -177.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 420' ' ' VAL . . . . . 0.446 ' O ' ' HB2' ' A' ' 424' ' ' LEU . 58.8 t -61.08 -43.63 96.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 172.518 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 421' ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' A' ' 417' ' ' LYS . 46.7 mtpt -69.79 -32.56 71.11 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.641 178.234 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 422' ' ' GLU . . . . . 0.434 ' HB2' ' O ' ' A' ' 418' ' ' LYS . 32.7 tt0 -62.92 -49.46 74.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.993 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 423' ' ' LYS . . . . . 0.612 ' HE3' ' O ' ' A' ' 419' ' ' ASP . 0.0 OUTLIER -82.84 -2.03 53.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.934 177.769 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 424' ' ' LEU . . . . . 0.446 ' HB2' ' O ' ' A' ' 420' ' ' VAL . 9.2 tt -86.57 -48.81 8.03 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 174.248 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -71.55 -28.86 64.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.104 176.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 66.0 mttm 63.58 18.64 11.23 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 169.246 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -85.62 -63.1 1.38 Allowed 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.494 -0.482 . . . . 0.0 110.204 178.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 47.4 m -79.61 90.44 5.15 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.031 0.443 . . . . 0.0 110.221 177.329 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm -114.77 -23.44 9.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.625 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 70.99 -40.86 0.49 Allowed 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.57 0.748 . . . . 0.0 110.773 -175.486 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 431' ' ' THR . . . . . . . . . . . . . 16.1 m -57.77 -44.28 86.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.634 0.73 . . . . 0.0 109.769 171.265 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -147.99 128.61 14.15 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 114.932 -1.031 . . . . 0.0 109.755 178.197 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -121.37 -51.01 0.25 Allowed Glycine 0 N--CA 1.449 -0.485 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 175.006 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 434' ' ' LYS . . . . . 0.472 ' HE2' ' HA ' ' A' ' 436' ' ' GLU . 21.9 ptmt -177.06 170.96 2.17 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 177.341 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -61.93 -35.04 77.23 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 176.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 436' ' ' GLU . . . . . 0.472 ' HA ' ' HE2' ' A' ' 434' ' ' LYS . 0.9 OUTLIER 70.26 -73.45 0.09 Allowed 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.012 -0.994 . . . . 0.0 111.385 172.479 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -154.84 -60.22 0.11 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.868 0.366 . . . . 0.0 110.622 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -137.08 114.41 10.89 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.198 -175.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -139.44 155.68 47.45 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.038 176.524 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 8.0 m -91.0 -18.52 24.49 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.064 0.459 . . . . 0.0 111.583 -171.121 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 16.3 m -86.31 156.54 20.19 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.524 -179.077 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . -73.04 73.36 1.05 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 121.001 -0.619 . . . . 0.0 112.3 176.429 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 11.4 m . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.513 -0.756 . . . . 0.0 110.012 178.431 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.678 0 N-CA-C 111.663 -0.575 . . . . 0.0 111.663 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 19.4 p -117.4 -76.77 0.57 Allowed 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 120.776 0.322 . . . . 0.0 110.602 179.533 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 36.0 mtmm -89.89 83.54 6.17 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.285 0.564 . . . . 0.0 111.067 -179.473 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 374' ' ' LYS . . . . . 0.407 ' HD3' ' HA ' ' A' ' 374' ' ' LYS . 25.4 mmtm -102.34 2.48 36.86 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.013 172.518 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 375' ' ' GLN . . . . . 0.526 ' HG2' HG23 ' A' ' 377' ' ' THR . 58.8 tt0 -143.37 91.0 2.22 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.951 -179.144 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -95.08 82.08 3.75 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.362 0.601 . . . . 0.0 109.581 178.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 377' ' ' THR . . . . . 0.526 HG23 ' HG2' ' A' ' 375' ' ' GLN . 3.1 p -85.1 89.26 7.58 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.793 -176.532 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 378' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.87 -35.95 77.52 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.028 0.442 . . . . 0.0 110.359 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 379' ' ' SER . . . . . 0.498 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 16.4 m -62.77 -44.49 96.05 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.645 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -71.4 -40.96 70.17 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.466 178.17 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -65.13 -50.05 67.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.452 -176.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 382' ' ' ASN . . . . . 0.504 ' O ' HG13 ' A' ' 386' ' ' ILE . 1.7 p30 -68.79 -33.85 74.57 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 121.004 -0.278 . . . . 0.0 110.514 -177.133 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 383' ' ' LYS . . . . . 0.61 ' HB3' HD22 ' A' ' 416' ' ' LEU . 13.0 mptt -68.56 -43.02 77.5 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 178.115 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 384' ' ' GLU . . . . . 0.48 ' HA ' ' HB2' ' A' ' 416' ' ' LEU . 25.5 tt0 -64.0 -38.95 92.95 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.77 177.527 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 58.6 tptt -59.39 -33.52 71.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.789 0.328 . . . . 0.0 110.653 176.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 386' ' ' ILE . . . . . 0.504 HG13 ' O ' ' A' ' 382' ' ' ASN . 83.2 mt -62.73 -44.96 99.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.458 0.647 . . . . 0.0 109.34 176.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 30.8 m -71.08 -38.46 72.42 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.803 -1.089 . . . . 0.0 111.127 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -67.93 -23.73 65.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.703 0.287 . . . . 0.0 110.945 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -72.78 -1.78 17.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.023 0.44 . . . . 0.0 111.096 176.234 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -101.92 3.86 39.5 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 176.352 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 391' ' ' LYS . . . . . 0.516 ' HG3' ' H ' ' A' ' 393' ' ' ASN . 4.5 ptpp? 44.15 -151.86 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 114.871 -1.058 . . . . 0.0 113.079 177.119 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 392' ' ' ASP . . . . . 0.653 ' HA ' ' HA ' ' A' ' 413' ' ' LYS . 5.2 p-10 -85.76 6.09 29.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.146 0.498 . . . . 0.0 110.097 178.344 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 393' ' ' ASN . . . . . 0.516 ' H ' ' HG3' ' A' ' 391' ' ' LYS . 19.1 t-20 -80.51 110.23 15.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.862 178.197 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -68.63 -34.06 75.09 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.634 -174.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -58.76 -45.32 90.01 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 177.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 396' ' ' ALA . . . . . 0.453 ' HA ' ' ND2' ' A' ' 399' ' ' ASN . . . -60.04 -44.68 94.5 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.298 176.422 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 9.5 t -59.55 -42.09 91.61 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.194 178.393 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 398' ' ' GLU . . . . . 0.739 ' HA ' ' HB2' ' A' ' 401' ' ' LYS . 49.3 mm-40 -61.76 -30.82 71.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.131 177.573 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 399' ' ' ASN . . . . . 0.453 ' ND2' ' HA ' ' A' ' 396' ' ' ALA . 89.9 m-20 -63.68 -37.13 86.17 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.033 0.444 . . . . 0.0 110.685 178.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.516 HD12 ' SG ' ' A' ' 405' ' ' CYS . 0.2 OUTLIER -114.44 21.58 14.46 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.344 0.592 . . . . 0.0 111.367 178.497 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 401' ' ' LYS . . . . . 0.739 ' HB2' ' HA ' ' A' ' 398' ' ' GLU . 20.9 tptm -58.51 -47.65 83.44 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.252 -0.886 . . . . 0.0 111.367 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.51 1.25 17.16 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.462 -175.497 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -97.97 6.21 47.95 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.753 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 113.56 -2.23 24.84 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.683 175.659 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 405' ' ' CYS . . . . . 0.516 ' SG ' HD12 ' A' ' 400' ' ' LEU . 66.7 m -94.34 140.87 29.24 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.853 0.358 . . . . 0.0 111.064 -177.286 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 8.1 p -132.98 149.37 31.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 178.079 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 407' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -81.83 133.93 35.37 Favored 'General case' 0 N--CA 1.441 -0.916 0 C-N-CA 120.379 -0.528 . . . . 0.0 110.277 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -98.68 107.18 19.56 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.191 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 14.6 p -82.56 -8.11 59.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.927 0.394 . . . . 0.0 111.561 -177.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -87.62 -51.09 6.09 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.895 -177.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 5.7 m -92.92 -16.02 25.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.745 179.389 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 12.1 t30 67.74 82.04 0.18 Allowed 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.014 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 413' ' ' LYS . . . . . 0.653 ' HA ' ' HA ' ' A' ' 392' ' ' ASP . 22.5 pttp 177.69 162.1 0.55 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.256 177.617 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 414' ' ' CYS . . . . . . . . . . . . . 40.3 t -83.1 132.18 35.11 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 172.539 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 62.2 tt0 -139.49 148.36 42.58 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.59 -173.068 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.61 HD22 ' HB3' ' A' ' 383' ' ' LYS . 25.7 tp -70.46 124.29 23.85 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 173.104 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 417' ' ' LYS . . . . . 0.543 ' HD2' HG21 ' A' ' 420' ' ' VAL . 44.8 pttt -74.12 81.49 1.77 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 122.534 1.159 . . . . 0.0 109.964 176.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 418' ' ' LYS . . . . . 0.525 ' O ' ' HB2' ' A' ' 422' ' ' GLU . 7.3 ptpt -65.58 -14.98 62.25 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 113.793 -1.549 . . . . 0.0 111.08 -176.309 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -70.52 -43.17 70.18 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.495 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 420' ' ' VAL . . . . . 0.543 HG21 ' HD2' ' A' ' 417' ' ' LYS . 58.5 t -69.94 -43.06 79.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.699 177.451 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -58.51 -42.61 88.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.299 177.347 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 422' ' ' GLU . . . . . 0.525 ' HB2' ' O ' ' A' ' 418' ' ' LYS . 4.0 tp10 -66.7 -34.64 78.31 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.85 -174.808 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 423' ' ' LYS . . . . . 0.602 ' O ' ' HE3' ' A' ' 429' ' ' LYS . 32.8 mtmm -71.16 -32.21 68.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.922 0.392 . . . . 0.0 111.032 179.354 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 95.3 mt -75.6 -42.93 50.56 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.097 0.475 . . . . 0.0 110.224 178.293 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -87.08 4.34 42.5 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.415 -0.812 . . . . 0.0 111.913 -179.081 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? -64.29 98.44 0.23 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 173.432 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 62.91 14.34 7.38 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.287 -170.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 5.5 t 43.52 67.17 0.69 Allowed 'General case' 0 C--N 1.341 0.197 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.825 -177.692 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 429' ' ' LYS . . . . . 0.602 ' HE3' ' O ' ' A' ' 423' ' ' LYS . 21.4 pttp -84.07 -24.3 30.45 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.844 -173.697 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -140.68 112.25 7.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.639 0.257 . . . . 0.0 111.143 -176.409 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 431' ' ' THR . . . . . . . . . . . . . 38.5 p -102.02 -17.56 16.02 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.545 174.437 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 64.99 -85.73 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.456 0.702 . . . . 0.0 112.264 177.484 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -72.75 83.07 0.59 Allowed Glycine 0 C--N 1.312 -0.755 0 CA-C-N 115.405 -0.816 . . . . 0.0 112.565 -177.248 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 55.7 tttp -104.88 98.8 8.47 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 178.225 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -81.61 66.44 7.18 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.456 -178.186 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -80.47 -73.0 0.38 Allowed 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 175.539 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -141.24 -11.3 0.95 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.109 171.203 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -80.84 14.08 2.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.941 -172.535 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -85.5 -14.26 46.52 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.148 -178.186 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 2.0 p -140.65 19.18 2.35 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.787 0.291 . . . . 0.0 111.787 -179.49 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 17.6 p -87.61 -26.48 23.04 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.919 0.39 . . . . 0.0 111.689 -178.114 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . -68.75 -35.56 80.41 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 121.033 -0.603 . . . . 0.0 112.61 -177.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 20.0 t . . . . . 0 C--O 1.246 0.878 0 CA-C-O 118.873 -0.584 . . . . 0.0 110.001 179.019 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.764 0 N-CA-C 111.701 -0.56 . . . . 0.0 111.701 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 8.8 t -88.83 56.5 3.76 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.93 0.395 . . . . 0.0 110.926 -176.659 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm 59.24 27.56 16.63 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.434 174.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 374' ' ' LYS . . . . . 0.453 ' HG2' ' H ' ' A' ' 376' ' ' GLN . 39.0 ttmt -84.06 111.46 19.33 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.116 0.484 . . . . 0.0 110.479 -179.27 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 375' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -91.09 25.81 2.35 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.41 -178.616 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 376' ' ' GLN . . . . . 0.453 ' H ' ' HG2' ' A' ' 374' ' ' LYS . 24.5 tt0 -135.09 102.68 5.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.356 -176.57 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 377' ' ' THR . . . . . . . . . . . . . 19.4 p -120.39 -76.68 0.58 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.99 0.424 . . . . 0.0 110.702 178.442 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 378' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -65.55 -34.61 78.66 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.269 179.577 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 379' ' ' SER . . . . . 0.447 ' HB2' ' HG3' ' A' ' 376' ' ' GLN . 18.2 m -53.0 -50.33 64.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.47 178.383 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -67.24 -44.3 79.79 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.321 178.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -59.24 -53.09 62.25 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.197 -173.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 382' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -80.65 -30.9 36.59 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.739 -0.385 . . . . 0.0 111.352 -172.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 383' ' ' LYS . . . . . 0.683 ' HB3' HD13 ' A' ' 416' ' ' LEU . 6.5 mptp? -68.84 -38.19 79.66 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 175.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 384' ' ' GLU . . . . . 0.407 ' HA ' ' HB2' ' A' ' 416' ' ' LEU . 40.0 tt0 -57.25 -42.44 81.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.267 -0.878 . . . . 0.0 109.908 173.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -60.74 -35.49 76.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.932 178.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 386' ' ' ILE . . . . . . . . . . . . . 83.6 mt -65.32 -45.0 94.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.331 0.586 . . . . 0.0 109.596 178.434 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 31.7 m -66.61 -37.91 85.86 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.316 177.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -66.64 -25.88 66.79 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.734 178.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -68.07 -19.47 64.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.233 176.578 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -89.8 -25.45 21.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.115 178.494 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt 57.77 -132.86 1.24 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.702 176.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 392' ' ' ASP . . . . . 0.563 ' HA ' ' HA ' ' A' ' 413' ' ' LYS . 6.8 m-20 -89.73 13.11 15.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.044 -176.262 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -94.24 106.13 18.11 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.007 0.432 . . . . 0.0 110.254 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -67.91 -37.74 82.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.235 -176.063 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 395' ' ' LYS . . . . . 0.958 ' HA ' ' HE2' ' A' ' 395' ' ' LYS . 6.7 mmpt? -54.69 -47.84 73.17 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 123.138 0.273 . . . . 0.0 111.057 177.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 396' ' ' ALA . . . . . 0.617 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -61.7 -42.31 98.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.839 0.352 . . . . 0.0 110.474 177.321 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 397' ' ' CYS . . . . . 0.48 ' HA ' HD11 ' A' ' 400' ' ' LEU . 25.9 t -60.55 -46.42 90.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.432 178.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -56.34 -35.81 68.04 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.978 177.213 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -70.8 -38.47 73.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.228 -179.081 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.617 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 1.3 pp -105.25 20.88 18.12 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.95 0.405 . . . . 0.0 111.43 -179.274 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -52.14 -38.46 57.62 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.759 173.551 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -62.57 -18.09 61.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.774 -179.399 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 403' ' ' LYS . . . . . 0.54 ' HD2' ' HB2' ' A' ' 400' ' ' LEU . 93.9 mttt -90.35 6.03 44.84 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.967 0.413 . . . . 0.0 110.805 -177.364 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 94.45 13.92 52.32 Favored Glycine 0 C--N 1.33 0.234 0 C-N-CA 120.936 -0.65 . . . . 0.0 113.133 174.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 405' ' ' CYS . . . . . 0.673 ' HB3' ' SG ' ' A' ' 414' ' ' CYS . 82.5 m -91.53 131.87 36.66 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.883 0.373 . . . . 0.0 110.857 -179.151 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 7.6 p -121.92 135.64 61.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.521 178.247 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 407' ' ' PHE . . . . . 0.403 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 22.9 t80 -90.46 126.93 36.06 Favored 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 177.714 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 408' ' ' ASN . . . . . 0.489 ' HB3' ' HB2' ' A' ' 411' ' ' SER . 4.5 t-20 -107.1 133.07 52.26 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 177.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 7.7 p -73.3 -28.16 61.95 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.564 0.221 . . . . 0.0 111.428 -179.185 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -76.12 -49.97 15.92 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 178.069 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 411' ' ' SER . . . . . 0.489 ' HB2' ' HB3' ' A' ' 408' ' ' ASN . 49.3 m -62.38 -29.31 70.38 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.435 173.222 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 7.4 t30 71.72 9.44 6.27 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.188 178.393 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 413' ' ' LYS . . . . . 0.563 ' HA ' ' HA ' ' A' ' 392' ' ' ASP . 1.0 OUTLIER -139.4 170.82 15.24 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.501 -176.141 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 414' ' ' CYS . . . . . 0.673 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 42.6 t -94.74 124.55 38.85 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.922 177.03 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -132.51 166.97 20.84 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 178.637 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.683 HD13 ' HB3' ' A' ' 383' ' ' LYS . 44.6 tp -64.78 155.39 33.98 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 -178.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 417' ' ' LYS . . . . . 0.421 ' HD3' ' HG ' ' A' ' 416' ' ' LEU . 0.0 OUTLIER -72.51 25.78 0.05 Allowed 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 121.422 0.629 . . . . 0.0 110.799 177.837 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 418' ' ' LYS . . . . . 0.531 ' H ' ' C ' ' A' ' 416' ' ' LEU . 21.6 pttp -59.26 -29.72 67.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.129 175.255 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -82.6 -28.99 30.47 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.119 179.501 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 76.4 t -67.43 -46.82 82.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 173.627 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 18.7 ttmm -62.32 -38.57 89.93 Favored 'General case' 0 C--O 1.22 -0.48 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.377 173.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -59.82 -36.18 76.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 120.972 0.415 . . . . 0.0 110.38 179.589 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -91.62 -7.84 48.93 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.22 -178.82 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -99.8 -45.27 5.79 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.223 0.535 . . . . 0.0 109.742 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -80.3 -47.89 13.84 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.397 -179.336 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt 55.99 -87.68 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 113.129 0.789 . . . . 0.0 113.129 174.65 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -112.18 -62.96 1.49 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.756 -174.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 16.3 p -122.89 -92.78 0.53 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.567 175.48 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 429' ' ' LYS . . . . . 0.652 ' HA ' ' HE2' ' A' ' 429' ' ' LYS . 9.1 mmpt? 67.93 -49.29 0.53 Allowed 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.188 0.995 . . . . 0.0 112.549 173.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -65.81 -35.09 79.72 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.14 0.495 . . . . 0.0 110.587 -176.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 431' ' ' THR . . . . . . . . . . . . . 8.9 t -83.88 -2.03 55.64 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.573 -178.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -133.79 94.25 3.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.395 0.617 . . . . 0.0 111.049 -176.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -179.38 -159.29 23.18 Favored Glycine 0 N--CA 1.439 -1.137 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 434' ' ' LYS . . . . . 0.569 ' NZ ' ' HB2' ' A' ' 434' ' ' LYS . 0.1 OUTLIER -118.08 105.69 12.11 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 120.843 0.354 . . . . 0.0 110.909 -179.254 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -73.6 -18.16 61.09 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.146 178.318 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 436' ' ' GLU . . . . . 0.642 ' HA ' HG23 ' A' ' 441' ' ' THR . 49.7 mt-10 -63.43 -51.77 64.31 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.627 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 437' ' ' LYS . . . . . 0.407 ' HD3' ' HG2' ' A' ' 434' ' ' LYS . 5.1 mptp? -86.25 -25.49 25.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.279 -177.548 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -86.49 -75.93 0.37 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.627 0.251 . . . . 0.0 110.889 -179.004 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -67.04 -23.62 65.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.615 -177.686 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.517 ' HA ' ' O ' ' A' ' 436' ' ' GLU . 17.9 m 76.24 103.91 0.07 Allowed 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.127 176.731 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 441' ' ' THR . . . . . 0.642 HG23 ' HA ' ' A' ' 436' ' ' GLU . 15.6 p -68.64 106.33 2.57 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.054 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . 156.49 -37.79 0.58 Allowed Glycine 0 N--CA 1.446 -0.686 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -178.427 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 28.3 m . . . . . 0 C--O 1.251 1.177 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 175.326 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.656 0 N-CA-C 111.847 -0.501 . . . . 0.0 111.847 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 14.0 m -80.94 -28.84 35.58 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.405 0.145 . . . . 0.0 111.389 -177.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 373' ' ' LYS . . . . . 0.458 ' HA ' ' HD3' ' A' ' 373' ' ' LYS . 11.9 mmtp 61.2 37.16 17.63 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.217 0.532 . . . . 0.0 111.604 -177.191 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 374' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -137.93 120.29 15.89 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.086 177.248 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 375' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -132.72 179.42 6.16 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.606 179.408 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -148.65 152.33 36.51 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.747 0.308 . . . . 0.0 110.881 178.146 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 377' ' ' THR . . . . . . . . . . . . . 8.6 m -97.2 82.48 3.18 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.283 -179.422 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 378' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 65.89 173.77 0.23 Allowed 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.207 173.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 379' ' ' SER . . . . . 0.621 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 4.3 m -45.38 -49.46 13.06 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 123.043 0.537 . . . . 0.0 112.146 177.362 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -49.85 -50.02 47.0 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -176.624 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -74.34 -52.01 13.45 Favored 'General case' 0 CA--C 1.517 -0.324 0 C-N-CA 120.172 -0.611 . . . . 0.0 110.437 -172.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 382' ' ' ASN . . . . . 0.533 ' HA ' ' HB3' ' A' ' 385' ' ' LYS . 0.4 OUTLIER -67.22 -25.28 66.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.827 -175.13 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 383' ' ' LYS . . . . . 0.731 ' HB3' HD22 ' A' ' 416' ' ' LEU . 3.2 tptm -67.26 -50.76 59.28 Favored 'General case' 0 CA--C 1.509 -0.633 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 179.092 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -64.59 -36.24 83.58 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.934 176.362 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 385' ' ' LYS . . . . . 0.533 ' HB3' ' HA ' ' A' ' 382' ' ' ASN . 56.8 tptt -61.8 -37.88 86.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.907 177.456 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 386' ' ' ILE . . . . . 0.408 HG13 ' O ' ' A' ' 382' ' ' ASN . 39.1 mt -66.64 -42.39 89.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.22 0.533 . . . . 0.0 109.94 179.109 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 27.8 m -64.44 -40.18 95.24 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.845 174.385 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -71.99 -15.26 62.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.357 179.442 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -72.82 -20.15 61.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.965 0.412 . . . . 0.0 110.412 174.61 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 390' ' ' ALA . . . . . 0.7 ' HB2' HD21 ' A' ' 400' ' ' LEU . . . -86.38 -16.29 37.76 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 175.45 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 94.9 mttt 58.31 -128.51 1.45 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 114.603 -1.18 . . . . 0.0 111.416 174.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -98.74 15.79 24.22 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.822 0.344 . . . . 0.0 111.163 -175.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -90.43 109.63 20.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.272 0.558 . . . . 0.0 110.342 176.2 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 394' ' ' GLN . . . . . 0.567 ' HA ' ' CD1' ' A' ' 407' ' ' PHE . 23.6 tt0 -63.77 -45.04 91.55 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.414 -176.656 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 395' ' ' LYS . . . . . 0.405 ' HD3' ' HA ' ' A' ' 395' ' ' LYS . 13.3 tppt? -69.82 -36.74 75.87 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.293 -175.556 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 396' ' ' ALA . . . . . 0.432 ' HA ' ' ND2' ' A' ' 399' ' ' ASN . . . -64.76 -35.02 79.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.243 0.544 . . . . 0.0 110.236 176.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 37.7 t -61.73 -45.92 91.86 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.141 177.359 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -62.53 -27.63 69.29 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.204 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 399' ' ' ASN . . . . . 0.432 ' ND2' ' HA ' ' A' ' 396' ' ' ALA . 82.5 m-20 -66.57 -45.4 79.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.988 0.423 . . . . 0.0 110.511 177.36 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.7 HD21 ' HB2' ' A' ' 390' ' ' ALA . 1.9 pp -102.09 16.38 26.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.726 -177.395 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 401' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' A' ' 405' ' ' CYS . 82.1 tttt -57.59 -17.74 15.92 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.712 177.558 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -55.89 -22.9 28.18 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.843 178.507 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 403' ' ' LYS . . . . . 0.461 ' HD2' ' N ' ' A' ' 403' ' ' LYS . 0.5 OUTLIER -90.93 2.53 56.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.759 0.314 . . . . 0.0 110.913 -179.704 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 404' ' ' GLY . . . . . 0.409 ' O ' HD12 ' A' ' 416' ' ' LEU . . . 99.7 24.93 9.54 Favored Glycine 0 C--O 1.236 0.243 0 N-CA-C 111.565 -0.614 . . . . 0.0 111.565 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 405' ' ' CYS . . . . . 0.552 ' HB3' ' SG ' ' A' ' 414' ' ' CYS . 80.0 m -98.72 118.87 36.44 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.028 0.442 . . . . 0.0 111.021 -170.778 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 406' ' ' VAL . . . . . 0.634 ' HB ' ' HB2' ' A' ' 418' ' ' LYS . 10.0 p -126.34 143.11 40.94 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 177.308 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 407' ' ' PHE . . . . . 0.567 ' CD1' ' HA ' ' A' ' 394' ' ' GLN . 22.7 t80 -68.09 123.79 21.65 Favored 'General case' 0 N--CA 1.439 -1.018 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.405 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -98.94 97.43 8.6 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.608 -0.723 . . . . 0.0 109.234 -177.106 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 1.2 p -61.45 -23.5 65.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.761 -176.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -55.06 -44.41 74.73 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.971 177.11 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 22.6 t -112.8 -6.9 13.81 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.826 -177.022 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 7.1 t30 61.01 58.24 2.33 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.66 -177.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 25.7 pttm -163.16 159.59 23.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.873 174.386 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 414' ' ' CYS . . . . . 0.552 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 51.9 t -79.54 127.05 31.66 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.519 0.2 . . . . 0.0 110.472 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -138.96 159.23 42.64 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 121.173 0.511 . . . . 0.0 111.32 -177.577 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.731 HD22 ' HB3' ' A' ' 383' ' ' LYS . 35.8 tp -73.87 82.63 1.67 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 174.337 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 417' ' ' LYS . . . . . 0.548 ' HB2' HG12 ' A' ' 406' ' ' VAL . 49.1 mmtt -127.75 -25.42 3.1 Favored 'General case' 0 CA--C 1.502 -0.873 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 -170.357 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 418' ' ' LYS . . . . . 0.634 ' HB2' ' HB ' ' A' ' 406' ' ' VAL . 12.2 tmtt? -56.51 -30.02 62.53 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.453 0.644 . . . . 0.0 109.295 -177.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -91.85 -48.53 6.73 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.664 -170.025 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 31.6 t -67.1 -37.71 79.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.311 179.141 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -67.59 -47.96 68.23 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.968 -178.002 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -62.66 -34.92 78.09 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.912 -177.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -62.66 -43.74 98.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.196 0.522 . . . . 0.0 110.417 179.347 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 54.4 tp -79.34 -26.72 42.09 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.421 179.601 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -75.0 -7.55 53.97 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.666 176.244 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 16.6 mtpt 74.68 46.0 0.16 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 114.576 -1.193 . . . . 0.0 111.567 173.628 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -86.69 57.99 4.81 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 106.665 -1.606 . . . . 0.0 106.665 166.494 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 17.3 m -49.14 102.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 113.283 -1.78 . . . . 0.0 111.539 -178.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 429' ' ' LYS . . . . . 0.482 ' HG3' ' HG3' ' A' ' 430' ' ' GLU . 7.3 ptpp? -106.78 -14.35 15.02 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.373 177.228 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 430' ' ' GLU . . . . . 0.482 ' HG3' ' HG3' ' A' ' 429' ' ' LYS . 31.6 mt-10 -119.19 105.75 11.68 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.449 177.49 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 431' ' ' THR . . . . . . . . . . . . . 22.9 m -63.0 -38.42 91.11 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.677 -179.084 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 57.27 77.33 0.28 Allowed 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.753 0.787 . . . . 0.0 110.589 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 173.89 -123.34 0.96 Allowed Glycine 0 N--CA 1.446 -0.694 0 CA-C-N 114.901 -1.045 . . . . 0.0 111.179 -178.566 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 90.8 mttt 60.84 21.87 11.98 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 121.206 0.527 . . . . 0.0 110.865 177.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 435' ' ' ASP . . . . . 0.49 ' HB2' HD22 ' A' ' 439' ' ' ASN . 9.5 p-10 -90.49 98.92 12.06 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.711 0.767 . . . . 0.0 112.318 -172.204 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -156.06 -46.81 0.08 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.507 172.282 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 54.5 tttm -44.33 -52.83 7.31 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.541 176.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -140.38 77.5 1.61 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.039 0.447 . . . . 0.0 110.755 176.52 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 439' ' ' ASN . . . . . 0.49 HD22 ' HB2' ' A' ' 435' ' ' ASP . 64.9 t30 -160.32 -57.93 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.623 176.186 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 5.2 p -72.44 -57.19 4.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.426 0.632 . . . . 0.0 109.647 174.493 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 27.8 m -108.1 142.47 38.24 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 172.264 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . -95.62 -26.09 12.47 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.569 -176.462 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 25.0 m . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.334 -0.841 . . . . 0.0 110.463 -179.323 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.739 0 N-CA-C 111.93 -0.468 . . . . 0.0 111.93 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 3.1 p -133.94 125.12 27.58 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.191 0.52 . . . . 0.0 111.385 -177.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 59.6 pttt -110.01 -17.9 13.49 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.851 174.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 374' ' ' LYS . . . . . . . . . . . . . 34.3 mmtm -73.14 101.72 3.39 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.347 172.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 375' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 -66.9 -24.26 66.08 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.045 -176.595 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 61.06 25.64 15.65 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 122.14 0.972 . . . . 0.0 109.641 -176.682 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 377' ' ' THR . . . . . . . . . . . . . 30.8 m -98.27 120.88 39.46 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 114.219 -1.355 . . . . 0.0 109.755 -179.177 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 378' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -56.89 -47.59 80.14 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 123.433 0.458 . . . . 0.0 111.347 -175.202 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 15.1 t -60.44 -44.22 96.03 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.099 -177.207 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -69.08 -44.18 73.05 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.013 0.435 . . . . 0.0 111.335 -177.213 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -80.81 -31.67 35.53 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.183 -0.462 . . . . 0.0 112.219 -173.434 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 382' ' ' ASN . . . . . 0.405 ' O ' HG13 ' A' ' 386' ' ' ILE . 0.2 OUTLIER -75.29 -24.83 57.58 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.377 -0.529 . . . . 0.0 109.603 177.391 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 383' ' ' LYS . . . . . 0.494 ' HB3' HD22 ' A' ' 416' ' ' LEU . 0.1 OUTLIER -64.63 -48.41 74.96 Favored 'General case' 0 CA--C 1.514 -0.416 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 175.6 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -52.56 -49.96 63.9 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.292 174.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -56.64 -43.81 80.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.157 -179.588 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 386' ' ' ILE . . . . . 0.449 HG22 HD13 ' A' ' 400' ' ' LEU . 68.3 mt -67.49 -45.79 84.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.117 0.484 . . . . 0.0 110.122 -179.664 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 72.9 m -62.64 -37.49 86.57 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.134 179.167 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -80.08 -24.4 40.64 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.634 -178.504 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -73.39 -8.82 57.48 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.996 0.427 . . . . 0.0 110.856 175.076 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 390' ' ' ALA . . . . . 0.493 ' HB2' HD12 ' A' ' 400' ' ' LEU . . . -86.25 -20.98 27.67 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 177.123 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp 61.57 -151.94 0.38 Allowed 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.565 173.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -88.86 10.32 21.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.425 0.631 . . . . 0.0 109.89 176.598 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -84.22 97.65 9.51 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 177.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 394' ' ' GLN . . . . . 0.462 ' O ' ' HG2' ' A' ' 398' ' ' GLU . 50.0 tt0 -57.39 -40.38 78.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.629 -174.537 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -49.96 -49.78 49.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.829 0.347 . . . . 0.0 111.074 178.119 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -64.02 -39.78 94.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.966 0.412 . . . . 0.0 110.589 179.513 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 18.7 t -63.82 -43.08 97.3 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.397 179.266 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 398' ' ' GLU . . . . . 0.462 ' HG2' ' O ' ' A' ' 394' ' ' GLN . 17.0 mm-40 -58.28 -34.14 70.2 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.028 178.092 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 18.8 m-80 -71.0 -34.05 71.0 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.172 178.327 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.493 HD12 ' HB2' ' A' ' 390' ' ' ALA . 30.2 mt -103.65 10.73 36.71 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.627 -177.03 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 401' ' ' LYS . . . . . 0.544 ' HA ' ' O ' ' A' ' 405' ' ' CYS . 16.7 tptm -50.12 -53.96 23.87 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.952 -1.022 . . . . 0.0 112.35 -175.304 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -80.72 10.47 4.86 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.953 0.406 . . . . 0.0 112.03 -173.659 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 61.2 mttm -92.32 -5.88 51.36 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.224 0.535 . . . . 0.0 109.592 171.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 404' ' ' GLY . . . . . 0.549 ' HA2' ' HB3' ' A' ' 418' ' ' LYS . . . 115.24 -5.93 21.51 Favored Glycine 0 N--CA 1.445 -0.754 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 -178.388 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 405' ' ' CYS . . . . . 0.567 ' HB3' ' SG ' ' A' ' 414' ' ' CYS . 56.8 m -82.8 111.71 18.96 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.122 -0.539 . . . . 0.0 110.316 -178.178 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 406' ' ' VAL . . . . . 0.631 ' CG1' ' HB3' ' A' ' 417' ' ' LYS . 7.2 p -122.2 134.15 66.32 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.696 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 407' ' ' PHE . . . . . 0.402 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 11.9 t80 -72.74 123.36 23.15 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.114 -179.641 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 408' ' ' ASN . . . . . 0.411 ' OD1' ' HG2' ' A' ' 410' ' ' GLU . 46.6 t30 -104.39 112.59 25.69 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.653 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 11.4 p -70.26 -22.4 62.88 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.526 -176.524 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 410' ' ' GLU . . . . . 0.411 ' HG2' ' OD1' ' A' ' 408' ' ' ASN . 5.1 mm-40 -69.26 -36.94 77.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.949 -175.584 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 23.2 m -110.72 1.56 17.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.846 179.45 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 10.6 t30 50.04 73.7 0.25 Allowed 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.231 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -173.86 165.39 4.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.695 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 414' ' ' CYS . . . . . 0.567 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 37.9 t -90.92 131.14 36.72 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 170.315 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -138.44 150.81 46.86 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.714 0.292 . . . . 0.0 110.495 -175.301 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.494 HD22 ' HB3' ' A' ' 383' ' ' LYS . 50.4 tp -74.19 87.37 1.93 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 173.326 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 417' ' ' LYS . . . . . 0.631 ' HB3' ' CG1' ' A' ' 406' ' ' VAL . 2.0 tmtp? -130.89 -8.29 3.95 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.265 -173.383 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 418' ' ' LYS . . . . . 0.55 ' HE2' ' O ' ' A' ' 418' ' ' LYS . 0.1 OUTLIER -60.51 -34.74 74.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.657 0.741 . . . . 0.0 109.94 177.734 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -81.08 -40.62 23.84 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 115.241 -0.891 . . . . 0.0 109.99 -177.52 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 54.7 t -61.33 -47.44 93.44 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.115 177.316 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 421' ' ' LYS . . . . . 0.618 ' O ' ' HG2' ' A' ' 425' ' ' GLU . 60.0 tttm -60.64 -42.62 97.3 Favored 'General case' 0 C--O 1.208 -1.102 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.672 177.216 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -54.29 -43.07 70.75 Favored 'General case' 0 C--O 1.244 0.79 0 O-C-N 123.642 0.589 . . . . 0.0 110.921 -179.54 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 50.4 mmtm -56.69 -42.84 79.8 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.429 177.578 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 48.3 tp -81.29 -30.57 33.93 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.402 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 425' ' ' GLU . . . . . 0.618 ' HG2' ' O ' ' A' ' 421' ' ' LYS . 13.9 mm-40 -48.8 -69.69 0.11 Allowed 'General case' 0 C--O 1.234 0.28 0 C-N-CA 123.182 0.593 . . . . 0.0 110.94 -179.099 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 426' ' ' LYS . . . . . 0.859 ' HE3' ' HA ' ' A' ' 426' ' ' LYS . 0.0 OUTLIER 55.85 27.94 11.71 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.525 179.277 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -91.3 -18.08 24.91 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.006 0.431 . . . . 0.0 110.144 -175.062 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 7.4 t -57.17 -39.92 76.29 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.409 -174.46 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -94.34 -15.52 24.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.842 0.353 . . . . 0.0 110.892 177.426 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -70.02 -57.42 5.01 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.021 178.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 431' ' ' THR . . . . . . . . . . . . . 8.3 m 59.38 76.36 0.36 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.953 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -118.3 130.63 56.14 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.916 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -83.6 116.14 4.18 Favored Glycine 0 N--CA 1.443 -0.856 0 CA-C-N 115.944 -0.571 . . . . 0.0 113.211 -172.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -110.01 -73.35 0.69 Allowed 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.116 -0.542 . . . . 0.0 109.964 175.202 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -137.1 67.52 1.44 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.439 -178.236 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 16.6 mp0 -86.14 116.29 24.24 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 178.519 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp 72.25 -55.97 0.66 Allowed 'General case' 0 N--CA 1.467 0.408 0 O-C-N 123.881 0.738 . . . . 0.0 110.884 179.295 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -151.59 -74.02 0.15 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.62 -0.263 . . . . 0.0 111.163 177.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 7.9 m120 60.62 -177.93 0.1 Allowed 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.278 0.631 . . . . 0.0 111.858 -174.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 27.8 m 53.27 55.19 9.1 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 121.821 0.82 . . . . 0.0 109.545 -171.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 33.5 m -66.0 -37.28 85.53 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.756 -178.573 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . -110.62 118.93 5.12 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.851 -0.69 . . . . 0.0 111.777 177.554 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 9.0 t . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.232 -0.89 . . . . 0.0 109.415 179.101 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.738 0 N-CA-C 112.061 -0.416 . . . . 0.0 112.061 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 50.7 m 68.32 -178.49 0.22 Allowed 'General case' 0 C--O 1.234 0.267 0 C-N-CA 122.663 0.385 . . . . 0.0 110.966 -179.395 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -127.86 100.98 6.14 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.95 0.405 . . . . 0.0 111.128 -179.286 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 374' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -96.59 -17.86 20.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.274 0.559 . . . . 0.0 109.859 175.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 375' ' ' GLN . . . . . . . . . . . . . 1.1 pm0 -115.11 133.96 55.58 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.884 -176.08 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -120.61 86.08 2.51 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 172.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 377' ' ' THR . . . . . . . . . . . . . 18.0 p -97.91 -2.18 41.25 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.232 -177.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 378' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -44.21 -56.77 3.86 Favored 'General case' 0 N--CA 1.465 0.305 0 O-C-N 123.857 0.723 . . . . 0.0 111.775 -178.341 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 379' ' ' SER . . . . . 0.672 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 24.6 m -66.11 -39.39 89.91 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.526 -175.733 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -73.41 -41.37 63.38 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.958 0.408 . . . . 0.0 111.572 -176.556 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -73.11 -46.77 49.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.058 -175.261 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 382' ' ' ASN . . . . . 0.549 ' O ' HG13 ' A' ' 386' ' ' ILE . 0.3 OUTLIER -68.95 -27.12 65.44 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.284 179.871 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 383' ' ' LYS . . . . . 0.672 ' HB2' ' O ' ' A' ' 379' ' ' SER . 2.2 tptm -66.63 -47.92 71.06 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 179.763 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -56.89 -37.34 71.26 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.215 175.372 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 23.9 tptp -70.99 -32.73 69.65 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.841 -179.165 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 386' ' ' ILE . . . . . 0.549 HG13 ' O ' ' A' ' 382' ' ' ASN . 79.0 mt -62.08 -42.29 94.45 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.285 0 CA-C-O 121.504 0.668 . . . . 0.0 109.252 176.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 14.6 m -69.46 -43.41 73.32 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 114.833 -1.076 . . . . 0.0 110.189 178.23 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -70.79 -14.52 62.45 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.489 -178.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -69.34 -22.97 63.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.911 0.386 . . . . 0.0 110.513 173.19 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 390' ' ' ALA . . . . . 0.694 ' HB2' HD21 ' A' ' 400' ' ' LEU . . . -87.76 -13.63 41.83 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 175.639 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? 63.68 -97.01 0.06 Allowed 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 114.397 -1.274 . . . . 0.0 111.983 173.557 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -137.12 21.86 3.01 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.205 0.526 . . . . 0.0 110.102 -177.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -88.43 104.45 16.8 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.996 174.517 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 394' ' ' GLN . . . . . 0.516 ' O ' ' HG2' ' A' ' 398' ' ' GLU . 35.0 tt0 -57.88 -46.46 84.85 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.265 -179.389 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -61.45 -44.76 96.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.794 -176.513 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 396' ' ' ALA . . . . . 0.577 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -65.99 -36.83 84.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.52 178.626 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 26.5 t -65.43 -44.83 86.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.607 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 398' ' ' GLU . . . . . 0.516 ' HG2' ' O ' ' A' ' 394' ' ' GLN . 30.4 mm-40 -53.94 -39.23 65.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.643 176.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -64.49 -52.6 57.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.464 179.504 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.694 HD21 ' HB2' ' A' ' 390' ' ' ALA . 2.1 pp -90.85 14.54 13.37 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.804 0.335 . . . . 0.0 111.842 -175.574 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 401' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' A' ' 405' ' ' CYS . 38.9 ttmt -62.47 -19.68 63.78 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.273 0.559 . . . . 0.0 110.486 176.083 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -56.07 -26.24 48.51 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.86 176.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 403' ' ' LYS . . . . . 0.49 ' HD2' ' N ' ' A' ' 403' ' ' LYS . 0.1 OUTLIER -90.5 8.86 31.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.533 -178.462 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 404' ' ' GLY . . . . . 0.448 ' O ' HD12 ' A' ' 416' ' ' LEU . . . 89.79 36.34 7.35 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 121.133 -0.556 . . . . 0.0 112.143 178.484 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 405' ' ' CYS . . . . . 0.422 ' O ' ' HG3' ' A' ' 401' ' ' LYS . 91.7 m -115.76 111.1 20.04 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.052 0.453 . . . . 0.0 110.765 -174.312 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 406' ' ' VAL . . . . . 0.496 ' HB ' ' HD3' ' A' ' 417' ' ' LYS . 14.6 p -110.35 142.36 23.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 -179.104 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 407' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -71.79 117.4 13.33 Favored 'General case' 0 N--CA 1.436 -1.144 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 174.455 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -99.69 91.62 4.95 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 114.939 -1.028 . . . . 0.0 109.255 -170.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 12.0 p -67.76 -9.61 45.46 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -172.22 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -59.01 -38.26 78.83 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.189 0.519 . . . . 0.0 109.955 174.32 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 5.8 p -123.65 -0.82 8.56 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.896 179.424 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 4.8 t30 60.45 57.81 2.71 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.139 178.348 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -141.55 168.78 18.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.423 176.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 414' ' ' CYS . . . . . . . . . . . . . 42.0 t -92.38 119.39 31.88 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 167.111 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -143.96 174.82 10.51 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.226 -174.831 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.448 HD12 ' O ' ' A' ' 404' ' ' GLY . 37.6 tp -66.78 144.26 56.43 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.929 0.395 . . . . 0.0 110.798 -174.38 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 417' ' ' LYS . . . . . 0.496 ' HD3' ' HB ' ' A' ' 406' ' ' VAL . 20.9 tptp -67.83 79.61 0.2 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.048 175.072 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 23.6 mtmm -64.49 -22.24 66.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.574 -178.067 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 419' ' ' ASP . . . . . 0.637 ' O ' ' HG2' ' A' ' 423' ' ' LYS . 1.2 t70 -56.31 -54.89 40.11 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.998 173.576 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 420' ' ' VAL . . . . . 0.453 HG23 ' HG2' ' A' ' 417' ' ' LYS . 86.2 t -61.86 -38.9 81.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.762 0.315 . . . . 0.0 110.535 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 421' ' ' LYS . . . . . 0.412 ' C ' ' HD3' ' A' ' 421' ' ' LYS . 0.8 OUTLIER -55.78 -43.83 77.16 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 174.922 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 422' ' ' GLU . . . . . 0.437 ' O ' ' HA ' ' A' ' 426' ' ' LYS . 13.4 tp10 -76.59 -18.03 58.87 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.243 -0.889 . . . . 0.0 111.068 -176.761 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 423' ' ' LYS . . . . . 0.637 ' HG2' ' O ' ' A' ' 419' ' ' ASP . 11.5 mmpt? -81.49 -40.91 22.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.409 0.623 . . . . 0.0 109.717 175.742 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 8.6 tt -66.51 -51.42 56.81 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.948 -1.024 . . . . 0.0 110.316 -178.1 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -79.76 -48.5 13.5 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.046 0.451 . . . . 0.0 109.878 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 426' ' ' LYS . . . . . 0.582 ' HD2' ' HD3' ' A' ' 429' ' ' LYS . 34.7 ttpt 57.86 74.02 0.44 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.933 -176.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -107.14 -39.77 5.62 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.718 -1.128 . . . . 0.0 109.986 -178.382 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 25.2 m -144.75 96.06 2.8 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.506 179.187 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 429' ' ' LYS . . . . . 0.582 ' HD3' ' HD2' ' A' ' 426' ' ' LYS . 36.0 mtmm -79.67 -51.81 8.77 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.704 -179.713 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -179.12 -82.35 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.154 -173.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 431' ' ' THR . . . . . . . . . . . . . 94.7 m -169.55 103.04 0.34 Allowed 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 106.584 -1.635 . . . . 0.0 106.584 -177.245 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -39.29 121.28 1.13 Allowed 'General case' 0 N--CA 1.468 0.433 0 O-C-N 124.151 0.907 . . . . 0.0 111.402 -175.64 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -96.46 112.43 4.44 Favored Glycine 0 N--CA 1.439 -1.129 0 CA-C-N 115.669 -0.696 . . . . 0.0 112.795 -169.334 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 434' ' ' LYS . . . . . 0.486 ' NZ ' ' HB2' ' A' ' 434' ' ' LYS . 5.1 ttmp? -80.85 81.55 7.07 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 174.673 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 435' ' ' ASP . . . . . 0.701 ' HB2' ' HB3' ' A' ' 439' ' ' ASN . 9.6 m-20 -76.46 -4.82 44.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.318 -175.825 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 436' ' ' GLU . . . . . 0.421 ' HB3' ' O ' ' A' ' 435' ' ' ASP . 9.2 tp10 69.85 -74.84 0.08 Allowed 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.614 0.571 . . . . 0.0 111.144 177.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -94.84 111.9 23.66 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.32 -176.158 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . 64.84 44.5 3.61 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.918 177.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 439' ' ' ASN . . . . . 0.701 ' HB3' ' HB2' ' A' ' 435' ' ' ASP . 20.2 p-10 -83.87 -61.76 1.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.129 175.803 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 17.4 m 49.27 76.24 0.13 Allowed 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 121.512 0.672 . . . . 0.0 111.327 -179.208 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 441' ' ' THR . . . . . 0.557 HG22 ' H ' ' A' ' 443' ' ' SER . 29.7 m -80.46 120.51 24.56 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.908 -177.381 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . -106.17 33.81 6.2 Favored Glycine 0 N--CA 1.449 -0.498 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 177.405 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 443' ' ' SER . . . . . 0.557 ' H ' HG22 ' A' ' 441' ' ' THR . 67.6 m . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.617 -0.706 . . . . 0.0 111.031 -178.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.751 0 N-CA-C 112.081 -0.407 . . . . 0.0 112.081 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 19.2 m 66.74 177.94 0.23 Allowed 'General case' 0 C--O 1.234 0.239 0 C-N-CA 122.829 0.452 . . . . 0.0 110.752 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -101.2 -4.68 26.75 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.348 0.594 . . . . 0.0 110.12 176.688 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 374' ' ' LYS . . . . . 0.708 ' HB3' ' HB ' ' A' ' 377' ' ' THR . 12.0 mptt -97.48 88.83 4.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.086 174.436 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 375' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -97.73 -62.45 1.25 Allowed 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 179.145 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -63.48 -26.34 68.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.975 178.301 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 377' ' ' THR . . . . . 0.708 ' HB ' ' HB3' ' A' ' 374' ' ' LYS . 18.3 m -65.17 -42.69 93.42 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.783 178.466 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 378' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -63.2 -49.54 73.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.027 0.441 . . . . 0.0 110.109 178.25 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 379' ' ' SER . . . . . 0.638 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 40.8 m -60.76 -41.99 96.53 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.005 -179.476 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -68.95 -43.38 75.14 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.448 179.117 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -68.02 -51.33 48.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.683 -0.235 . . . . 0.0 111.305 -175.475 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 382' ' ' ASN . . . . . 0.613 ' O ' HG13 ' A' ' 386' ' ' ILE . 1.5 p30 -66.29 -33.52 75.92 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.313 -176.467 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 383' ' ' LYS . . . . . 0.794 ' HE3' ' HB3' ' A' ' 403' ' ' LYS . 12.9 mptt -66.85 -46.72 74.18 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 179.357 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -57.17 -47.11 82.04 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.003 -0.998 . . . . 0.0 109.817 174.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 385' ' ' LYS . . . . . 0.435 ' HD2' ' HA ' ' A' ' 385' ' ' LYS . 37.7 tptt -63.17 -30.54 71.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.486 -177.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 386' ' ' ILE . . . . . 0.613 HG13 ' O ' ' A' ' 382' ' ' ASN . 88.2 mt -67.18 -39.37 82.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.263 0.554 . . . . 0.0 109.8 178.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 61.8 m -69.91 -38.44 76.29 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.346 176.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -67.95 -25.4 65.44 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.628 178.637 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -72.19 -30.02 64.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.048 176.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -82.23 -38.17 24.91 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.362 -179.489 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 59.3 mttm 70.36 -93.87 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.782 -1.099 . . . . 0.0 112.248 173.409 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -112.77 10.31 19.2 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -173.125 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -88.66 85.17 6.75 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.023 179.51 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -55.4 -43.12 74.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.503 -0.772 . . . . 0.0 111.389 -177.682 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -53.89 -52.82 59.28 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.169 -178.151 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 396' ' ' ALA . . . . . 0.669 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -70.87 -29.65 65.81 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.707 0.289 . . . . 0.0 111.043 -174.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 397' ' ' CYS . . . . . 0.6 ' HA ' HD11 ' A' ' 400' ' ' LEU . 77.8 m -72.84 -39.87 66.2 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.097 0.475 . . . . 0.0 111.031 -179.663 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 398' ' ' GLU . . . . . 0.429 ' HA ' ' HB2' ' A' ' 401' ' ' LYS . 37.5 mm-40 -73.44 -11.56 60.51 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.949 0.404 . . . . 0.0 110.121 174.698 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 399' ' ' ASN . . . . . 0.465 ' HB2' ' O ' ' A' ' 396' ' ' ALA . 2.8 m120 -77.47 -55.13 5.64 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.946 0.403 . . . . 0.0 110.293 170.293 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.669 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 1.4 pp -81.26 11.55 4.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.149 0.5 . . . . 0.0 110.857 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 401' ' ' LYS . . . . . 0.629 ' HG3' ' O ' ' A' ' 405' ' ' CYS . 29.4 tttp -56.28 -23.61 37.63 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.458 171.267 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -53.83 -32.67 53.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.394 173.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 403' ' ' LYS . . . . . 0.794 ' HB3' ' HE3' ' A' ' 383' ' ' LYS . 92.7 mttt -87.72 -0.82 57.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.053 -177.662 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 93.38 58.03 1.32 Allowed Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.991 -0.623 . . . . 0.0 112.619 179.151 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 405' ' ' CYS . . . . . 0.629 ' O ' ' HG3' ' A' ' 401' ' ' LYS . 36.8 t -127.27 156.09 42.47 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 -178.656 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 7.6 p -144.93 128.3 11.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 120.96 0.41 . . . . 0.0 111.081 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 407' ' ' PHE . . . . . 0.697 ' HD2' ' SG ' ' A' ' 414' ' ' CYS . 43.0 t80 -83.48 125.39 31.68 Favored 'General case' 0 N--CA 1.438 -1.067 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 171.56 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -102.14 106.31 17.15 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 178.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 2.7 p -66.11 -20.9 66.3 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.919 -175.18 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -65.18 -50.64 65.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.125 0.488 . . . . 0.0 110.007 177.146 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 12.9 m -85.39 -15.26 43.7 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.222 0.534 . . . . 0.0 110.23 178.373 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 3.8 t30 61.67 41.39 12.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.515 -178.665 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -152.3 155.73 38.25 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.366 175.651 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 414' ' ' CYS . . . . . 0.697 ' SG ' ' HD2' ' A' ' 407' ' ' PHE . 8.9 m -82.03 141.99 32.74 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.535 177.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -141.62 168.48 19.67 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 178.652 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.702 HD13 ' HB3' ' A' ' 383' ' ' LYS . 29.5 tp -64.37 138.14 58.27 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.19 0.519 . . . . 0.0 110.415 176.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -75.15 -4.09 36.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.171 -174.41 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 418' ' ' LYS . . . . . 0.606 ' H ' ' HG ' ' A' ' 416' ' ' LEU . 5.6 tppp? -48.66 -46.41 40.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.428 174.691 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -56.37 -46.47 80.03 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 113.846 -1.524 . . . . 0.0 110.897 -174.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 71.1 t -64.18 -45.67 95.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.89 -179.066 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -72.68 -39.95 66.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.671 -174.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -70.48 -24.05 62.79 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.114 -175.519 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 41.1 mtmt -98.72 -6.91 28.6 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.386 174.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -75.68 -51.12 13.47 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 171.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -82.85 -21.47 34.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.851 175.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 54.0 mttp 71.81 80.39 0.15 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.19 -0.914 . . . . 0.0 112.732 171.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 427' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 428' ' ' SER . 3.1 pt-20 -108.27 -36.78 6.18 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.96 171.136 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 428' ' ' SER . . . . . 0.449 ' N ' ' HG3' ' A' ' 427' ' ' GLU . 50.0 m -129.66 44.79 2.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.175 -174.273 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 15.2 ptmm? -76.18 -21.86 56.02 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.189 178.484 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 70.0 139.85 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.132 -0.94 . . . . 0.0 112.452 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 431' ' ' THR . . . . . . . . . . . . . 25.1 m -152.17 -57.13 0.14 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.142 175.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 56.88 92.61 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.715 0.635 . . . . 0.0 111.229 -178.55 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 87.64 66.94 1.32 Allowed Glycine 0 N--CA 1.441 -0.999 0 N-CA-C 110.718 -0.953 . . . . 0.0 110.718 -174.562 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.03 -0.01 33.68 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.662 0.268 . . . . 0.0 110.62 -178.466 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 16.3 t70 67.38 16.55 10.06 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.404 175.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 57.85 -90.17 0.03 OUTLIER 'General case' 0 C--N 1.334 -0.088 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.974 -174.454 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm -152.16 -48.01 0.11 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.851 0.357 . . . . 0.0 110.401 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -117.58 -44.65 2.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.854 -177.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 45.9 t-20 65.79 99.09 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.209 -178.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 6.1 t -159.28 133.84 7.89 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.817 -0.628 . . . . 0.0 109.9 177.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 7.1 m -82.79 119.87 24.9 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 -179.664 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . -131.76 68.9 0.54 Allowed Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.902 -0.666 . . . . 0.0 111.89 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.712 -0.661 . . . . 0.0 109.88 179.072 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.81 0 N-CA-C 111.405 -0.678 . . . . 0.0 111.405 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 372' ' ' SER . . . . . 0.817 ' HB2' ' HB2' ' A' ' 378' ' ' GLU . 15.1 m 50.77 44.69 27.8 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 171.591 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 46.4 mtpt -67.62 -23.25 65.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.58 0.228 . . . . 0.0 111.449 -177.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 374' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -89.83 -1.05 57.9 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.945 0.403 . . . . 0.0 110.767 178.409 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 375' ' ' GLN . . . . . 0.429 ' HB2' ' HB3' ' A' ' 372' ' ' SER . 89.2 mt-30 -109.96 -37.67 5.54 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 175.657 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 64.89 12.49 7.83 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.936 175.399 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 377' ' ' THR . . . . . . . . . . . . . 15.1 t -97.4 -10.59 25.2 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.583 0.706 . . . . 0.0 109.818 177.471 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 378' ' ' GLU . . . . . 0.817 ' HB2' ' HB2' ' A' ' 372' ' ' SER . 9.1 tp10 -54.49 -60.24 3.62 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 114.783 -1.099 . . . . 0.0 111.792 -177.463 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 3.5 p -58.4 -54.52 46.03 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.226 -0.897 . . . . 0.0 112.296 -172.101 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -59.77 -44.48 93.86 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -175.037 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -70.73 -54.0 13.42 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.742 -174.369 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 382' ' ' ASN . . . . . 0.401 ' O ' HG13 ' A' ' 386' ' ' ILE . 1.1 p30 -67.99 -36.11 79.46 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 121.055 -0.258 . . . . 0.0 111.483 -173.167 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 383' ' ' LYS . . . . . 0.474 ' HB3' HD13 ' A' ' 416' ' ' LEU . 2.6 mptm? -65.64 -49.27 69.28 Favored 'General case' 0 CA--C 1.519 -0.232 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.246 179.442 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 384' ' ' GLU . . . . . 0.457 ' CG ' ' HB3' ' A' ' 416' ' ' LEU . 24.7 mt-10 -60.55 -36.21 77.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.279 179.644 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -63.22 -41.02 99.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.77 0.319 . . . . 0.0 110.954 176.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 386' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 382' ' ' ASN . 96.2 mt -68.61 -40.74 82.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.079 0.466 . . . . 0.0 109.867 -179.601 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 60.5 m -67.15 -40.49 86.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.511 176.621 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 388' ' ' ASN . . . . . 0.6 ' O ' ' HG3' ' A' ' 391' ' ' LYS . 1.3 m-80 -79.88 -10.27 59.76 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 122.314 -0.241 . . . . 0.0 111.302 -179.282 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -70.14 -20.2 63.17 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.067 0.461 . . . . 0.0 109.977 172.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -99.0 -43.86 6.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.554 176.38 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 391' ' ' LYS . . . . . 0.6 ' HG3' ' O ' ' A' ' 388' ' ' ASN . 8.6 mtmp? 57.37 -92.67 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.634 -179.755 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -83.0 -21.32 33.93 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 123.47 0.481 . . . . 0.0 111.29 -171.414 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 -79.29 104.71 10.1 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.23 0.538 . . . . 0.0 110.097 -178.641 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 394' ' ' GLN . . . . . 0.458 ' O ' ' HG2' ' A' ' 398' ' ' GLU . 35.7 tt0 -76.52 -50.01 15.05 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.399 -0.818 . . . . 0.0 110.516 -177.774 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -58.2 -47.71 82.6 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.267 -174.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -64.69 -33.2 75.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.932 -178.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 397' ' ' CYS . . . . . 0.572 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 1.8 t -75.59 -36.59 60.29 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.664 -0.415 . . . . 0.0 110.308 -179.057 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 398' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 394' ' ' GLN . 16.7 mm-40 -64.1 -22.51 66.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.756 0.313 . . . . 0.0 110.674 175.615 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -71.18 -49.31 45.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.99 0.424 . . . . 0.0 110.407 174.131 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.403 HD11 ' HA ' ' A' ' 397' ' ' CYS . 2.3 pp -90.45 13.55 15.34 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.374 0.607 . . . . 0.0 110.528 -178.162 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 401' ' ' LYS . . . . . 0.737 ' HG3' ' O ' ' A' ' 405' ' ' CYS . 33.4 tttp -54.08 -21.19 7.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.793 -1.094 . . . . 0.0 112.408 179.639 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -52.56 -35.27 53.43 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 123.632 0.582 . . . . 0.0 111.444 -177.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -78.0 -23.29 48.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.3 -175.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 404' ' ' GLY . . . . . 0.656 ' HA2' ' HD3' ' A' ' 418' ' ' LYS . . . 128.88 48.34 0.15 Allowed Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.338 -0.934 . . . . 0.0 112.951 177.283 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 405' ' ' CYS . . . . . 0.737 ' O ' ' HG3' ' A' ' 401' ' ' LYS . 60.5 m -116.52 112.02 20.78 Favored 'General case' 0 C--N 1.32 -0.68 0 O-C-N 122.52 -0.4 . . . . 0.0 111.421 -175.784 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 406' ' ' VAL . . . . . 0.539 ' HB ' ' HB3' ' A' ' 418' ' ' LYS . 7.5 p -115.74 114.54 46.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 174.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 407' ' ' PHE . . . . . 0.838 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 21.4 t80 -62.89 122.37 15.82 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.054 178.364 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -104.01 117.19 33.7 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.076 -179.535 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 12.0 p -62.11 -27.99 69.31 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.514 -179.142 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -72.87 -48.26 38.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.048 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 26.6 m -75.98 -17.12 59.84 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.717 -0.22 . . . . 0.0 110.629 178.496 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 10.5 t30 70.36 4.24 4.82 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.694 0.759 . . . . 0.0 110.541 -179.497 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -126.94 162.7 25.33 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.109 -179.443 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 414' ' ' CYS . . . . . 0.838 ' HA ' ' HA ' ' A' ' 407' ' ' PHE . 22.6 t -76.92 131.74 38.71 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.367 173.486 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -128.38 140.12 52.02 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.849 0.357 . . . . 0.0 111.547 -169.173 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.474 HD13 ' HB3' ' A' ' 383' ' ' LYS . 15.8 tp -71.2 96.75 1.43 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 170.025 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 417' ' ' LYS . . . . . 0.534 ' HB3' ' CG1' ' A' ' 406' ' ' VAL . 0.0 OUTLIER -152.27 -15.19 0.18 Allowed 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 120.457 -0.497 . . . . 0.0 111.984 -176.28 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 418' ' ' LYS . . . . . 0.656 ' HD3' ' HA2' ' A' ' 404' ' ' GLY . 4.2 ptmm? -63.23 -28.04 69.76 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.306 0.574 . . . . 0.0 110.461 -179.236 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -68.61 -45.88 70.77 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.8 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 44.2 t -67.34 -40.03 83.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.006 177.471 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -59.14 -53.47 58.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.998 178.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -62.78 -43.24 99.31 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.064 0.459 . . . . 0.0 110.302 -179.242 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 50.6 tttp -56.45 -53.54 56.18 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.867 179.083 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 10.4 tt -69.86 -38.8 76.54 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.183 -175.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -67.55 -35.57 79.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.86 0.362 . . . . 0.0 110.815 -178.124 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -88.23 -91.73 0.12 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.339 179.473 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 58.17 15.39 3.28 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 122.818 0.447 . . . . 0.0 110.854 -172.595 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 8.6 p -63.94 -50.1 69.98 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.018 -172.3 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.37 -31.08 32.01 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -173.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -64.14 -24.78 67.81 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-O 120.747 0.308 . . . . 0.0 111.491 -177.388 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 431' ' ' THR . . . . . . . . . . . . . 10.1 t -126.37 -6.94 6.41 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 120.921 0.391 . . . . 0.0 111.261 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -91.44 -9.51 44.33 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.81 0.814 . . . . 0.0 109.904 179.134 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 154.38 -85.42 0.14 Allowed Glycine 0 N--CA 1.444 -0.794 0 CA-C-N 114.65 -1.159 . . . . 0.0 111.826 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 434' ' ' LYS . . . . . 0.614 ' HB3' ' HB2' ' A' ' 436' ' ' GLU . 30.1 mttt -174.73 143.49 0.77 Allowed 'General case' 0 C--O 1.235 0.336 0 C-N-CA 122.669 0.388 . . . . 0.0 110.517 -179.209 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -69.2 -45.69 69.3 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 107.383 -1.34 . . . . 0.0 107.383 163.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 436' ' ' GLU . . . . . 0.614 ' HB2' ' HB3' ' A' ' 434' ' ' LYS . 44.2 tt0 62.74 -80.25 0.03 OUTLIER 'General case' 0 C--O 1.232 0.168 0 CA-C-N 114.079 -1.419 . . . . 0.0 112.763 169.213 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 437' ' ' LYS . . . . . 0.514 ' HA ' ' HB ' ' A' ' 440' ' ' THR . 27.1 ttpp -165.18 -28.16 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.47 -173.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -62.57 -45.61 92.12 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.338 179.51 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -95.58 1.88 53.98 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.656 0.741 . . . . 0.0 109.655 179.459 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.514 ' HB ' ' HA ' ' A' ' 437' ' ' LYS . 22.3 m -102.4 101.49 11.72 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.542 179.606 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 41.1 p -106.77 8.96 31.15 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.412 0.625 . . . . 0.0 110.449 -179.367 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . 98.16 -19.18 55.53 Favored Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 115.564 -0.743 . . . . 0.0 111.558 -178.345 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 47.2 m . . . . . 0 C--O 1.252 1.228 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 176.531 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.747 0 N-CA-C 112.191 -0.364 . . . . 0.0 112.191 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 49.6 m -91.56 148.87 21.97 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 122.287 0.235 . . . . 0.0 110.721 -178.678 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 373' ' ' LYS . . . . . 0.482 ' HE3' ' OE1' ' A' ' 375' ' ' GLN . 53.4 tptt 55.48 79.74 0.15 Allowed 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.736 0.779 . . . . 0.0 110.783 179.408 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 374' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -110.1 2.82 19.72 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.157 -175.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 375' ' ' GLN . . . . . 0.482 ' OE1' ' HE3' ' A' ' 373' ' ' LYS . 2.0 mp0 65.51 92.01 0.08 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.524 -175.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -104.16 -15.79 15.42 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.612 176.684 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 377' ' ' THR . . . . . 0.599 HG22 ' HB3' ' A' ' 380' ' ' ALA . 6.7 m 65.57 33.61 8.43 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 121.888 0.852 . . . . 0.0 108.87 -174.661 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 378' ' ' GLU . . . . . 0.426 ' OE1' ' HB3' ' A' ' 382' ' ' ASN . 8.5 tp10 -44.12 -50.3 8.63 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 114.35 -1.296 . . . . 0.0 112.127 -177.097 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 379' ' ' SER . . . . . 0.465 ' O ' ' HD3' ' A' ' 383' ' ' LYS . 11.5 m -53.08 -51.19 62.63 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.594 -176.368 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 380' ' ' ALA . . . . . 0.599 ' HB3' HG22 ' A' ' 377' ' ' THR . . . -70.71 -38.31 73.62 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.643 0.259 . . . . 0.0 111.118 -177.602 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -67.32 -58.0 5.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.408 -176.025 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 382' ' ' ASN . . . . . 0.426 ' HB3' ' OE1' ' A' ' 378' ' ' GLU . 1.6 p30 -64.97 -37.28 87.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.087 -173.671 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 383' ' ' LYS . . . . . 0.609 ' HB3' ' HG ' ' A' ' 416' ' ' LEU . 6.3 mptp? -59.22 -57.67 12.01 Favored 'General case' 0 CA--C 1.518 -0.262 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.097 176.683 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 384' ' ' GLU . . . . . 0.515 ' HG3' ' HB2' ' A' ' 416' ' ' LEU . 20.6 mt-10 -61.55 -35.69 78.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.721 -177.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? -62.01 -44.15 97.33 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.908 0.385 . . . . 0.0 110.095 176.614 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 386' ' ' ILE . . . . . 0.419 HD13 ' HD3' ' A' ' 403' ' ' LYS . 84.8 mt -66.1 -40.48 87.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.655 177.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 387' ' ' CYS . . . . . 0.645 ' O ' ' HB2' ' A' ' 414' ' ' CYS . 67.2 m -59.12 -44.76 92.02 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.317 175.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -75.74 -19.11 59.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.84 -177.42 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -72.46 -14.24 61.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.315 177.4 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 390' ' ' ALA . . . . . 0.766 ' HB2' HD21 ' A' ' 400' ' ' LEU . . . -92.78 -20.46 20.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.972 0.415 . . . . 0.0 110.396 179.024 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? 58.25 -139.15 0.81 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.459 177.273 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -87.82 12.6 12.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.038 -179.3 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -83.13 90.2 7.04 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 178.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -64.19 -31.85 73.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.813 -176.576 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -63.86 -52.58 59.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.957 0.408 . . . . 0.0 110.094 175.59 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 396' ' ' ALA . . . . . 0.413 ' O ' ' HB2' ' A' ' 399' ' ' ASN . . . -60.76 -38.89 86.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.08 178.835 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -53.41 -52.76 58.35 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.186 -0.916 . . . . 0.0 111.243 174.689 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -60.32 -22.94 63.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.845 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 399' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' A' ' 396' ' ' ALA . 14.7 m120 -70.75 -61.14 1.88 Allowed 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.936 0.398 . . . . 0.0 110.596 174.604 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.766 HD21 ' HB2' ' A' ' 390' ' ' ALA . 2.8 pp -83.03 12.08 5.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.124 0.488 . . . . 0.0 111.23 -177.02 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 5.7 tmtp? -50.48 -39.99 49.83 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.202 -0.908 . . . . 0.0 112.189 -179.358 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -72.98 -3.1 23.88 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -174.338 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 403' ' ' LYS . . . . . 0.419 ' HD3' HD13 ' A' ' 386' ' ' ILE . 98.1 mttt -86.29 2.33 47.67 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.38 175.024 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 100.23 18.7 21.02 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.266 178.012 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 91.3 m -106.7 119.76 40.18 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.074 0.464 . . . . 0.0 111.132 -177.354 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 7.4 p -114.37 132.95 61.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.869 177.527 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 407' ' ' PHE . . . . . 0.553 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 29.0 t80 -72.91 130.27 40.02 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.271 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -110.96 116.89 31.97 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.376 178.159 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 8.5 p -71.45 -17.71 62.36 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.759 -175.417 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -78.67 -49.34 13.34 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.826 0.346 . . . . 0.0 110.554 -176.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 28.2 p -80.43 -18.42 48.84 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.173 176.457 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 65.84 39.96 4.44 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.841 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 53.6 pttt -154.67 152.39 29.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.655 176.632 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 414' ' ' CYS . . . . . 0.645 ' HB2' ' O ' ' A' ' 387' ' ' CYS . 32.5 m -65.88 126.41 28.45 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.785 0.326 . . . . 0.0 110.694 170.676 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -123.16 165.23 17.22 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 176.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.609 ' HG ' ' HB3' ' A' ' 383' ' ' LYS . 0.5 OUTLIER -62.98 140.41 58.86 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 178.129 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 58.0 tptt -44.15 122.79 3.08 Favored 'General case' 0 CA--C 1.532 0.275 0 O-C-N 123.691 0.619 . . . . 0.0 110.603 175.687 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -55.63 -45.1 77.63 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.844 -173.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -61.4 -38.76 88.23 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.855 -178.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 98.2 t -71.25 -45.07 72.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.284 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -59.01 -42.49 90.27 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.312 177.507 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -58.03 -47.96 81.51 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.062 178.306 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.3 -20.57 51.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.008 -174.156 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 76.2 mt -79.16 -47.45 16.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.13 174.705 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -68.44 -56.01 9.91 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.346 -178.253 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 27.4 tptp 59.15 92.5 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 O-C-N 123.772 0.67 . . . . 0.0 111.354 178.489 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -111.6 -73.41 0.68 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.687 179.273 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 32.7 t -146.29 113.64 6.28 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.191 0.519 . . . . 0.0 112.272 -174.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 429' ' ' LYS . . . . . 0.427 ' HD3' ' HA ' ' A' ' 429' ' ' LYS . 29.8 mmtp -130.9 -53.35 1.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.121 167.041 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -131.07 28.02 4.81 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.448 173.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 431' ' ' THR . . . . . . . . . . . . . 10.5 t -78.14 -0.95 30.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.687 -173.195 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -86.92 96.46 10.25 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 178.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -159.45 -152.86 6.63 Favored Glycine 0 N--CA 1.444 -0.782 0 N-CA-C 111.316 -0.714 . . . . 0.0 111.316 178.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -105.22 130.6 53.34 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.86 0.362 . . . . 0.0 110.317 -178.629 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 435' ' ' ASP . . . . . 0.543 ' HA ' ' HB3' ' A' ' 439' ' ' ASN . 10.1 p-10 -79.55 75.74 6.18 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.873 0.844 . . . . 0.0 110.699 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 436' ' ' GLU . . . . . 0.433 ' HB3' ' H ' ' A' ' 437' ' ' LYS . 1.3 tm-20 -84.51 -88.58 0.11 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 175.505 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 437' ' ' LYS . . . . . 0.433 ' H ' ' HB3' ' A' ' 436' ' ' GLU . 98.2 mttt -138.0 9.61 2.8 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.469 0.652 . . . . 0.0 109.511 170.319 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -106.17 -41.58 5.31 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.499 -175.606 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 439' ' ' ASN . . . . . 0.543 ' HB3' ' HA ' ' A' ' 435' ' ' ASP . 17.8 t-20 -82.56 109.6 16.9 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.002 -175.125 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 21.3 p -97.51 77.55 2.61 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.289 0.566 . . . . 0.0 110.588 176.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 8.8 t -75.15 -14.7 60.58 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.355 -177.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . -175.14 -37.99 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 111.48 -0.648 . . . . 0.0 111.48 -179.336 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 12.6 m . . . . . 0 C--O 1.247 0.922 0 CA-C-O 118.506 -0.759 . . . . 0.0 109.607 176.874 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.618 0 N-CA-C 111.671 -0.571 . . . . 0.0 111.671 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 44.6 t -148.08 135.95 20.99 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -178.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 49.7 pttt -121.41 86.75 2.63 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.622 0.725 . . . . 0.0 111.048 178.644 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 374' ' ' LYS . . . . . 0.417 ' HA ' ' HD3' ' A' ' 374' ' ' LYS . 26.8 mmtm -142.62 35.41 1.44 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.795 178.354 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 375' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -75.42 114.74 14.31 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.447 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -118.39 120.0 36.28 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.814 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 377' ' ' THR . . . . . 0.872 ' HB ' ' HB2' ' A' ' 381' ' ' GLU . 10.3 m -137.02 84.64 2.08 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.003 177.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 378' ' ' GLU . . . . . 0.547 ' HG3' ' H ' ' A' ' 380' ' ' ALA . 11.9 pt-20 45.52 -158.45 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.864 0.866 . . . . 0.0 112.471 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 379' ' ' SER . . . . . 0.537 ' HA ' ' OD1' ' A' ' 382' ' ' ASN . 41.7 m -59.83 -41.04 90.48 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.773 178.002 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 380' ' ' ALA . . . . . 0.547 ' H ' ' HG3' ' A' ' 378' ' ' GLU . . . -50.95 -51.17 55.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.833 0.349 . . . . 0.0 111.838 -175.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 381' ' ' GLU . . . . . 0.872 ' HB2' ' HB ' ' A' ' 377' ' ' THR . 6.4 tp10 -72.0 -49.19 39.08 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.05 -176.342 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 382' ' ' ASN . . . . . 0.537 ' OD1' ' HA ' ' A' ' 379' ' ' SER . 0.4 OUTLIER -75.58 -27.31 58.52 Favored 'General case' 0 C--O 1.223 -0.317 0 C-N-CA 120.397 -0.521 . . . . 0.0 111.315 -172.296 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 383' ' ' LYS . . . . . 0.556 ' HB3' HD13 ' A' ' 416' ' ' LEU . 13.7 mptt -65.02 -48.83 72.51 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 174.431 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -56.43 -46.21 80.36 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 114.808 -1.087 . . . . 0.0 109.943 175.255 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 385' ' ' LYS . . . . . 0.455 ' C ' ' HD3' ' A' ' 385' ' ' LYS . 13.0 tmtt? -58.52 -43.02 89.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.496 178.462 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 386' ' ' ILE . . . . . 0.508 HG13 ' O ' ' A' ' 382' ' ' ASN . 72.7 mt -63.32 -43.69 98.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.221 0.534 . . . . 0.0 109.702 -178.067 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 59.7 m -66.85 -40.46 87.91 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.591 176.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -68.99 -27.45 65.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.212 -179.096 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -72.39 -13.59 61.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.889 0.376 . . . . 0.0 111.285 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -82.8 -22.95 34.06 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 175.049 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 37.6 mtpt 53.97 -137.28 1.23 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 114.697 -1.138 . . . . 0.0 111.147 177.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 392' ' ' ASP . . . . . 0.494 ' HA ' ' HA ' ' A' ' 413' ' ' LYS . 5.1 m-20 -79.83 0.68 29.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.182 -176.151 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -78.91 109.24 13.0 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.001 0.429 . . . . 0.0 110.005 -178.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 394' ' ' GLN . . . . . 0.482 ' O ' ' HG3' ' A' ' 398' ' ' GLU . 52.2 tt0 -64.82 -45.24 87.04 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.77 -175.069 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 16.4 ttmm -70.69 -34.27 71.8 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 121.022 -0.271 . . . . 0.0 111.546 -172.686 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -61.34 -37.59 83.88 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 174.075 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 23.7 t -69.71 -40.4 76.31 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.061 176.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 398' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' A' ' 394' ' ' GLN . 44.7 mt-10 -54.66 -40.67 69.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.091 176.799 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -66.98 -40.85 87.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.232 0.539 . . . . 0.0 110.283 178.121 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 400' ' ' LEU . . . . . . . . . . . . . 69.6 mt -83.21 0.19 46.56 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.409 -177.419 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 401' ' ' LYS . . . . . 0.434 ' HA ' ' O ' ' A' ' 405' ' ' CYS . 5.6 tmtm? -58.23 -34.88 70.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.999 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -65.0 -33.76 76.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.761 178.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -81.12 -12.58 59.21 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.929 -176.009 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 122.09 14.87 4.43 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.513 -0.851 . . . . 0.0 113.195 176.661 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 405' ' ' CYS . . . . . 0.562 ' HB3' ' SG ' ' A' ' 414' ' ' CYS . 71.2 m -93.94 147.65 22.9 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.166 0.508 . . . . 0.0 111.293 179.644 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 406' ' ' VAL . . . . . 0.559 ' CG1' ' HA ' ' A' ' 417' ' ' LYS . 9.2 p -136.91 141.87 39.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 175.628 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 407' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -76.52 125.77 29.82 Favored 'General case' 0 N--CA 1.44 -0.956 0 C-N-CA 119.825 -0.75 . . . . 0.0 109.034 177.562 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -111.5 99.15 7.97 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.149 0.499 . . . . 0.0 109.777 -174.297 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 17.1 p -66.46 -17.15 64.63 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.58 -0.737 . . . . 0.0 111.859 -174.031 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -68.7 -26.33 65.23 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.293 0.568 . . . . 0.0 109.663 -178.657 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 12.8 p -117.36 -0.37 12.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.383 176.291 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 10.0 t30 68.94 10.28 7.84 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.318 176.054 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 413' ' ' LYS . . . . . 0.494 ' HA ' ' HA ' ' A' ' 392' ' ' ASP . 5.2 ptpp? -135.97 168.11 19.96 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 121.996 -0.44 . . . . 0.0 111.34 -176.437 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 414' ' ' CYS . . . . . 0.562 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 49.6 t -74.66 138.94 43.2 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.537 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -138.45 158.46 44.23 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.393 -176.333 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.556 HD13 ' HB3' ' A' ' 383' ' ' LYS . 56.1 tp -60.99 131.44 50.65 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 174.458 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 417' ' ' LYS . . . . . 0.559 ' HA ' ' CG1' ' A' ' 406' ' ' VAL . 18.5 pttp -48.68 129.87 16.95 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.317 0.58 . . . . 0.0 111.191 -171.47 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.86 -22.98 64.79 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-N 114.815 -1.084 . . . . 0.0 113.043 -164.803 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 419' ' ' ASP . . . . . 0.608 ' O ' ' HD3' ' A' ' 423' ' ' LYS . 33.7 t70 -63.75 -37.68 88.28 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.095 0.474 . . . . 0.0 110.346 176.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 93.6 t -76.1 -41.6 37.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.254 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 421' ' ' LYS . . . . . 0.412 ' O ' ' HG2' ' A' ' 425' ' ' GLU . 19.6 ttmt -68.28 -36.2 79.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.896 0.379 . . . . 0.0 110.652 -179.412 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -59.78 -44.58 93.83 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.054 175.28 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 423' ' ' LYS . . . . . 0.608 ' HD3' ' O ' ' A' ' 419' ' ' ASP . 0.6 OUTLIER -81.26 -6.18 58.59 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.386 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 64.0 tp -89.34 -58.82 2.4 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.873 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 425' ' ' GLU . . . . . 0.642 ' HG3' ' HB2' ' A' ' 427' ' ' GLU . 9.6 pt-20 -98.8 0.6 44.7 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.655 -176.413 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 62.3 mttm 61.39 32.12 19.08 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.672 176.427 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 427' ' ' GLU . . . . . 0.642 ' HB2' ' HG3' ' A' ' 425' ' ' GLU . 0.8 OUTLIER -82.44 44.61 0.89 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.683 0.754 . . . . 0.0 110.236 -175.136 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 18.6 p -101.61 -55.9 2.41 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.397 172.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -108.26 -24.58 11.43 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.859 175.248 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -102.71 89.57 3.54 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.371 0.605 . . . . 0.0 110.715 -178.322 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 431' ' ' THR . . . . . . . . . . . . . 26.4 m -101.0 -32.41 10.64 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.735 177.066 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -97.45 159.01 15.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.072 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 96.9 17.68 31.9 Favored Glycine 0 N--CA 1.449 -0.473 0 N-CA-C 109.998 -1.241 . . . . 0.0 109.998 -171.413 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -88.47 -8.6 54.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.374 -0.913 . . . . 0.0 111.309 -174.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 32.4 t70 64.17 75.97 0.36 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.415 0.626 . . . . 0.0 109.35 -170.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.0 -69.75 0.16 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.197 -0.911 . . . . 0.0 109.052 178.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 17.1 pttm -139.53 -1.51 1.67 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.877 169.584 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -166.2 102.73 0.63 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.932 178.648 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -83.28 25.44 0.72 Allowed 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.201 -178.641 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 22.7 m 65.5 76.79 0.32 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.511 0.672 . . . . 0.0 109.651 -173.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 27.0 m -79.15 107.62 12.05 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.589 -177.278 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . 118.74 146.63 8.02 Favored Glycine 0 N--CA 1.443 -0.849 0 C-N-CA 121.063 -0.589 . . . . 0.0 111.633 -177.515 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 8.7 t . . . . . 0 C--O 1.251 1.163 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 -179.268 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.55 0 N-CA-C 111.96 -0.456 . . . . 0.0 111.96 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 19.3 m 68.94 -178.39 0.22 Allowed 'General case' 0 C--O 1.235 0.294 0 C-N-CA 123.057 0.543 . . . . 0.0 110.671 -177.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 90.6 mttt 66.94 -84.1 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.98 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 374' ' ' LYS . . . . . . . . . . . . . 68.3 mttm 59.35 98.8 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.093 0.557 . . . . 0.0 112.086 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 375' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 63.28 -160.75 0.3 Allowed 'General case' 0 C--O 1.233 0.191 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.495 -178.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -102.2 96.15 6.79 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.799 0.333 . . . . 0.0 110.229 177.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 377' ' ' THR . . . . . . . . . . . . . 12.1 p -58.4 106.61 0.4 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.217 176.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 378' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -60.22 -45.08 94.43 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.437 -172.114 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 49.2 m -58.02 -52.13 66.8 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.046 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -65.01 -41.75 95.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.165 179.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -59.06 -58.63 7.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.506 -175.055 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 382' ' ' ASN . . . . . 0.572 ' O ' HG13 ' A' ' 386' ' ' ILE . 2.9 p30 -70.15 -32.25 70.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.058 -173.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 383' ' ' LYS . . . . . 0.483 ' HB3' HD13 ' A' ' 416' ' ' LEU . 13.3 mptt -68.74 -46.23 69.41 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -179.667 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -59.15 -41.36 88.16 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.296 177.472 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 385' ' ' LYS . . . . . 0.422 ' HD2' ' HA ' ' A' ' 385' ' ' LYS . 19.5 tptm -67.58 -29.05 68.31 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.973 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 386' ' ' ILE . . . . . 0.572 HG13 ' O ' ' A' ' 382' ' ' ASN . 79.6 mt -65.54 -44.14 94.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 175.007 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 14.4 m -61.59 -41.89 98.08 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.113 175.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -73.59 -17.76 61.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.565 -177.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -77.86 -22.84 49.23 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.25 0.548 . . . . 0.0 110.586 176.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -87.41 -35.24 18.42 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.036 178.2 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 45.0 mtmt 67.23 -86.34 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 114.971 -1.013 . . . . 0.0 112.366 174.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -121.93 -9.22 8.79 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.64 -171.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -75.51 85.99 2.61 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.525 0.678 . . . . 0.0 110.568 -175.5 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -53.95 -45.32 71.27 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.362 -1.29 . . . . 0.0 112.725 -172.12 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 395' ' ' LYS . . . . . 0.431 ' HD2' ' HA ' ' A' ' 395' ' ' LYS . 38.7 tptt -64.06 -40.23 95.82 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.911 -0.316 . . . . 0.0 111.081 -175.088 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 396' ' ' ALA . . . . . 0.483 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -63.08 -31.95 73.21 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.646 0.736 . . . . 0.0 109.922 177.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 397' ' ' CYS . . . . . 0.537 ' HA ' ' CD1' ' A' ' 400' ' ' LEU . 86.3 m -76.94 -35.99 56.88 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 114.911 -1.041 . . . . 0.0 111.31 -178.354 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -55.96 -36.5 67.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.811 0.339 . . . . 0.0 110.284 171.162 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 41.2 m-80 -64.42 -46.25 84.05 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.201 178.082 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.537 ' CD1' ' HA ' ' A' ' 397' ' ' CYS . 1.8 pp -98.44 18.7 15.93 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.895 0.379 . . . . 0.0 111.779 -177.618 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 401' ' ' LYS . . . . . 0.645 ' HA ' ' O ' ' A' ' 405' ' ' CYS . 14.1 tmtt? -56.52 -46.65 80.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.211 179.105 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -62.06 -19.59 63.08 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.625 -176.251 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 403' ' ' LYS . . . . . 0.476 ' HD2' ' HB2' ' A' ' 400' ' ' LEU . 61.8 mttp -76.02 -20.99 57.35 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.518 -178.422 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 404' ' ' GLY . . . . . 0.422 ' O ' HD12 ' A' ' 416' ' ' LEU . . . 136.59 -6.6 3.87 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.381 177.777 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 405' ' ' CYS . . . . . 0.645 ' O ' ' HA ' ' A' ' 401' ' ' LYS . 73.3 m -94.89 113.54 25.28 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.151 0.501 . . . . 0.0 111.638 -175.048 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 406' ' ' VAL . . . . . 0.508 HG23 ' HB2' ' A' ' 417' ' ' LYS . 39.5 t -110.92 136.6 46.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 175.731 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 407' ' ' PHE . . . . . 0.538 ' HD1' ' SG ' ' A' ' 414' ' ' CYS . 27.0 t80 -75.16 122.37 23.52 Favored 'General case' 0 N--CA 1.44 -0.955 0 C-N-CA 119.858 -0.737 . . . . 0.0 109.711 178.075 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -99.14 110.3 22.88 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 -179.299 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 2.7 p -76.04 -15.97 60.03 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.927 0.394 . . . . 0.0 111.585 -177.146 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -84.39 -52.91 5.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.075 178.61 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 20.7 m -71.9 -24.78 61.71 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.084 0.468 . . . . 0.0 109.786 175.011 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 70.14 47.51 0.56 Allowed 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.295 175.58 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -161.0 161.15 31.4 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.284 174.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 414' ' ' CYS . . . . . 0.538 ' SG ' ' HD1' ' A' ' 407' ' ' PHE . 59.9 m -73.97 118.08 16.5 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 172.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -127.81 133.53 49.42 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.574 -168.357 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.553 HD21 ' HD3' ' A' ' 421' ' ' LYS . 36.4 tp -58.24 128.13 35.58 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 174.213 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 417' ' ' LYS . . . . . 0.508 ' HB2' HG23 ' A' ' 406' ' ' VAL . 23.0 tptp -74.74 86.64 2.19 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 -176.732 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 418' ' ' LYS . . . . . 0.58 ' O ' ' HB2' ' A' ' 422' ' ' GLU . 16.2 ptmt -63.03 -26.84 69.04 Favored 'General case' 0 C--O 1.22 -0.46 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.764 -174.679 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.2 -51.41 53.8 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.76 178.657 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 76.6 t -69.58 -42.91 80.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 120.837 0.351 . . . . 0.0 110.328 178.115 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 421' ' ' LYS . . . . . 0.553 ' HD3' HD21 ' A' ' 416' ' ' LEU . 3.6 ttpp -65.21 -27.82 68.95 Favored 'General case' 0 C--O 1.213 -0.855 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.304 -179.557 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 422' ' ' GLU . . . . . 0.58 ' HB2' ' O ' ' A' ' 418' ' ' LYS . 1.4 tp10 -72.81 -42.38 63.9 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.274 0.559 . . . . 0.0 109.536 -178.835 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 423' ' ' LYS . . . . . 0.532 ' O ' ' HG2' ' A' ' 426' ' ' LYS . 88.0 tttt -65.74 -37.94 87.76 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.181 177.314 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 56.4 tp -75.67 -34.73 60.48 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.791 178.353 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 425' ' ' GLU . . . . . 0.53 ' HB2' ' O ' ' A' ' 421' ' ' LYS . 6.8 tp10 -55.84 -58.29 8.47 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.516 0.674 . . . . 0.0 109.454 179.261 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 426' ' ' LYS . . . . . 0.871 ' HG3' ' HE2' ' A' ' 429' ' ' LYS . 2.3 mmpm? 65.62 -178.2 0.19 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 114.239 -1.346 . . . . 0.0 112.775 177.107 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 427' ' ' GLU . . . . . 0.461 ' OE1' ' HD3' ' A' ' 426' ' ' LYS . 0.0 OUTLIER -148.14 -41.25 0.16 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.785 -1.098 . . . . 0.0 110.76 -171.411 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 19.6 m -100.63 34.22 2.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.806 -177.086 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 429' ' ' LYS . . . . . 0.871 ' HE2' ' HG3' ' A' ' 426' ' ' LYS . 60.5 mttm -104.78 18.32 22.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.777 0.322 . . . . 0.0 110.975 177.586 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -95.98 103.47 15.36 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 178.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 431' ' ' THR . . . . . . . . . . . . . 16.2 m -64.8 -45.94 84.14 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.335 0.588 . . . . 0.0 109.577 175.646 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 432' ' ' GLU . . . . . 0.414 ' O ' ' HG3' ' A' ' 434' ' ' LYS . 18.5 tp10 -78.83 107.18 11.36 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 171.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -57.75 -44.48 94.14 Favored Glycine 0 C--N 1.33 0.224 0 O-C-N 123.645 0.591 . . . . 0.0 113.014 -173.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 434' ' ' LYS . . . . . 0.414 ' HG3' ' O ' ' A' ' 432' ' ' GLU . 60.8 mttp 72.01 -64.94 0.37 Allowed 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 123.235 0.614 . . . . 0.0 111.145 178.435 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 435' ' ' ASP . . . . . 0.855 ' HA ' ' HB2' ' A' ' 439' ' ' ASN . 29.9 m-20 -76.48 81.64 3.19 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 177.697 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -128.43 -45.84 1.34 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.123 -175.678 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 24.4 tptp -68.05 -64.63 0.82 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.41 -174.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -163.59 33.22 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.678 0.752 . . . . 0.0 109.03 178.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 439' ' ' ASN . . . . . 0.855 ' HB2' ' HA ' ' A' ' 435' ' ' ASP . 10.2 m120 -90.31 126.36 35.83 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.947 -1.024 . . . . 0.0 111.49 -170.235 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 12.3 m 70.83 -68.67 0.2 Allowed 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 112.97 0.73 . . . . 0.0 112.97 171.242 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 441' ' ' THR . . . . . 0.44 HG22 ' H ' ' A' ' 443' ' ' SER . 51.7 m -99.44 111.69 24.0 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.958 0.408 . . . . 0.0 110.792 -176.326 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . -96.66 35.09 4.59 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 121.012 -0.613 . . . . 0.0 112.013 179.486 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 443' ' ' SER . . . . . 0.44 ' H ' HG22 ' A' ' 441' ' ' THR . 32.9 m . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.806 -0.616 . . . . 0.0 109.552 178.143 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.667 0 N-CA-C 112.103 -0.399 . . . . 0.0 112.103 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 27.5 t -108.09 111.47 23.52 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 178.245 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -105.18 104.47 14.21 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.333 0.587 . . . . 0.0 111.2 -175.844 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 374' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -133.54 109.59 9.35 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.422 176.013 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 375' ' ' GLN . . . . . . . . . . . . . 14.3 tm0? -78.89 96.27 5.64 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 177.031 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -100.24 138.63 37.05 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.22 -177.875 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 377' ' ' THR . . . . . 0.679 HG22 ' HB2' ' A' ' 381' ' ' GLU . 0.3 OUTLIER -65.88 -64.7 0.8 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.315 -179.664 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 378' ' ' GLU . . . . . 0.434 ' HB2' ' H ' ' A' ' 379' ' ' SER . 11.3 pt-20 37.23 -149.65 0.01 OUTLIER 'General case' 0 C--O 1.241 0.656 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 173.125 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 379' ' ' SER . . . . . 0.434 ' H ' ' HB2' ' A' ' 378' ' ' GLU . 14.7 m -58.28 -30.75 66.86 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 114.572 -1.194 . . . . 0.0 111.892 -175.321 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -53.34 -47.24 69.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.878 0.371 . . . . 0.0 110.479 177.999 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 381' ' ' GLU . . . . . 0.679 ' HB2' HG22 ' A' ' 377' ' ' THR . 11.2 tp10 -66.51 -40.99 89.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.099 -179.662 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 382' ' ' ASN . . . . . 0.487 ' O ' HG13 ' A' ' 386' ' ' ILE . 13.5 m120 -61.32 -52.21 65.63 Favored 'General case' 0 CA--C 1.507 -0.697 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.783 179.054 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 383' ' ' LYS . . . . . 0.573 ' HB3' HD13 ' A' ' 416' ' ' LEU . 1.7 mptm? -57.08 -45.84 83.02 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.658 179.32 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -55.32 -50.61 69.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.687 174.005 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -54.57 -40.7 69.04 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.273 0.472 . . . . 0.0 112.273 178.807 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 386' ' ' ILE . . . . . 0.487 HG13 ' O ' ' A' ' 382' ' ' ASN . 51.5 mt -68.48 -41.17 83.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 121.099 0.476 . . . . 0.0 109.916 -178.87 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 38.9 m -68.27 -44.9 74.54 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.513 177.112 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -66.66 -27.37 67.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.04 -175.664 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -63.63 -16.38 60.8 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.338 0.495 . . . . 0.0 112.338 178.391 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -85.76 -26.4 25.85 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.188 0.518 . . . . 0.0 109.829 178.166 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 60.9 mttm 55.34 -103.07 0.17 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 114.718 -1.128 . . . . 0.0 113.153 176.402 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -98.68 -21.33 16.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.918 -168.578 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -78.32 104.22 8.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.284 0.564 . . . . 0.0 110.666 -177.357 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -64.02 -37.73 88.48 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.186 -0.916 . . . . 0.0 111.282 -178.448 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -62.3 -45.18 94.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.445 -177.372 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 396' ' ' ALA . . . . . 0.48 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -64.44 -39.75 94.43 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-O 120.795 0.331 . . . . 0.0 110.393 178.761 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 397' ' ' CYS . . . . . 0.437 ' O ' HD12 ' A' ' 400' ' ' LEU . 44.3 t -57.77 -50.75 72.21 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.525 0.678 . . . . 0.0 110.401 177.053 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 398' ' ' GLU . . . . . 0.819 ' HA ' ' HB2' ' A' ' 401' ' ' LYS . 34.9 mt-10 -80.32 0.5 32.66 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.4 -177.366 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -80.65 -43.69 20.03 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.249 0.547 . . . . 0.0 109.588 168.333 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 1.3 pp -97.23 14.38 26.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.332 176.881 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 401' ' ' LYS . . . . . 0.819 ' HB2' ' HA ' ' A' ' 398' ' ' GLU . 57.2 tptt -41.99 -36.6 1.15 Allowed 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 114.336 -1.302 . . . . 0.0 112.96 174.502 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -61.41 -21.88 64.5 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 120.616 0.246 . . . . 0.0 111.603 -176.5 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 403' ' ' LYS . . . . . 0.401 ' CD ' HG21 ' A' ' 386' ' ' ILE . 65.3 mttm -75.3 -6.77 51.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.914 0.387 . . . . 0.0 110.748 179.175 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 100.3 16.1 28.35 Favored Glycine 0 N--CA 1.447 -0.628 0 N-CA-C 111.659 -0.577 . . . . 0.0 111.659 -178.303 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 71.3 m -89.27 103.93 16.52 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 121.181 0.515 . . . . 0.0 110.927 -178.2 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 2.5 p -101.6 122.36 53.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.874 176.27 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 407' ' ' PHE . . . . . 0.598 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 36.7 t80 -64.15 123.35 18.84 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 179.157 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -99.72 108.66 21.04 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.201 -176.074 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 4.2 p -76.51 -22.78 54.01 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.263 -178.487 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -63.91 -41.04 97.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.897 0.379 . . . . 0.0 110.779 -177.87 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 16.3 m -108.13 0.68 21.73 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 179.441 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 5.7 t30 54.99 69.61 0.71 Allowed 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.312 -179.233 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 17.0 pttp -177.3 145.79 0.46 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.447 174.82 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 414' ' ' CYS . . . . . 0.598 ' HA ' ' HA ' ' A' ' 407' ' ' PHE . 53.4 t -70.49 123.11 21.01 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 176.207 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -136.09 172.26 13.27 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.408 -176.928 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.916 HD23 ' HD3' ' A' ' 418' ' ' LYS . 24.5 tp -79.4 153.33 29.79 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 417' ' ' LYS . . . . . 0.779 ' HD2' ' HG ' ' A' ' 416' ' ' LEU . 0.0 OUTLIER -51.13 -23.09 2.91 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 123.313 0.383 . . . . 0.0 111.942 -179.623 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 418' ' ' LYS . . . . . 0.916 ' HD3' HD23 ' A' ' 416' ' ' LEU . 19.3 mtpp -49.12 -54.0 18.19 Favored 'General case' 0 CA--C 1.517 -0.298 0 C-N-CA 122.996 0.518 . . . . 0.0 112.185 178.341 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 419' ' ' ASP . . . . . 0.496 ' O ' ' HG2' ' A' ' 423' ' ' LYS . 15.0 t70 -68.87 -41.07 78.9 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.159 -172.68 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 94.5 t -66.25 -44.58 91.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.849 -179.606 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 25.6 ttmt -72.02 -23.33 61.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.102 0.477 . . . . 0.0 110.239 179.025 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 422' ' ' GLU . . . . . 0.443 ' HB3' ' O ' ' A' ' 419' ' ' ASP . 34.8 tt0 -64.04 -41.82 97.27 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.798 172.137 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 423' ' ' LYS . . . . . 0.496 ' HG2' ' O ' ' A' ' 419' ' ' ASP . 46.7 mmtm -75.47 -13.83 60.4 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.271 178.754 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 63.8 tp -83.45 -36.74 23.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.098 174.317 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -73.0 -41.32 64.4 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 176.379 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 42.6 tptt -64.11 116.68 6.17 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.364 172.602 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 59.97 51.15 6.09 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.567 -175.536 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 34.4 p -55.44 104.18 0.12 Allowed 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.057 -178.24 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 429' ' ' LYS . . . . . 0.419 ' HB3' ' HE2' ' A' ' 429' ' ' LYS . 15.1 ptpt -120.0 -46.86 2.41 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.407 -176.682 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 430' ' ' GLU . . . . . 0.467 ' O ' ' HD3' ' A' ' 434' ' ' LYS . 43.8 mt-10 63.96 -74.67 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 O-C-N 123.729 0.643 . . . . 0.0 111.435 -177.598 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 431' ' ' THR . . . . . . . . . . . . . 7.5 p -136.91 77.88 1.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.662 0.744 . . . . 0.0 110.578 179.732 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -90.98 4.6 51.62 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.853 179.374 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 139.93 61.86 0.04 OUTLIER Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.774 -0.727 . . . . 0.0 111.32 -174.356 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 434' ' ' LYS . . . . . 0.467 ' HD3' ' O ' ' A' ' 430' ' ' GLU . 0.0 OUTLIER -147.94 136.08 21.28 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.13 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 435' ' ' ASP . . . . . 0.463 ' HA ' ' HB3' ' A' ' 439' ' ' ASN . 3.7 m-20 58.77 -154.35 0.37 Allowed 'General case' 0 C--N 1.327 -0.382 0 O-C-N 123.322 0.389 . . . . 0.0 110.274 178.689 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 62.89 16.46 9.17 Favored 'General case' 0 N--CA 1.468 0.473 0 O-C-N 123.718 0.636 . . . . 0.0 111.336 175.966 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 28.4 ttmt 173.23 -63.72 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.188 -178.68 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -116.13 110.97 19.57 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.169 -175.764 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 439' ' ' ASN . . . . . 0.463 ' HB3' ' HA ' ' A' ' 435' ' ' ASP . 32.7 p-10 -162.54 -34.2 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.356 178.501 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 67.9 p 58.3 173.67 0.06 Allowed 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 124.438 1.095 . . . . 0.0 113.134 173.541 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 12.0 t -125.75 -1.22 7.33 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 173.124 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . -162.81 120.56 0.95 Allowed Glycine 0 N--CA 1.444 -0.826 0 CA-C-N 114.545 -1.207 . . . . 0.0 110.32 177.997 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 60.4 p . . . . . 0 C--O 1.251 1.175 0 CA-C-O 118.294 -0.86 . . . . 0.0 110.895 -173.035 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.621 0 N-CA-C 111.734 -0.546 . . . . 0.0 111.734 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 3.5 p -91.68 -41.82 10.51 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.999 0.428 . . . . 0.0 110.576 179.462 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -85.04 -23.81 28.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.409 0.623 . . . . 0.0 109.623 175.173 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 374' ' ' LYS . . . . . 0.535 ' NZ ' ' HA ' ' A' ' 425' ' ' GLU . 20.0 mmmt -94.57 99.48 11.61 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.876 -171.472 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 375' ' ' GLN . . . . . . . . . . . . . 53.5 tp60 -87.13 -30.6 20.95 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.236 0.541 . . . . 0.0 109.844 174.458 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -138.2 113.97 9.82 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.631 -179.369 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 377' ' ' THR . . . . . . . . . . . . . 9.9 t -87.99 -20.41 25.88 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 174.259 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 378' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -55.52 -39.3 70.35 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 114.813 -1.085 . . . . 0.0 111.058 178.778 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 379' ' ' SER . . . . . 0.533 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 6.2 m -53.66 -53.35 53.13 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.351 -177.524 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 380' ' ' ALA . . . . . 0.619 ' HB2' ' HG ' ' A' ' 424' ' ' LEU . . . -70.73 -41.04 72.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.818 0.342 . . . . 0.0 110.347 178.672 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -55.01 -57.86 9.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.536 -175.848 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 382' ' ' ASN . . . . . 0.523 ' O ' HG13 ' A' ' 386' ' ' ILE . 1.9 p30 -75.72 -37.35 59.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.131 -174.882 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 383' ' ' LYS . . . . . 0.533 ' HB2' ' O ' ' A' ' 379' ' ' SER . 10.8 mptt -66.46 -46.07 77.63 Favored 'General case' 0 CA--C 1.517 -0.299 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.124 -178.028 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -58.45 -46.81 85.8 Favored 'General case' 0 C--O 1.222 -0.373 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.02 175.242 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -60.78 -34.7 74.88 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.388 -179.077 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 386' ' ' ILE . . . . . 0.523 HG13 ' O ' ' A' ' 382' ' ' ASN . 75.9 mt -68.89 -48.58 69.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 178.254 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 62.8 m -64.01 -42.39 97.16 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.827 179.159 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -76.31 -17.33 59.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.723 -174.496 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -62.5 -27.61 69.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.28 176.731 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -77.3 -24.03 50.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.113 0.482 . . . . 0.0 109.748 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 56.5 mttp 58.93 -108.21 0.39 Allowed 'General case' 0 C--O 1.234 0.269 0 CA-C-N 114.957 -1.019 . . . . 0.0 111.74 174.707 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -101.93 -0.61 33.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.734 -177.034 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -85.32 106.48 16.74 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.084 0.469 . . . . 0.0 110.151 -178.631 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 394' ' ' GLN . . . . . 0.431 ' O ' ' HG2' ' A' ' 398' ' ' GLU . 6.3 tt0 -69.54 -40.01 77.12 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.43 -176.599 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -60.68 -42.05 96.34 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.933 0.397 . . . . 0.0 110.875 -176.811 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 396' ' ' ALA . . . . . 0.488 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -62.11 -36.69 82.49 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.106 175.941 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 7.9 t -69.29 -39.16 78.49 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.597 -179.781 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 398' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 394' ' ' GLN . 62.3 mm-40 -62.03 -27.15 68.68 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.58 176.817 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -79.15 -25.62 42.86 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.259 174.532 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 92.6 mt -91.05 1.82 56.79 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.94 179.691 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 17.7 mmtp -51.62 -36.68 46.81 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 123.078 0.551 . . . . 0.0 111.324 175.376 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -56.15 -39.4 72.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.671 177.837 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 403' ' ' LYS . . . . . 0.425 ' HD2' ' N ' ' A' ' 403' ' ' LYS . 3.2 mptp? -79.44 -15.44 57.81 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.816 -174.351 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 108.88 10.59 24.33 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.505 -0.855 . . . . 0.0 111.969 -177.314 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 58.7 m -84.23 132.39 34.65 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 178.49 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 406' ' ' VAL . . . . . 0.497 ' CG2' ' HB3' ' A' ' 417' ' ' LYS . 65.2 t -131.78 128.65 60.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 178.353 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 407' ' ' PHE . . . . . 0.442 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 26.3 t80 -65.98 120.61 13.42 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-O 121.325 0.583 . . . . 0.0 109.707 177.4 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -105.91 108.88 20.63 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.299 -175.338 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.65 -14.06 60.35 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.921 0.391 . . . . 0.0 111.597 -177.364 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -55.95 -52.29 64.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.08 171.931 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 42.4 t -98.28 -8.96 26.24 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.205 -179.786 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 6.3 t30 55.66 68.12 0.91 Allowed 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.008 -171.901 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 6.1 tppp? -166.32 143.7 5.22 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.133 -172.096 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 414' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 407' ' ' PHE . 51.2 t -75.94 120.22 20.98 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.741 -0.836 . . . . 0.0 108.741 169.732 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -137.22 152.94 50.42 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.268 -174.756 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.432 ' HG ' HG23 ' A' ' 420' ' ' VAL . 36.2 tp -64.32 119.47 10.36 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 175.413 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 417' ' ' LYS . . . . . 0.497 ' HB3' ' CG2' ' A' ' 406' ' ' VAL . 65.6 pttt -55.34 146.41 19.51 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.156 0.503 . . . . 0.0 111.088 -172.078 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 418' ' ' LYS . . . . . 0.425 ' HE3' ' HB2' ' A' ' 418' ' ' LYS . 15.2 ptmt -60.84 -27.78 68.33 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.597 -0.729 . . . . 0.0 112.253 -171.452 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -65.03 -42.14 94.63 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.019 0.438 . . . . 0.0 111.445 -176.026 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 420' ' ' VAL . . . . . 0.432 HG23 ' HG ' ' A' ' 416' ' ' LEU . 10.4 m -82.7 -31.66 9.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 C-N-CA 120.719 -0.393 . . . . 0.0 111.069 -179.921 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -71.5 -32.24 68.0 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.612 177.656 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -75.02 -28.79 60.62 Favored 'General case' 0 C--O 1.218 -0.584 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 176.26 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 423' ' ' LYS . . . . . 0.614 ' O ' ' HD3' ' A' ' 423' ' ' LYS . 8.4 tmtt? -69.7 -31.32 69.28 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.438 0.637 . . . . 0.0 109.486 174.697 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 424' ' ' LEU . . . . . 0.619 ' HG ' ' HB2' ' A' ' 380' ' ' ALA . 3.2 tm? -63.51 -39.88 95.59 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.917 177.696 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 425' ' ' GLU . . . . . 0.535 ' HA ' ' NZ ' ' A' ' 374' ' ' LYS . 44.2 mm-40 -77.71 -50.38 12.53 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.66 173.343 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.09 78.53 8.14 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.071 -177.828 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -72.25 -37.44 69.1 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.699 172.492 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 69.6 m -158.37 -35.98 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.54 178.838 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -118.49 62.89 0.77 Allowed 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 112.443 0.535 . . . . 0.0 112.443 -172.898 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 37.21 -95.64 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.225 1.01 . . . . 0.0 113.474 177.822 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 431' ' ' THR . . . . . 0.454 ' O ' ' HB3' ' A' ' 432' ' ' GLU . 8.3 t -157.78 -18.57 0.08 Allowed 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 -175.096 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 432' ' ' GLU . . . . . 0.454 ' HB3' ' O ' ' A' ' 431' ' ' THR . 10.8 tp10 70.63 100.42 0.06 Allowed 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.483 0.659 . . . . 0.0 110.435 -176.585 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 96.55 -94.14 1.59 Allowed Glycine 0 N--CA 1.447 -0.587 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.349 -177.645 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 434' ' ' LYS . . . . . 0.404 ' HE3' ' HB2' ' A' ' 436' ' ' GLU . 60.7 pttt -157.9 -177.5 6.62 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 175.074 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -78.19 12.55 1.82 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.557 -173.988 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 436' ' ' GLU . . . . . 0.404 ' HB2' ' HE3' ' A' ' 434' ' ' LYS . 28.4 tt0 -59.05 -40.47 85.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.19 0.519 . . . . 0.0 110.352 177.335 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -104.12 18.67 21.59 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.496 -177.97 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -142.77 -94.12 0.12 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.563 -176.953 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 59.3 m-80 -85.17 79.93 9.39 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-O 121.033 0.444 . . . . 0.0 110.895 -175.363 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 24.4 m -105.0 104.76 14.56 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.223 176.408 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 10.3 t -76.07 145.11 40.35 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.359 -179.832 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . 79.24 54.5 4.04 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.602 -0.808 . . . . 0.0 112.282 -178.945 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 56.1 m . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.659 -0.686 . . . . 0.0 109.677 177.198 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.863 0 N-CA-C 112.364 -0.294 . . . . 0.0 112.364 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 48.8 m -80.31 82.67 6.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.345 0.593 . . . . 0.0 110.569 -178.401 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -149.45 -64.23 0.22 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.592 -178.699 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 374' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -82.06 -61.6 1.86 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.78 -177.732 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 375' ' ' GLN . . . . . 0.485 ' HA ' ' OE1' ' A' ' 378' ' ' GLU . 16.3 tt0 -170.14 133.07 1.11 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 176.741 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 178.66 -64.96 0.01 OUTLIER 'General case' 0 CA--C 1.518 -0.275 0 CA-C-O 121.314 0.578 . . . . 0.0 111.427 177.712 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 377' ' ' THR . . . . . 0.573 ' O ' ' HG2' ' A' ' 381' ' ' GLU . 33.8 p -99.57 -30.8 11.93 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 115.143 -0.935 . . . . 0.0 112.817 -169.861 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 378' ' ' GLU . . . . . 0.485 ' OE1' ' HA ' ' A' ' 375' ' ' GLN . 0.2 OUTLIER -57.64 -33.89 68.76 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 111.911 0.338 . . . . 0.0 111.911 -169.876 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 10.8 p -62.8 -46.22 88.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.957 0.408 . . . . 0.0 110.79 178.717 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -69.16 -41.84 76.72 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.782 179.526 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 381' ' ' GLU . . . . . 0.573 ' HG2' ' O ' ' A' ' 377' ' ' THR . 17.3 mm-40 -53.77 -58.94 5.41 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.377 -177.826 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 382' ' ' ASN . . . . . 0.501 ' O ' HG13 ' A' ' 386' ' ' ILE . 3.4 p30 -72.62 -30.77 64.62 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.183 -174.134 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 383' ' ' LYS . . . . . 0.659 ' HB3' HD13 ' A' ' 416' ' ' LEU . 13.4 mptt -68.72 -43.17 76.52 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-O 120.993 0.425 . . . . 0.0 109.889 -179.29 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -57.53 -39.51 76.75 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.041 175.872 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -68.75 -37.68 79.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.545 178.908 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 386' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 382' ' ' ASN . 80.8 mt -63.07 -46.93 94.87 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.341 0 CA-C-O 121.269 0.557 . . . . 0.0 109.527 177.927 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 61.7 m -62.2 -44.57 96.28 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.732 177.915 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -74.75 -19.58 60.16 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -174.727 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -72.71 -11.62 60.7 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.84 0.352 . . . . 0.0 110.925 176.982 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -90.92 -14.88 30.78 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 175.415 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? 54.78 -99.88 0.1 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 114.477 -1.238 . . . . 0.0 112.31 178.621 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -128.15 13.05 6.67 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.305 -174.682 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -83.33 98.36 9.4 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.281 178.593 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -62.29 -32.56 73.3 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 121.138 -0.225 . . . . 0.0 110.939 -178.908 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -57.68 -51.99 67.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.992 0.425 . . . . 0.0 110.051 175.974 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 396' ' ' ALA . . . . . 0.572 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -66.23 -34.9 79.06 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.342 -179.523 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 397' ' ' CYS . . . . . 0.516 ' SG ' ' HD2' ' A' ' 407' ' ' PHE . 59.9 m -62.61 -42.48 99.6 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.349 176.703 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -60.37 -33.93 73.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.797 0.332 . . . . 0.0 110.992 176.594 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 38.0 m-80 -65.59 -52.62 50.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.095 177.746 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 1.8 pp -95.49 15.62 19.2 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 111.976 0.362 . . . . 0.0 111.976 -175.59 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -62.1 -33.63 74.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.43 0.634 . . . . 0.0 109.368 176.104 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 402' ' ' GLU . . . . . 0.441 ' HG3' ' HG3' ' A' ' 403' ' ' LYS . 3.3 pt-20 -59.67 -25.06 64.43 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.584 176.301 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 403' ' ' LYS . . . . . 0.441 ' HG3' ' HG3' ' A' ' 402' ' ' GLU . 59.1 mttp -89.88 2.49 54.94 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.476 -172.871 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 404' ' ' GLY . . . . . 0.401 ' O ' HD12 ' A' ' 416' ' ' LEU . . . 103.02 17.59 17.93 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.218 -0.992 . . . . 0.0 112.786 176.783 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 71.5 m -104.71 137.66 42.18 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.273 177.703 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 406' ' ' VAL . . . . . 0.65 ' HB ' ' HD3' ' A' ' 417' ' ' LYS . 10.9 p -125.27 140.38 48.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.949 179.505 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 407' ' ' PHE . . . . . 0.516 ' HD2' ' SG ' ' A' ' 397' ' ' CYS . 37.6 t80 -84.23 130.87 34.79 Favored 'General case' 0 N--CA 1.441 -0.898 0 CA-C-O 121.446 0.641 . . . . 0.0 110.478 179.206 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 408' ' ' ASN . . . . . 0.44 ' O ' ' HA ' ' A' ' 412' ' ' ASN . 52.1 t-20 -99.53 122.5 42.68 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.397 -0.82 . . . . 0.0 108.842 179.17 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 17.4 p -91.7 -11.34 37.18 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.941 0.401 . . . . 0.0 111.383 -176.847 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -82.27 -59.27 2.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.682 176.678 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 4.4 m -77.9 -17.51 57.21 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.05 177.075 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 412' ' ' ASN . . . . . 0.44 ' HA ' ' O ' ' A' ' 408' ' ' ASN . 4.8 t30 60.88 66.59 0.89 Allowed 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.144 -0.934 . . . . 0.0 110.598 178.673 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -172.35 159.63 4.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.671 179.438 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 414' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.02 138.64 39.71 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.405 174.477 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -140.1 165.61 26.9 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.785 175.312 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.659 HD13 ' HB3' ' A' ' 383' ' ' LYS . 44.9 tp -69.42 134.65 49.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.719 0.295 . . . . 0.0 110.619 178.708 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 417' ' ' LYS . . . . . 0.65 ' HD3' ' HB ' ' A' ' 406' ' ' VAL . 44.2 tptt -67.01 94.46 0.33 Allowed 'General case' 0 C--O 1.238 0.478 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.874 -177.627 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -64.84 -35.34 80.8 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.272 -176.908 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 419' ' ' ASP . . . . . 0.418 ' HB2' ' HE3' ' A' ' 417' ' ' LYS . 7.6 m-20 -50.39 -58.03 6.63 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-O 121.513 0.673 . . . . 0.0 111.132 -178.976 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 68.3 t -63.0 -49.22 84.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.859 -177.775 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 421' ' ' LYS . . . . . 0.431 ' HA ' ' HB3' ' A' ' 424' ' ' LEU . 4.3 tmmm? -69.69 -24.35 63.57 Favored 'General case' 0 C--O 1.214 -0.802 0 C-N-CA 120.401 -0.52 . . . . 0.0 111.701 -176.803 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -65.95 -49.49 67.72 Favored 'General case' 0 C--N 1.316 -0.891 0 O-C-N 121.952 -0.467 . . . . 0.0 110.119 179.177 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 423' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 427' ' ' GLU . 6.3 ptpp? -81.79 -3.2 53.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.047 178.401 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 424' ' ' LEU . . . . . 0.431 ' HB3' ' HA ' ' A' ' 421' ' ' LYS . 8.2 tt -96.02 -39.32 9.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.764 174.414 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -63.01 -54.05 44.31 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.788 -178.61 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 22.3 ttpp -146.51 104.07 3.73 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.604 176.565 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 427' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 423' ' ' LYS . 39.6 tt0 -109.85 -34.55 6.41 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 172.672 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 4.5 p -151.47 79.93 1.29 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.554 178.834 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp -99.94 -30.7 11.86 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 170.595 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -77.39 91.93 3.91 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 114.778 -1.101 . . . . 0.0 110.339 179.214 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 431' ' ' THR . . . . . . . . . . . . . 1.9 p -86.83 24.98 1.36 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.459 0.647 . . . . 0.0 111.16 178.976 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -148.37 47.22 1.05 Allowed 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 121.703 0.763 . . . . 0.0 109.277 179.295 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -106.53 35.62 4.93 Favored Glycine 0 N--CA 1.449 -0.488 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 179.539 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 434' ' ' LYS . . . . . 0.437 ' HE3' ' HB2' ' A' ' 434' ' ' LYS . 20.5 ttmt 67.41 22.11 9.5 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 121.918 0.866 . . . . 0.0 109.475 -177.122 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 435' ' ' ASP . . . . . 0.671 ' HA ' ' HB2' ' A' ' 439' ' ' ASN . 7.5 p-10 -82.85 -136.28 0.04 OUTLIER 'General case' 0 C--O 1.236 0.38 0 CA-C-N 114.5 -1.227 . . . . 0.0 110.354 176.975 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 436' ' ' GLU . . . . . 0.428 ' HB2' ' O ' ' A' ' 435' ' ' ASP . 6.6 mm-40 70.06 -73.45 0.09 Allowed 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 122.95 0.5 . . . . 0.0 111.832 178.719 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 47.5 pttt -85.0 -52.91 5.64 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.068 -173.332 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -89.03 -56.53 3.25 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.12 0.486 . . . . 0.0 110.836 -177.355 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 439' ' ' ASN . . . . . 0.671 ' HB2' ' HA ' ' A' ' 435' ' ' ASP . 5.8 m-20 -88.13 120.28 29.33 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.988 179.172 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 11.6 t -90.85 -12.68 35.52 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.265 0.555 . . . . 0.0 110.612 -179.522 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 12.0 p -98.08 -69.57 0.75 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.082 -179.777 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . -171.54 -102.51 0.16 Allowed Glycine 0 N--CA 1.448 -0.566 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 179.627 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 9.6 t . . . . . 0 C--O 1.249 1.051 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 178.43 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.846 0 N-CA-C 112.28 -0.328 . . . . 0.0 112.28 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 7.3 p -94.45 -39.37 10.46 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.503 0.192 . . . . 0.0 110.922 179.106 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 373' ' ' LYS . . . . . 0.451 ' HB2' ' HE3' ' A' ' 373' ' ' LYS . 0.0 OUTLIER 54.18 -125.92 2.3 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.195 -177.206 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 374' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -165.8 166.72 17.52 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 176.754 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 375' ' ' GLN . . . . . . . . . . . . . 44.2 tp60 58.85 81.72 0.16 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.347 0.594 . . . . 0.0 110.277 -178.189 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -93.98 20.04 8.31 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.635 -173.296 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 377' ' ' THR . . . . . . . . . . . . . 3.9 p -55.63 -54.3 45.88 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.743 -178.966 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 378' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -65.57 -46.27 80.12 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.997 -178.059 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 58.2 m -60.49 -46.83 88.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.323 -178.495 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -65.95 -38.05 87.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.697 0.284 . . . . 0.0 110.741 179.772 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -63.63 -62.56 1.58 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.814 -178.955 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 382' ' ' ASN . . . . . 0.517 ' O ' HG13 ' A' ' 386' ' ' ILE . 4.2 p30 -65.29 -33.0 74.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.523 -172.034 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 383' ' ' LYS . . . . . 0.602 ' HB3' HD22 ' A' ' 416' ' ' LEU . 5.4 mptp? -67.25 -44.46 79.35 Favored 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.273 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -58.92 -45.23 90.85 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.757 175.814 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -60.21 -39.71 87.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.21 -179.5 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 386' ' ' ILE . . . . . 0.517 HG13 ' O ' ' A' ' 382' ' ' ASN . 78.2 mt -65.67 -44.58 93.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.253 0.549 . . . . 0.0 109.762 179.891 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 59.3 m -66.42 -40.45 89.57 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.448 -0.797 . . . . 0.0 110.507 178.639 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -79.58 -5.02 54.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.682 -179.321 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -75.7 -29.01 58.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.029 0.442 . . . . 0.0 110.022 171.015 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -85.04 -23.97 28.36 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.263 175.618 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 67.2 mttm 64.96 -91.24 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 114.629 -1.169 . . . . 0.0 111.866 173.998 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -129.63 14.49 5.96 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.926 0.393 . . . . 0.0 110.798 179.36 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -81.21 105.89 12.76 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.265 174.378 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 22.8 tm0? -62.55 -44.13 97.09 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 179.808 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -53.47 -51.9 61.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.277 -179.841 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 396' ' ' ALA . . . . . 0.417 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -65.82 -27.26 68.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.363 -179.298 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 27.6 t -80.63 -35.89 33.34 Favored 'General case' 0 CA--C 1.508 -0.653 0 CA-C-O 122.112 0.958 . . . . 0.0 108.499 -174.964 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 398' ' ' GLU . . . . . 0.505 ' O ' ' HB2' ' A' ' 401' ' ' LYS . 5.5 tp10 -58.74 -35.08 72.15 Favored 'General case' 0 N--CA 1.423 -1.784 0 CA-C-N 113.674 -1.603 . . . . 0.0 110.091 175.381 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -75.55 -37.03 60.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.604 175.398 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.71 ' HA ' ' HD3' ' A' ' 403' ' ' LYS . 97.5 mt -82.11 6.34 16.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.076 -179.536 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 401' ' ' LYS . . . . . 0.527 ' HA ' ' O ' ' A' ' 405' ' ' CYS . 9.4 tptm -46.18 -47.34 17.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.505 177.205 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -65.31 -17.32 64.42 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.663 -0.698 . . . . 0.0 112.065 -176.066 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 403' ' ' LYS . . . . . 0.71 ' HD3' ' HA ' ' A' ' 400' ' ' LEU . 3.5 mptp? -91.18 -7.53 51.17 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.841 0.353 . . . . 0.0 110.843 -173.933 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 404' ' ' GLY . . . . . 0.419 ' O ' HD12 ' A' ' 416' ' ' LEU . . . 114.14 1.05 23.82 Favored Glycine 0 N--CA 1.45 -0.403 0 N-CA-C 111.593 -0.603 . . . . 0.0 111.593 -178.804 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 405' ' ' CYS . . . . . 0.663 ' HB3' ' SG ' ' A' ' 414' ' ' CYS . 82.4 m -92.53 128.13 38.27 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.293 0.568 . . . . 0.0 111.74 -174.336 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 406' ' ' VAL . . . . . 0.478 ' CG1' ' HB3' ' A' ' 417' ' ' LYS . 12.5 p -137.36 138.86 44.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 175.536 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 407' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -70.45 129.56 39.58 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-O 121.102 0.477 . . . . 0.0 110.26 -178.071 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -112.13 111.01 21.61 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.467 -179.567 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 11.2 p -80.84 -1.89 45.06 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.685 -176.461 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -69.79 -44.83 69.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.268 0.556 . . . . 0.0 109.635 176.51 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 8.3 p -108.26 -5.68 16.7 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.401 177.511 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 7.9 t30 56.4 76.2 0.31 Allowed 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.118 -0.946 . . . . 0.0 110.52 -175.142 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -165.61 172.02 12.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.741 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 414' ' ' CYS . . . . . 0.663 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 51.1 t -93.39 117.18 29.77 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 169.745 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -128.26 153.41 46.99 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.775 0.321 . . . . 0.0 110.272 -175.122 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.602 HD22 ' HB3' ' A' ' 383' ' ' LYS . 27.2 tp -73.38 86.19 1.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 173.605 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 417' ' ' LYS . . . . . 0.521 ' HG2' ' HB ' ' A' ' 420' ' ' VAL . 0.6 OUTLIER -134.2 7.21 3.65 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.213 -176.562 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 418' ' ' LYS . . . . . 0.428 ' HB3' ' HE3' ' A' ' 418' ' ' LYS . 12.7 ttpp -55.98 -35.91 67.29 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-O 121.552 0.691 . . . . 0.0 110.212 176.852 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -78.35 -17.06 57.03 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 114.863 -1.062 . . . . 0.0 111.289 -174.981 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 420' ' ' VAL . . . . . 0.521 ' HB ' ' HG2' ' A' ' 417' ' ' LYS . 61.4 t -82.6 -40.64 16.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 172.011 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -59.92 -43.74 94.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.572 172.807 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 422' ' ' GLU . . . . . 0.541 ' O ' ' HB2' ' A' ' 426' ' ' LYS . 24.6 tt0 -67.39 -38.65 85.02 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.38 -1.282 . . . . 0.0 110.484 179.188 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 30.5 ttmt -56.89 -39.02 73.61 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.384 0.611 . . . . 0.0 110.452 178.48 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 424' ' ' LEU . . . . . 0.809 HD21 ' HG2' ' A' ' 432' ' ' GLU . 66.9 mt -72.83 -66.36 0.68 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.171 -0.922 . . . . 0.0 112.02 -176.985 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -101.88 32.5 3.4 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.203 0.525 . . . . 0.0 111.761 -172.155 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 426' ' ' LYS . . . . . 0.541 ' HB2' ' O ' ' A' ' 422' ' ' GLU . 55.4 tttm -58.8 -38.03 77.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.289 167.602 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -167.77 -42.79 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.57 -176.073 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 428' ' ' SER . . . . . 0.409 ' O ' ' HB2' ' A' ' 429' ' ' LYS . 13.2 t -177.31 -164.35 0.09 Allowed 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.709 177.759 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 429' ' ' LYS . . . . . 0.65 ' HB3' HG23 ' A' ' 431' ' ' THR . 32.9 mtmm 111.06 -69.17 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 126.441 1.896 . . . . 0.0 111.569 172.957 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 55.56 80.96 0.12 Allowed 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 121.404 0.621 . . . . 0.0 109.472 -169.796 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 431' ' ' THR . . . . . 0.65 HG23 ' HB3' ' A' ' 429' ' ' LYS . 15.2 p -115.71 2.87 13.78 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -170.523 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 432' ' ' GLU . . . . . 0.809 ' HG2' HD21 ' A' ' 424' ' ' LEU . 8.3 mm-40 -89.53 100.83 13.55 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.333 -0.547 . . . . 0.0 111.478 -172.035 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -100.75 35.73 4.65 Favored Glycine 0 N--CA 1.448 -0.542 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 175.163 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 25.9 tptp 72.72 -43.78 0.57 Allowed 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 124.322 1.049 . . . . 0.0 111.163 -177.707 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 58.2 29.37 17.87 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.506 0.504 . . . . 0.0 111.185 177.594 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -62.05 -73.02 0.11 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.815 178.499 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -150.31 12.45 0.73 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.077 174.71 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -105.75 7.71 32.61 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.173 -0.921 . . . . 0.0 112.144 -170.925 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -83.09 68.78 9.69 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.359 0.599 . . . . 0.0 110.003 179.517 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 5.1 m -89.97 -67.79 0.82 Allowed 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 174.322 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 29.6 m -111.49 -25.15 9.74 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.157 173.153 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . 145.61 -145.59 14.9 Favored Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.439 -0.801 . . . . 0.0 111.562 179.124 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.129 -0.939 . . . . 0.0 109.02 177.665 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.722 0 N-CA-C 112.433 -0.267 . . . . 0.0 112.433 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 6.6 m -109.41 42.86 1.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 110.573 -0.158 . . . . 0.0 110.573 -177.383 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm 69.86 -63.63 0.38 Allowed 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.429 0.692 . . . . 0.0 110.844 -176.556 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 374' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -102.13 159.75 15.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.455 -178.81 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 375' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 62.05 80.65 0.22 Allowed 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.637 0.732 . . . . 0.0 111.056 178.826 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -96.87 -1.14 46.59 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.875 179.422 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 377' ' ' THR . . . . . 0.542 ' O ' ' HG2' ' A' ' 381' ' ' GLU . 1.6 p -76.39 49.26 0.58 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.988 -1.005 . . . . 0.0 111.086 178.58 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 378' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -50.68 -33.9 24.48 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.289 -174.415 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 12.4 p -58.41 -53.51 57.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.064 0.459 . . . . 0.0 110.747 178.677 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -70.52 -39.01 74.32 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.668 178.977 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 381' ' ' GLU . . . . . 0.542 ' HG2' ' O ' ' A' ' 377' ' ' THR . 61.2 mm-40 -58.16 -55.25 37.44 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.244 -177.069 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 382' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -70.83 -34.32 71.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.88 -175.739 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 383' ' ' LYS . . . . . 0.409 ' HE3' ' HB3' ' A' ' 403' ' ' LYS . 12.9 mptt -63.99 -52.27 60.37 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 178.839 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -55.7 -43.05 76.08 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.975 -1.011 . . . . 0.0 110.577 178.362 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -66.25 -43.29 86.93 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.105 -178.219 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 386' ' ' ILE . . . . . . . . . . . . . 83.5 mt -69.58 -41.36 80.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.269 -178.935 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 77.7 m -58.77 -45.0 90.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.184 0.516 . . . . 0.0 109.783 174.884 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.95 -25.06 60.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.416 -177.813 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -72.91 -11.52 60.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.036 176.033 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -85.21 -15.62 43.01 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.225 -0.658 . . . . 0.0 109.225 176.775 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 66.6 mttm 59.75 -139.99 0.65 Allowed 'General case' 0 C--O 1.234 0.276 0 CA-C-N 114.806 -1.088 . . . . 0.0 111.455 174.253 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -88.81 6.33 39.45 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.764 179.938 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -75.39 99.21 4.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.044 0.45 . . . . 0.0 110.025 178.253 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -65.53 -44.87 85.55 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.915 -176.705 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -61.62 -42.31 98.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.839 0.352 . . . . 0.0 110.18 -178.631 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 396' ' ' ALA . . . . . 0.476 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -66.26 -40.03 89.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.76 179.043 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 38.9 t -62.45 -48.12 81.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.16 0.505 . . . . 0.0 110.282 177.745 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -63.94 -20.07 65.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.349 -179.429 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -71.9 -62.34 1.46 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.98 0.419 . . . . 0.0 110.229 174.486 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 1.9 pp -81.48 11.62 4.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.601 -176.551 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 401' ' ' LYS . . . . . 0.473 ' HG3' ' O ' ' A' ' 405' ' ' CYS . 65.8 tttt -54.62 -20.62 8.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.462 176.603 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -46.86 -40.62 14.29 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.354 173.039 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 403' ' ' LYS . . . . . 0.409 ' HB3' ' HE3' ' A' ' 383' ' ' LYS . 54.2 mttm -75.6 -16.09 60.27 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.827 -175.452 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 109.77 40.17 1.48 Allowed Glycine 0 N--CA 1.445 -0.745 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.837 -177.214 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 405' ' ' CYS . . . . . 0.572 ' HB3' ' SG ' ' A' ' 414' ' ' CYS . 72.1 m -111.54 104.77 13.2 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 -177.112 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 60.3 t -104.55 119.95 54.22 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.697 -178.678 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 407' ' ' PHE . . . . . 0.42 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 33.6 t80 -69.05 121.09 15.97 Favored 'General case' 0 N--CA 1.436 -1.134 0 C-N-CA 120.245 -0.582 . . . . 0.0 109.617 175.94 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -100.69 124.7 46.67 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 178.995 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 1.6 p -80.88 -29.76 35.63 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.25 0.548 . . . . 0.0 110.995 -179.719 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -71.67 -48.66 46.09 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.757 179.042 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 12.6 t -73.75 -28.84 61.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.525 0.679 . . . . 0.0 109.213 173.59 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 5.7 t30 68.43 50.83 0.69 Allowed 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 114.414 -1.266 . . . . 0.0 111.004 174.113 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -173.12 164.76 4.88 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.968 175.107 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 414' ' ' CYS . . . . . 0.572 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 42.0 t -81.38 111.78 18.06 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.966 0.412 . . . . 0.0 110.063 179.618 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -115.04 169.93 8.73 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.727 -177.692 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.794 HD22 ' HG2' ' A' ' 418' ' ' LYS . 0.9 OUTLIER -73.31 140.04 46.49 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 171.168 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 417' ' ' LYS . . . . . 0.521 ' O ' ' HD3' ' A' ' 417' ' ' LYS . 14.2 tmtt? -55.73 -8.98 0.46 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.189 0.596 . . . . 0.0 112.121 -175.674 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 418' ' ' LYS . . . . . 0.794 ' HG2' HD22 ' A' ' 416' ' ' LEU . 9.2 mmpt? -59.76 -18.36 42.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.714 174.731 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -79.53 -45.88 18.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.315 -0.402 . . . . 0.0 109.94 -178.275 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 87.5 t -59.56 -42.58 88.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.772 173.633 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -60.98 -44.63 97.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.812 177.509 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -67.17 -42.6 84.01 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.725 -178.027 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -62.49 -41.18 98.63 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.068 0.461 . . . . 0.0 110.391 177.764 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 58.6 tp -67.57 -27.38 66.88 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.451 178.101 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -76.18 -43.45 42.47 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.57 178.873 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -77.08 -20.89 55.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.961 0.41 . . . . 0.0 110.948 -178.791 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -140.19 77.41 1.61 Allowed 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 179.837 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 7.5 m -58.57 94.88 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.962 178.067 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 44.2 mtpt -99.14 41.63 1.14 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.274 0.559 . . . . 0.0 111.832 -175.861 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -119.26 49.26 1.36 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.821 0.82 . . . . 0.0 109.41 173.419 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 431' ' ' THR . . . . . . . . . . . . . 7.0 m -86.94 67.15 9.72 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 114.594 -1.184 . . . . 0.0 109.798 -175.621 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -60.52 171.32 1.13 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 114.673 -1.148 . . . . 0.0 111.34 177.6 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 127.13 -28.33 4.6 Favored Glycine 0 N--CA 1.448 -0.506 0 N-CA-C 110.681 -0.967 . . . . 0.0 110.681 -173.145 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 434' ' ' LYS . . . . . 0.533 ' HG3' ' HG2' ' A' ' 436' ' ' GLU . 21.0 ptmt -103.22 171.49 7.34 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 174.433 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -103.45 85.41 2.46 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 120.976 0.417 . . . . 0.0 110.497 -177.933 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 436' ' ' GLU . . . . . 0.533 ' HG2' ' HG3' ' A' ' 434' ' ' LYS . 5.7 mm-40 -81.99 -75.73 0.28 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.892 -178.965 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -106.96 -38.99 5.89 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.749 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -73.81 150.48 41.02 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.928 175.92 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 63.32 64.99 0.79 Allowed 'General case' 0 C--N 1.327 -0.37 0 O-C-N 123.809 0.693 . . . . 0.0 110.757 -174.079 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 9.9 t -85.14 6.01 27.5 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.804 0.811 . . . . 0.0 108.939 174.559 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 5.9 p -84.39 1.54 44.77 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 114.799 -1.091 . . . . 0.0 110.978 178.377 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . -176.48 178.93 47.75 Favored Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 178.328 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 70.1 m . . . . . 0 C--O 1.249 1.07 0 CA-C-O 117.795 -1.098 . . . . 0.0 111.861 179.445 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.83 0 N-CA-C 111.838 -0.505 . . . . 0.0 111.838 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 51.0 m -89.34 115.07 26.53 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.779 0.29 . . . . 0.0 111.255 -177.669 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 51.1 tttp 74.17 -51.07 0.69 Allowed 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.544 0.737 . . . . 0.0 111.31 176.491 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 374' ' ' LYS . . . . . . . . . . . . . 47.8 mttp -98.71 92.48 5.6 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.804 0.335 . . . . 0.0 110.55 -179.478 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 375' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -113.22 -59.28 2.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.133 175.695 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -61.93 117.44 5.93 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.272 179.963 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 377' ' ' THR . . . . . . . . . . . . . 14.9 t -101.13 -4.7 26.8 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.89 177.888 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 378' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -49.35 -48.18 46.84 Favored 'General case' 0 N--CA 1.461 0.094 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.711 -179.34 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 12.5 m -48.3 -60.01 2.99 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 123.715 0.634 . . . . 0.0 111.781 -174.305 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -69.96 -36.44 75.23 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.935 0.398 . . . . 0.0 110.819 -178.591 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -65.68 -55.83 15.34 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.315 -174.71 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 382' ' ' ASN . . . . . 0.496 ' O ' HG13 ' A' ' 386' ' ' ILE . 1.5 p30 -73.64 -40.41 63.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.253 -173.222 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -59.41 -50.81 72.52 Favored 'General case' 0 CA--C 1.52 -0.211 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.318 -179.791 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 384' ' ' GLU . . . . . 0.428 ' HG3' HD12 ' A' ' 416' ' ' LEU . 22.7 mt-10 -60.1 -44.24 94.97 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.307 177.693 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 8.2 tmtm? -59.44 -34.99 73.19 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.725 0.297 . . . . 0.0 111.363 -178.26 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 386' ' ' ILE . . . . . 0.496 HG13 ' O ' ' A' ' 382' ' ' ASN . 88.1 mt -65.77 -41.97 91.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.26 0.552 . . . . 0.0 109.545 178.29 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 14.3 m -70.74 -43.57 68.59 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.311 -0.858 . . . . 0.0 110.547 178.211 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -64.45 -26.66 68.54 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.861 -0.608 . . . . 0.0 111.103 -176.613 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -67.18 -23.9 65.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.733 178.738 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -79.38 -32.97 43.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.033 0.444 . . . . 0.0 110.27 -177.918 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm 57.45 -109.77 0.5 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.817 176.444 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -86.73 -18.36 31.34 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.291 -176.784 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -77.31 98.64 5.26 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.596 0.712 . . . . 0.0 111.782 -172.741 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -58.92 -36.69 75.14 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 114.5 -1.227 . . . . 0.0 110.573 177.011 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -66.04 -45.69 80.54 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.153 -178.683 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 396' ' ' ALA . . . . . 0.547 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -62.49 -39.17 92.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.265 178.976 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 49.1 t -62.56 -48.34 79.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.357 178.948 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 398' ' ' GLU . . . . . 0.606 ' HA ' ' HB2' ' A' ' 401' ' ' LYS . 7.2 mm-40 -65.99 -21.25 66.39 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.69 -179.186 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -70.84 -53.35 15.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.083 0.468 . . . . 0.0 110.539 175.505 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 1.3 pp -90.86 12.2 20.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.348 0.594 . . . . 0.0 110.81 -179.014 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 401' ' ' LYS . . . . . 0.606 ' HB2' ' HA ' ' A' ' 398' ' ' GLU . 3.3 tttp -53.19 -37.33 61.85 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.935 -1.03 . . . . 0.0 111.117 178.454 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -57.75 -28.77 64.23 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.51 -178.333 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 57.4 mttm -80.66 -2.18 45.55 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.009 -173.833 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 404' ' ' GLY . . . . . 0.993 ' HA2' ' HE2' ' A' ' 417' ' ' LYS . . . 114.75 29.22 2.7 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.987 176.795 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 405' ' ' CYS . . . . . 0.538 ' O ' ' HG2' ' A' ' 401' ' ' LYS . 95.1 m -113.56 148.49 36.02 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.718 0.294 . . . . 0.0 111.165 -176.934 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 406' ' ' VAL . . . . . 0.503 ' HB ' ' HA ' ' A' ' 417' ' ' LYS . 42.1 t -145.48 130.46 12.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.293 174.634 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 407' ' ' PHE . . . . . 0.537 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 28.2 t80 -77.11 124.09 27.32 Favored 'General case' 0 N--CA 1.441 -0.889 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 179.429 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -104.86 106.34 16.79 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 -178.651 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 7.2 p -70.55 -12.72 61.75 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.368 -177.933 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -67.18 -56.39 10.11 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.104 178.819 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 8.6 p -90.96 -10.89 40.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.893 179.648 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 6.0 t30 63.21 70.2 0.55 Allowed 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.41 -0.813 . . . . 0.0 110.502 -178.648 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 5.3 ptmm? -178.1 152.28 0.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.698 177.159 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 414' ' ' CYS . . . . . 0.537 ' HA ' ' HA ' ' A' ' 407' ' ' PHE . 49.9 t -82.59 118.81 23.57 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.084 177.012 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -121.92 176.42 5.79 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.733 -177.836 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.428 HD12 ' HG3' ' A' ' 384' ' ' GLU . 1.0 OUTLIER -60.72 135.42 57.76 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 174.695 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 417' ' ' LYS . . . . . 0.993 ' HE2' ' HA2' ' A' ' 404' ' ' GLY . 0.1 OUTLIER -44.33 112.15 0.38 Allowed 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.577 0.703 . . . . 0.0 112.665 -173.522 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -51.9 -61.42 2.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.046 -1.434 . . . . 0.0 112.937 -174.974 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -61.07 -57.37 12.82 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.295 -0.866 . . . . 0.0 112.799 -170.902 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 420' ' ' VAL . . . . . 0.543 ' HB ' ' HD3' ' A' ' 417' ' ' LYS . 57.1 t -63.89 -47.04 92.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.642 -174.096 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 421' ' ' LYS . . . . . 0.484 ' HD3' ' HG2' ' A' ' 425' ' ' GLU . 16.2 tppt? -64.9 -34.05 77.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.613 0.244 . . . . 0.0 110.865 -178.501 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -57.54 -55.79 30.3 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.281 0.563 . . . . 0.0 110.464 176.846 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -84.76 0.79 49.4 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.484 -174.333 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 41.4 tp -89.01 -41.85 12.11 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 176.074 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 425' ' ' GLU . . . . . 0.484 ' HG2' ' HD3' ' A' ' 421' ' ' LYS . 21.7 mm-40 -79.82 -49.83 11.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.112 178.378 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -95.31 38.98 1.12 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.009 -177.46 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -68.89 -41.33 78.44 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 174.638 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 20.4 m 57.36 40.3 27.66 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 115.294 -0.866 . . . . 0.0 112.273 171.872 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -94.77 -35.2 12.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.794 0.33 . . . . 0.0 111.147 -179.204 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -83.9 8.81 13.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.002 0.429 . . . . 0.0 111.171 -174.368 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 431' ' ' THR . . . . . . . . . . . . . 11.1 t -106.96 -5.83 17.93 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.621 178.45 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -132.54 0.6 3.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.943 0.878 . . . . 0.0 109.82 175.879 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -99.22 59.03 0.84 Allowed Glycine 0 N--CA 1.446 -0.668 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.066 176.346 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -107.39 105.11 14.89 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.97 0.414 . . . . 0.0 110.334 -176.78 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 435' ' ' ASP . . . . . 0.472 ' HB2' ' HB3' ' A' ' 439' ' ' ASN . 5.2 p-10 -105.58 -11.57 16.3 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.997 178.231 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 436' ' ' GLU . . . . . 0.469 ' O ' ' HB3' ' A' ' 437' ' ' LYS . 5.2 mm-40 71.14 -64.7 0.37 Allowed 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.839 -178.123 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 437' ' ' LYS . . . . . 0.469 ' HB3' ' O ' ' A' ' 436' ' ' GLU . 19.5 pttp 173.64 -19.1 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.704 0.628 . . . . 0.0 110.981 176.077 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -122.86 2.55 9.42 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.605 0.595 . . . . 0.0 112.605 -175.148 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 439' ' ' ASN . . . . . 0.472 ' HB3' ' HB2' ' A' ' 435' ' ' ASP . 61.9 t30 -72.31 104.92 3.87 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.586 -0.446 . . . . 0.0 109.798 -179.838 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 18.9 m -76.27 -69.65 0.49 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.768 -176.858 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 12.1 p -121.24 101.61 7.76 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.127 0.489 . . . . 0.0 110.31 178.788 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . -130.36 178.33 17.66 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.509 -0.853 . . . . 0.0 112.848 -176.251 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 42.8 t . . . . . 0 C--O 1.246 0.871 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 -177.925 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.697 0 N-CA-C 111.833 -0.507 . . . . 0.0 111.833 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 13.6 t -111.84 -169.18 1.42 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.672 0.272 . . . . 0.0 110.325 -179.831 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -76.42 118.75 19.42 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.338 -179.012 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 374' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -104.38 118.31 36.3 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.527 179.521 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 375' ' ' GLN . . . . . . . . . . . . . 48.3 tp60 -94.64 135.41 36.15 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.375 178.432 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -72.05 117.71 14.01 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.373 178.406 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 377' ' ' THR . . . . . . . . . . . . . 17.6 p -121.85 153.2 38.68 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -172.654 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 378' ' ' GLU . . . . . 0.592 ' O ' ' HB3' ' A' ' 382' ' ' ASN . 8.3 tp10 -44.85 -64.67 0.65 Allowed 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 123.759 0.824 . . . . 0.0 112.402 -179.259 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 379' ' ' SER . . . . . 0.589 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 5.2 p -60.05 -62.22 2.03 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -172.321 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -60.85 -44.25 97.23 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -174.262 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -80.23 -48.53 12.94 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.502 -0.479 . . . . 0.0 111.133 -171.196 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 382' ' ' ASN . . . . . 0.592 ' HB3' ' O ' ' A' ' 378' ' ' GLU . 0.0 OUTLIER -66.45 -31.22 71.83 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -177.388 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 383' ' ' LYS . . . . . 0.589 ' HB2' ' O ' ' A' ' 379' ' ' SER . 11.6 mptt -66.74 -43.08 85.09 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 176.586 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 384' ' ' GLU . . . . . 0.887 ' HG2' ' HB2' ' A' ' 416' ' ' LEU . 48.9 mt-10 -66.08 -39.18 89.82 Favored 'General case' 0 C--O 1.217 -0.633 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.308 175.146 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 50.8 tptt -59.78 -48.43 81.72 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 123.065 0.228 . . . . 0.0 111.462 -178.471 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 386' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 382' ' ' ASN . 80.8 mt -58.46 -45.57 89.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 121.204 0.526 . . . . 0.0 110.281 178.529 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 387' ' ' CYS . . . . . 0.49 ' SG ' ' HB2' ' A' ' 414' ' ' CYS . 18.7 t -65.76 -47.5 75.0 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.537 179.062 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -67.14 -21.66 65.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.558 -177.55 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -64.44 -19.02 65.28 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -179.47 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 390' ' ' ALA . . . . . 0.707 ' HB3' ' SG ' ' A' ' 414' ' ' CYS . . . -84.7 -18.06 36.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.415 0.626 . . . . 0.0 109.596 178.549 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 391' ' ' LYS . . . . . 0.567 ' O ' ' HA ' ' A' ' 413' ' ' LYS . 93.4 mttt 58.63 -114.75 0.77 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 114.732 -1.122 . . . . 0.0 112.323 173.722 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -98.5 0.69 45.61 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 -172.505 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -89.83 93.37 9.41 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 178.795 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 394' ' ' GLN . . . . . 0.544 ' O ' ' HG2' ' A' ' 398' ' ' GLU . 60.5 tt0 -55.63 -39.12 70.41 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.98 -175.681 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -57.38 -40.58 78.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.736 0.303 . . . . 0.0 110.909 -179.209 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 396' ' ' ALA . . . . . 0.474 ' HB3' ' HB1' ' A' ' 390' ' ' ALA . . . -66.66 -38.68 87.34 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.419 -179.218 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 397' ' ' CYS . . . . . 0.627 ' SG ' ' HD2' ' A' ' 407' ' ' PHE . 2.3 m -63.5 -50.74 68.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.715 0.769 . . . . 0.0 109.704 177.901 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 398' ' ' GLU . . . . . 0.601 ' HA ' ' HD3' ' A' ' 401' ' ' LYS . 14.5 mm-40 -67.54 -17.66 64.74 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.037 -178.244 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -68.91 -51.74 36.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.134 0.492 . . . . 0.0 110.261 173.792 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.471 ' HB2' ' HD2' ' A' ' 403' ' ' LYS . 1.5 pp -94.11 18.61 10.48 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.337 178.847 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 401' ' ' LYS . . . . . 0.601 ' HD3' ' HA ' ' A' ' 398' ' ' GLU . 23.7 tptp -39.42 -52.24 2.09 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 114.395 -1.275 . . . . 0.0 113.184 176.708 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -72.0 -1.91 16.31 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 121.042 0.449 . . . . 0.0 112.151 -170.772 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 403' ' ' LYS . . . . . 0.471 ' HD2' ' HB2' ' A' ' 400' ' ' LEU . 96.7 mttt -85.59 3.71 39.46 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.078 0.466 . . . . 0.0 109.952 175.882 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 101.66 32.25 5.18 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.557 -179.694 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 42.9 t -119.51 154.93 33.07 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.785 0.326 . . . . 0.0 110.791 -173.864 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 3.5 p -163.31 127.54 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 175.905 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 407' ' ' PHE . . . . . 0.886 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 50.7 t80 -60.62 124.14 19.5 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 121.431 0.634 . . . . 0.0 110.748 -179.471 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 408' ' ' ASN . . . . . 0.621 ' HB2' ' HB2' ' A' ' 415' ' ' GLU . 34.7 t30 -102.73 95.87 6.48 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.153 -0.931 . . . . 0.0 109.407 -178.464 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 2.8 p -61.7 -25.45 67.42 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.536 -176.561 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -72.06 -20.58 61.65 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.85 -177.876 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 22.9 t -114.5 -7.17 12.84 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.925 176.753 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 67.2 t30 64.97 28.58 12.54 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.505 -179.85 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 413' ' ' LYS . . . . . 0.567 ' HA ' ' O ' ' A' ' 391' ' ' LYS . 23.3 pttp -153.09 153.58 33.13 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.7 176.272 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 414' ' ' CYS . . . . . 0.886 ' HA ' ' HA ' ' A' ' 407' ' ' PHE . 0.0 OUTLIER -65.33 134.46 53.6 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 178.469 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 415' ' ' GLU . . . . . 0.621 ' HB2' ' HB2' ' A' ' 408' ' ' ASN . 2.3 tp10 -119.84 152.43 37.33 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.294 -177.081 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.887 ' HB2' ' HG2' ' A' ' 384' ' ' GLU . 2.3 tt -59.78 125.88 25.39 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 174.136 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 57.3 tttp -55.24 110.77 0.73 Allowed 'General case' 0 N--CA 1.446 -0.625 0 CA-C-O 120.933 0.397 . . . . 0.0 109.998 179.748 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -62.06 -20.81 64.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.669 -173.075 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -63.48 -38.63 91.88 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.579 174.364 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 50.2 t -80.15 -35.81 16.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.935 -176.556 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -62.37 -49.94 73.56 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-O 121.755 0.788 . . . . 0.0 109.719 178.582 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -62.14 -45.81 91.8 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.511 -1.222 . . . . 0.0 110.398 176.815 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 29.1 ttpp -61.21 -35.71 77.93 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.888 178.902 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 65.2 tp -58.59 -49.68 76.57 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.896 -179.027 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -75.98 -10.63 59.58 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 120.253 -0.579 . . . . 0.0 111.116 -179.424 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -86.82 -58.52 2.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.94 0.4 . . . . 0.0 111.015 175.338 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -67.68 -27.95 67.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.881 -0.599 . . . . 0.0 112.452 -170.383 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 6.1 p -64.43 -17.93 64.26 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -176.26 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -82.66 -28.39 30.69 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.987 0.422 . . . . 0.0 110.925 -179.627 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -94.47 81.78 3.97 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.304 0.573 . . . . 0.0 110.811 -176.515 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 431' ' ' THR . . . . . . . . . . . . . 8.9 t -119.17 -28.77 5.38 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.023 174.647 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -88.93 157.15 18.5 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 176.596 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 119.3 28.02 2.07 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 121.016 -0.611 . . . . 0.0 111.879 -177.763 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -139.08 118.72 13.04 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.82 0.343 . . . . 0.0 110.731 -178.076 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -76.68 112.86 13.69 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 172.161 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.51 -30.37 12.2 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -172.123 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -85.98 -73.72 0.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.841 0.353 . . . . 0.0 110.148 176.348 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . 173.16 51.45 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 106.875 -1.528 . . . . 0.0 106.875 -177.0 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 39.7 m-20 -88.07 145.58 25.89 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.593 -1.185 . . . . 0.0 112.103 -163.641 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -133.65 4.88 3.65 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.66 -1.155 . . . . 0.0 109.113 171.634 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 2.6 p -109.68 3.49 21.02 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.936 -1.029 . . . . 0.0 111.825 -175.322 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . 109.23 -136.84 13.83 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.509 -0.853 . . . . 0.0 112.27 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 26.7 t . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.525 -0.75 . . . . 0.0 109.23 -178.517 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.95 0 N-CA-C 112.403 -0.279 . . . . 0.0 112.403 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 66.7 m 58.85 86.41 0.09 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.303 0.573 . . . . 0.0 111.387 -179.886 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -75.0 147.96 40.31 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.002 -178.151 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 374' ' ' LYS . . . . . 0.471 ' O ' ' HB2' ' A' ' 375' ' ' GLN . 68.3 mttm 63.03 -85.28 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.329 0 O-C-N 123.808 0.692 . . . . 0.0 109.765 -170.01 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 375' ' ' GLN . . . . . 0.68 ' HG2' HG22 ' A' ' 377' ' ' THR . 32.7 tt0 170.62 -68.45 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 178.324 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 53.78 33.83 17.79 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 114.918 -1.037 . . . . 0.0 112.336 170.669 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 377' ' ' THR . . . . . 0.68 HG22 ' HG2' ' A' ' 375' ' ' GLN . 9.9 t -117.86 159.65 22.74 Favored 'General case' 0 C--O 1.241 0.653 0 CA-C-O 120.872 0.368 . . . . 0.0 110.828 -177.658 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 378' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 63.85 168.54 0.16 Allowed 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.679 179.736 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 379' ' ' SER . . . . . 0.8 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 87.8 p -61.71 -27.52 68.76 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-N 116.822 -0.172 . . . . 0.0 111.423 -172.621 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -63.6 -57.2 10.86 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.609 0.242 . . . . 0.0 111.349 179.914 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -80.12 -37.78 32.89 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.233 -0.587 . . . . 0.0 111.103 -170.629 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 382' ' ' ASN . . . . . 0.477 ' OD1' ' HA ' ' A' ' 379' ' ' SER . 0.4 OUTLIER -75.37 -26.31 58.4 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.311 -0.556 . . . . 0.0 110.849 -176.467 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 383' ' ' LYS . . . . . 0.8 ' HB2' ' O ' ' A' ' 379' ' ' SER . 0.1 OUTLIER -67.89 -53.03 29.71 Favored 'General case' 0 CA--C 1.51 -0.587 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 174.959 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -53.26 -43.07 67.12 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.115 -0.948 . . . . 0.0 111.127 -179.831 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 385' ' ' LYS . . . . . 0.409 ' HD3' ' O ' ' A' ' 385' ' ' LYS . 1.6 tmtp? -61.23 -48.39 81.72 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.025 179.301 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 386' ' ' ILE . . . . . . . . . . . . . 75.5 mt -64.9 -40.59 89.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.31 -178.437 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 387' ' ' CYS . . . . . 0.474 ' O ' ' HB3' ' A' ' 414' ' ' CYS . 65.0 m -59.55 -45.44 91.82 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.001 175.42 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -74.17 -18.23 60.81 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.076 -177.712 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -73.31 -14.83 61.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.164 0.507 . . . . 0.0 110.373 174.712 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 390' ' ' ALA . . . . . 0.566 ' HB2' HD21 ' A' ' 400' ' ' LEU . . . -87.1 -27.38 23.15 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 175.215 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp 61.89 -150.9 0.38 Allowed 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.612 178.029 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 392' ' ' ASP . . . . . 0.577 ' HA ' ' HA ' ' A' ' 413' ' ' LYS . 4.3 p30 -79.32 4.69 14.46 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.845 0.355 . . . . 0.0 111.176 -178.595 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -72.71 107.85 5.39 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 175.481 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.72 -39.03 80.63 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.272 -176.294 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -60.61 -43.46 97.43 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.712 -0.222 . . . . 0.0 110.494 178.517 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 396' ' ' ALA . . . . . 0.523 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -61.42 -38.4 86.97 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.94 0.4 . . . . 0.0 110.381 177.892 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 15.3 t -66.38 -43.61 85.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.016 177.736 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -52.88 -42.0 64.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.247 174.759 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -59.52 -47.15 86.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 -179.113 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.566 HD21 ' HB2' ' A' ' 390' ' ' ALA . 1.4 pp -103.44 19.75 19.14 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.767 -175.64 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 401' ' ' LYS . . . . . 0.67 ' HD3' ' O ' ' A' ' 405' ' ' CYS . 4.4 tppp? -57.23 -37.99 73.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.96 177.049 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -78.08 4.62 11.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.445 -178.464 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 54.5 mttp -102.14 8.68 40.63 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.995 0.426 . . . . 0.0 110.635 177.487 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 98.21 5.82 57.01 Favored Glycine 0 N--CA 1.451 -0.363 0 CA-C-N 115.767 -0.651 . . . . 0.0 113.025 175.586 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 405' ' ' CYS . . . . . 0.677 ' HB3' ' SG ' ' A' ' 414' ' ' CYS . 91.7 m -91.05 137.34 32.44 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.832 0.349 . . . . 0.0 110.981 -179.208 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 406' ' ' VAL . . . . . 0.476 ' CG2' ' HB2' ' A' ' 417' ' ' LYS . 97.4 t -129.46 135.02 62.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.534 179.865 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 407' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -70.74 130.6 42.17 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.111 0.482 . . . . 0.0 110.764 -178.764 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 52.6 t-20 -103.14 123.56 46.92 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.116 178.575 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 11.9 p -81.43 -36.86 28.95 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.858 -177.51 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -71.99 -45.03 62.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.698 -178.405 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 16.2 m -81.03 -24.6 37.78 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.267 177.457 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 54.9 t30 64.52 71.86 0.46 Allowed 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.714 0.769 . . . . 0.0 110.058 177.469 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 413' ' ' LYS . . . . . 0.577 ' HA ' ' HA ' ' A' ' 392' ' ' ASP . 17.2 ptpt 177.63 158.76 0.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.671 -1.15 . . . . 0.0 108.864 -176.74 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 414' ' ' CYS . . . . . 0.677 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 11.4 t -77.04 125.71 29.78 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 172.27 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -136.61 153.6 50.9 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.819 0.342 . . . . 0.0 111.059 -172.007 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.54 HD13 ' HB3' ' A' ' 383' ' ' LYS . 67.7 tp -68.39 119.15 12.43 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 174.53 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 417' ' ' LYS . . . . . 0.476 ' HB2' ' CG2' ' A' ' 406' ' ' VAL . 21.0 tptp -62.16 101.0 0.19 Allowed 'General case' 0 C--O 1.236 0.382 0 O-C-N 123.387 0.429 . . . . 0.0 110.367 -176.366 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 418' ' ' LYS . . . . . 0.496 ' C ' ' HD2' ' A' ' 418' ' ' LYS . 1.2 tmmt? -56.18 -47.65 77.89 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.794 -175.09 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -56.9 -34.87 68.35 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.691 -173.058 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 46.4 t -79.16 -42.44 23.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.552 -178.644 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 421' ' ' LYS . . . . . 0.419 ' HD3' ' HA ' ' A' ' 421' ' ' LYS . 7.2 tppt? -71.48 -40.25 70.36 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.126 0.489 . . . . 0.0 110.403 -178.207 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -58.68 -50.31 74.34 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.787 178.228 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -82.6 -0.4 46.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.858 0.361 . . . . 0.0 111.664 -178.388 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 53.6 tp -87.14 -47.96 8.45 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 169.374 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -70.92 -45.94 63.37 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.108 -179.63 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 25.6 ttmt -94.3 141.46 28.54 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.67 -174.626 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 427' ' ' GLU . . . . . 0.427 ' C ' ' H ' ' A' ' 429' ' ' LYS . 12.1 pt-20 -81.56 8.26 10.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.879 -176.561 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 21.4 m -76.23 24.62 0.13 Allowed 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 121.155 0.503 . . . . 0.0 111.213 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 429' ' ' LYS . . . . . 0.427 ' H ' ' C ' ' A' ' 427' ' ' GLU . 14.7 ptmt -93.03 -15.21 26.41 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.804 179.612 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -86.49 93.24 9.1 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.922 179.659 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 431' ' ' THR . . . . . . . . . . . . . 5.8 m 52.74 81.19 0.09 Allowed 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.952 -177.431 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -62.1 103.87 0.42 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.688 0.756 . . . . 0.0 112.021 -172.08 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -97.81 70.28 0.7 Allowed Glycine 0 N--CA 1.444 -0.778 0 N-CA-C 110.323 -1.111 . . . . 0.0 110.323 174.374 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 434' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 435' ' ' ASP . 18.8 pttp -127.55 166.46 17.97 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.818 0.342 . . . . 0.0 110.758 -173.258 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 435' ' ' ASP . . . . . 0.407 ' O ' ' HG3' ' A' ' 434' ' ' LYS . 3.5 p30 -82.89 178.39 8.19 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 168.075 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -85.84 -78.42 0.27 Allowed 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 119.706 -0.798 . . . . 0.0 109.84 178.966 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 31.0 mtpp -124.9 4.42 8.05 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 170.398 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -179.16 148.42 0.37 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 113.904 -1.498 . . . . 0.0 108.079 -178.547 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 439' ' ' ASN . . . . . 0.402 ' HB2' ' HB3' ' A' ' 435' ' ' ASP . 26.7 t-20 -102.36 -31.64 10.4 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.303 0.573 . . . . 0.0 109.769 177.944 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 16.9 p -64.93 -53.12 51.45 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.745 175.839 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 41.1 p 50.0 90.08 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.338 -0.846 . . . . 0.0 112.056 -179.999 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . 122.2 -52.66 0.75 Allowed Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.898 -0.668 . . . . 0.0 111.829 178.929 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 22.8 t . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.357 -0.83 . . . . 0.0 109.348 178.819 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.691 0 N-CA-C 111.775 -0.53 . . . . 0.0 111.775 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 21.3 t -164.96 -172.27 2.52 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 -179.727 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -72.38 -14.1 61.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.288 0.566 . . . . 0.0 110.186 179.448 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 374' ' ' LYS . . . . . 0.494 ' O ' ' HB2' ' A' ' 375' ' ' GLN . 63.3 tttp -118.54 119.43 34.5 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.286 -0.87 . . . . 0.0 108.983 176.815 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 375' ' ' GLN . . . . . 0.494 ' HB2' ' O ' ' A' ' 374' ' ' LYS . 72.6 mm-40 73.24 150.2 0.1 Allowed 'General case' 0 N--CA 1.469 0.481 0 O-C-N 123.784 0.677 . . . . 0.0 111.194 -176.493 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 73.12 -15.54 0.52 Allowed 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.825 0.85 . . . . 0.0 110.98 -179.125 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 377' ' ' THR . . . . . 0.445 ' H ' ' C ' ' A' ' 375' ' ' GLN . 0.8 OUTLIER -98.91 -3.08 36.02 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.727 176.329 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 378' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.79 -24.97 67.97 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.601 -177.419 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 379' ' ' SER . . . . . 0.444 ' HA ' ' ND2' ' A' ' 382' ' ' ASN . 19.8 m -59.9 -42.36 93.66 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.282 176.373 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 380' ' ' ALA . . . . . 0.486 ' HB1' ' HD3' ' A' ' 418' ' ' LYS . . . -75.69 -35.07 60.42 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.292 177.391 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -66.51 -46.25 76.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.778 -178.842 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 382' ' ' ASN . . . . . 0.528 ' O ' HG13 ' A' ' 386' ' ' ILE . 4.0 p30 -72.9 -34.52 66.69 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.607 -177.426 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 383' ' ' LYS . . . . . 0.444 ' HB3' HD13 ' A' ' 416' ' ' LEU . 1.4 mptm? -63.96 -44.68 92.04 Favored 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 177.367 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -53.28 -43.31 67.39 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.732 -1.122 . . . . 0.0 110.138 175.62 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -68.19 -35.61 78.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.299 -179.811 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 386' ' ' ILE . . . . . 0.528 HG13 ' O ' ' A' ' 382' ' ' ASN . 82.4 mt -64.32 -43.44 97.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.381 0.61 . . . . 0.0 109.565 179.419 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 22.0 m -63.21 -39.47 94.71 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.231 176.88 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 388' ' ' ASN . . . . . 0.432 ' O ' ' HG3' ' A' ' 391' ' ' LYS . 6.4 m-20 -70.31 -19.52 63.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.384 179.446 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -72.06 -21.83 61.47 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.757 0.313 . . . . 0.0 111.242 175.06 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -91.66 -41.08 10.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.915 0.388 . . . . 0.0 110.857 -178.932 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 391' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' A' ' 388' ' ' ASN . 62.6 mttp 57.72 -104.18 0.21 Allowed 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.896 179.034 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -100.76 -3.47 29.99 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.73 0.3 . . . . 0.0 111.168 -174.813 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 45.2 t-20 -78.84 91.47 4.75 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 179.154 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -59.78 -40.54 88.62 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.296 -0.866 . . . . 0.0 111.679 -177.596 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 395' ' ' LYS . . . . . 0.45 ' O ' ' HB3' ' A' ' 399' ' ' ASN . 0.1 OUTLIER -61.15 -48.27 82.37 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -179.3 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 396' ' ' ALA . . . . . 0.718 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -59.53 -42.94 93.43 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.103 177.09 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 41.9 t -57.8 -56.34 23.28 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.962 179.214 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 398' ' ' GLU . . . . . 0.554 ' HA ' ' HB2' ' A' ' 401' ' ' LYS . 41.0 mt-10 -61.92 -32.9 73.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.11 0.481 . . . . 0.0 110.966 -179.434 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 399' ' ' ASN . . . . . 0.45 ' HB3' ' O ' ' A' ' 395' ' ' LYS . 0.0 OUTLIER -67.21 -28.49 68.12 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.033 179.91 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.718 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 3.2 pp -115.8 17.38 16.1 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-O 121.12 0.486 . . . . 0.0 111.059 176.774 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 401' ' ' LYS . . . . . 0.554 ' HB2' ' HA ' ' A' ' 398' ' ' GLU . 13.6 tmtt? -56.22 -29.65 61.28 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.616 178.132 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -50.3 -32.8 17.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.8 177.016 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -75.98 -14.93 60.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.715 -0.22 . . . . 0.0 111.364 -175.946 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 120.93 -0.53 11.85 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.302 179.268 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 405' ' ' CYS . . . . . 0.52 ' O ' ' HG2' ' A' ' 401' ' ' LYS . 73.4 m -81.3 117.62 21.94 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.09 0.471 . . . . 0.0 111.116 -178.763 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 406' ' ' VAL . . . . . 0.413 HG22 ' HE2' ' A' ' 401' ' ' LYS . 34.8 t -114.46 129.59 70.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.372 178.897 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 407' ' ' PHE . . . . . 0.472 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 29.2 t80 -71.16 125.04 25.86 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-O 121.302 0.573 . . . . 0.0 109.849 179.212 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 408' ' ' ASN . . . . . 0.512 ' O ' ' HA ' ' A' ' 412' ' ' ASN . 13.8 t-20 -98.53 128.03 44.69 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.865 -178.414 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 11.7 p -90.33 -17.73 26.81 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.738 0.304 . . . . 0.0 111.575 -179.043 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -61.79 -57.56 11.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.653 -177.867 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 47.1 m -96.7 -11.62 24.88 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.604 174.288 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 412' ' ' ASN . . . . . 0.512 ' HA ' ' O ' ' A' ' 408' ' ' ASN . 6.8 t30 66.62 75.63 0.32 Allowed 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.488 176.341 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 17.5 ptmt -172.39 156.52 3.79 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.919 -1.037 . . . . 0.0 109.166 -179.251 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 414' ' ' CYS . . . . . 0.509 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 45.2 t -89.0 117.06 27.74 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 178.859 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -131.49 171.34 13.53 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 178.641 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.623 ' HG ' ' H ' ' A' ' 418' ' ' LYS . 47.6 tp -78.9 144.77 34.58 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 -176.836 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 417' ' ' LYS . . . . . 0.571 ' HG3' ' HE3' ' A' ' 421' ' ' LYS . 58.7 tptt -56.45 -23.78 41.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.175 179.064 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 418' ' ' LYS . . . . . 0.623 ' H ' ' HG ' ' A' ' 416' ' ' LEU . 18.4 ttpp -49.66 -42.08 44.43 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.4 174.299 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 419' ' ' ASP . . . . . 0.406 ' O ' ' HG3' ' A' ' 423' ' ' LYS . 4.2 m-20 -77.76 -36.76 50.31 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 114.91 -1.041 . . . . 0.0 110.992 -171.434 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 21.4 t -62.65 -43.81 98.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.659 176.393 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 421' ' ' LYS . . . . . 0.571 ' HE3' ' HG3' ' A' ' 417' ' ' LYS . 99.5 mttt -64.97 -45.39 85.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.639 176.974 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -55.68 -48.74 74.55 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.26 -178.516 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 423' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 419' ' ' ASP . 93.9 mttt -66.4 -29.48 69.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.104 0.478 . . . . 0.0 110.753 179.636 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 50.6 tp -72.79 -45.65 57.4 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.343 178.574 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -60.95 -47.27 87.19 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.354 179.586 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -84.75 16.03 3.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.692 -173.811 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -95.31 6.97 47.58 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.575 0.703 . . . . 0.0 109.504 174.082 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 4.1 p -72.07 -36.9 69.68 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.903 178.894 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 37.8 mtmm 64.25 87.14 0.12 Allowed 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 123.11 0.564 . . . . 0.0 111.745 175.344 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 68.45 8.99 7.01 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.015 177.549 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 431' ' ' THR . . . . . . . . . . . . . 20.5 p 46.69 78.65 0.07 Allowed 'General case' 0 C--O 1.234 0.239 0 C-N-CA 123.592 0.757 . . . . 0.0 112.191 -178.104 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -70.09 100.78 1.7 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.396 0.617 . . . . 0.0 109.901 177.816 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 433' ' ' GLY . . . . . 0.501 ' O ' ' HG3' ' A' ' 436' ' ' GLU . . . 143.59 -61.11 0.51 Allowed Glycine 0 N--CA 1.444 -0.804 0 CA-C-N 115.318 -0.856 . . . . 0.0 111.216 -176.739 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 60.1 mttm 59.41 -93.73 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 122.611 0.365 . . . . 0.0 110.772 -179.832 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -142.78 70.53 1.32 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.859 176.297 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 436' ' ' GLU . . . . . 0.501 ' HG3' ' O ' ' A' ' 433' ' ' GLY . 43.2 mt-10 -73.18 -62.62 1.4 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 175.697 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -132.46 76.6 1.7 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.733 174.947 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . 72.19 -10.6 0.88 Allowed 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.147 -0.933 . . . . 0.0 112.653 179.16 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 54.2 t30 67.36 -75.08 0.06 Allowed 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 123.145 0.578 . . . . 0.0 110.601 -177.669 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 16.1 p -137.08 -64.06 0.58 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.091 177.252 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 32.8 p 45.71 59.18 3.79 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 123.239 0.616 . . . . 0.0 111.516 -176.84 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . 92.52 154.95 31.51 Favored Glycine 0 N--CA 1.448 -0.518 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.951 -177.729 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 49.1 m . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.424 178.117 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.827 0 N-CA-C 112.05 -0.42 . . . . 0.0 112.05 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 6.0 p -141.36 99.17 3.51 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.744 0.307 . . . . 0.0 111.023 178.927 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 373' ' ' LYS . . . . . 0.848 ' HB2' ' HB3' ' A' ' 376' ' ' GLN . 0.0 OUTLIER -77.92 155.64 30.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.769 179.193 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 374' ' ' LYS . . . . . . . . . . . . . 54.3 tttp -115.2 99.06 7.14 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.011 175.866 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 375' ' ' GLN . . . . . . . . . . . . . 39.2 tp60 69.75 3.44 4.27 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.744 0.818 . . . . 0.0 111.535 179.577 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 376' ' ' GLN . . . . . 0.848 ' HB3' ' HB2' ' A' ' 373' ' ' LYS . 7.3 tt0 -80.4 75.35 7.24 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.5 0.666 . . . . 0.0 109.457 176.027 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 377' ' ' THR . . . . . . . . . . . . . 9.3 t -123.54 -16.47 6.76 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.74 -177.337 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 378' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -65.37 -46.42 80.19 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.056 0.455 . . . . 0.0 110.167 -179.215 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 379' ' ' SER . . . . . 0.639 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 23.2 p -57.97 -49.1 77.94 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.677 178.781 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 380' ' ' ALA . . . . . 0.564 ' O ' ' HB2' ' A' ' 384' ' ' GLU . . . -57.4 -44.68 84.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.151 179.492 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -64.55 -56.23 15.36 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.625 -177.955 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 382' ' ' ASN . . . . . 0.55 ' O ' HG13 ' A' ' 386' ' ' ILE . 2.2 p30 -77.11 -36.38 55.59 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -171.631 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 383' ' ' LYS . . . . . 0.639 ' HB2' ' O ' ' A' ' 379' ' ' SER . 13.8 mptt -69.27 -42.74 75.13 Favored 'General case' 0 CA--C 1.52 -0.2 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.446 -178.91 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 384' ' ' GLU . . . . . 0.564 ' HB2' ' O ' ' A' ' 380' ' ' ALA . 11.0 mm-40 -59.45 -44.23 93.0 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-N 116.235 -0.439 . . . . 0.0 109.969 174.865 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.01 -33.82 69.35 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.801 0.334 . . . . 0.0 111.005 -179.776 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 386' ' ' ILE . . . . . 0.68 HG22 HD13 ' A' ' 400' ' ' LEU . 87.3 mt -65.75 -40.21 87.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.394 0.616 . . . . 0.0 109.596 178.769 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 75.3 m -74.63 -44.88 48.33 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.193 178.176 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -66.92 -29.12 68.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.928 -174.902 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -67.54 -16.11 64.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.889 0.376 . . . . 0.0 111.271 178.578 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -98.41 -25.89 14.65 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.694 178.236 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 97.3 mttt 61.39 -89.2 0.03 OUTLIER 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.438 -178.958 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -121.56 11.2 10.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.85 -175.422 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -80.97 90.54 5.96 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.075 -0.65 . . . . 0.0 110.184 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 394' ' ' GLN . . . . . 0.498 ' O ' ' HG3' ' A' ' 398' ' ' GLU . 48.2 tt0 -52.09 -49.84 62.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.591 -0.731 . . . . 0.0 112.057 -178.264 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 47.6 tttp -59.48 -45.14 92.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.822 -171.742 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 396' ' ' ALA . . . . . 0.444 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -63.92 -34.2 77.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.64 0.733 . . . . 0.0 110.153 -179.665 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 81.6 m -78.6 -28.93 45.78 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.432 -178.692 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 398' ' ' GLU . . . . . 0.592 ' O ' ' HB2' ' A' ' 401' ' ' LYS . 45.3 mt-10 -64.81 -26.92 68.55 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.045 0.45 . . . . 0.0 110.089 171.772 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -74.83 -31.23 61.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.458 0.647 . . . . 0.0 109.519 173.041 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.68 HD13 HG22 ' A' ' 386' ' ' ILE . 29.3 mt -88.71 -0.63 57.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.765 178.872 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 401' ' ' LYS . . . . . 0.592 ' HB2' ' O ' ' A' ' 398' ' ' GLU . 4.6 tmtp? -55.25 -44.84 75.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.26 -174.803 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -69.45 -15.86 63.36 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.969 -176.292 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -83.73 -6.45 59.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.886 178.385 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 106.61 -2.71 36.55 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.705 -0.76 . . . . 0.0 111.933 -179.017 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 405' ' ' CYS . . . . . 0.55 ' O ' ' HA ' ' A' ' 401' ' ' LYS . 22.9 t -85.07 111.94 20.2 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 179.763 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 61.9 t -111.68 125.68 69.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.362 -176.659 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 407' ' ' PHE . . . . . 0.534 ' HD2' ' SG ' ' A' ' 414' ' ' CYS . 34.0 t80 -71.7 119.25 15.59 Favored 'General case' 0 N--CA 1.436 -1.13 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 170.576 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -107.68 106.14 16.32 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.719 -175.132 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -65.26 -22.83 66.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.694 0.283 . . . . 0.0 111.402 -178.735 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -62.04 -36.15 80.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.397 0.618 . . . . 0.0 110.096 171.874 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 12.4 t -98.77 -12.17 21.16 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.148 -176.546 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 8.9 t30 55.91 35.57 25.71 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.266 -176.999 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 10.2 ptpp? -160.17 167.49 27.54 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.88 178.074 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 414' ' ' CYS . . . . . 0.534 ' SG ' ' HD2' ' A' ' 407' ' ' PHE . 35.3 m -77.87 122.85 26.01 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.689 173.774 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -134.84 132.42 38.59 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 -174.273 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.442 HD13 ' HB3' ' A' ' 383' ' ' LYS . 64.3 tp -57.16 138.23 54.86 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.105 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -57.02 97.53 0.02 OUTLIER 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.742 0.782 . . . . 0.0 111.65 -175.701 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -53.83 -36.96 63.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.383 -1.281 . . . . 0.0 112.375 -178.626 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -71.8 -30.3 65.38 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.755 -173.954 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 67.3 t -75.33 -41.01 43.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 174.891 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 5.6 tppp? -57.25 -45.65 83.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.205 0.526 . . . . 0.0 110.227 176.703 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -53.69 -54.79 32.95 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.879 178.268 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -70.36 -27.78 64.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.805 -177.234 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 29.3 tp -76.73 -39.61 51.27 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.961 -176.528 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 425' ' ' GLU . . . . . 0.516 ' HB2' ' HB3' ' A' ' 373' ' ' LYS . 14.7 pt-20 -81.98 -11.36 58.89 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.208 178.44 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 426' ' ' LYS . . . . . 0.534 ' HE2' HG21 ' A' ' 431' ' ' THR . 81.1 tttt -61.85 -36.38 81.04 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.189 173.687 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -68.99 -16.45 63.73 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.01 -178.302 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 68.6 m -70.9 -4.63 25.46 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.65 0.262 . . . . 0.0 111.595 179.534 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -106.53 -2.91 21.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.339 174.788 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 53.67 93.82 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.345 0 O-C-N 124.156 0.91 . . . . 0.0 111.75 -175.653 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 431' ' ' THR . . . . . 0.534 HG21 ' HE2' ' A' ' 426' ' ' LYS . 8.5 t -141.05 23.3 2.22 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.318 -0.855 . . . . 0.0 108.812 177.657 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 65.21 -175.51 0.18 Allowed 'General case' 0 C--O 1.235 0.295 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.775 -175.493 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -129.89 111.91 1.24 Allowed Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.029 -179.405 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -124.65 179.47 4.96 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.849 0.357 . . . . 0.0 110.288 178.949 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 435' ' ' ASP . . . . . 0.838 ' HA ' ' HB3' ' A' ' 439' ' ' ASN . 13.1 p-10 -88.82 104.56 17.04 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.403 0.621 . . . . 0.0 110.432 179.106 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -60.48 -60.6 3.55 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.878 0.847 . . . . 0.0 109.097 176.337 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -157.44 105.3 2.06 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.169 -1.378 . . . . 0.0 108.593 176.16 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . 57.6 35.16 25.43 Favored 'General case' 0 C--O 1.234 0.245 0 O-C-N 123.549 0.531 . . . . 0.0 110.861 -179.099 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 439' ' ' ASN . . . . . 0.838 ' HB3' ' HA ' ' A' ' 435' ' ' ASP . 53.9 t30 -80.05 91.12 5.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.552 -177.562 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 8.7 m -87.39 -18.68 29.46 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.376 0.608 . . . . 0.0 110.344 179.2 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 8.3 m -82.15 89.85 6.52 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.799 -179.433 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . -69.41 -63.08 3.55 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.729 -0.748 . . . . 0.0 111.378 176.481 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 68.1 m . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.827 -0.606 . . . . 0.0 109.559 176.024 . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.957 0 N-CA-C 112.649 -0.18 . . . . 0.0 112.649 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 36.8 t -67.21 -50.03 62.38 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.969 0.414 . . . . 0.0 110.581 179.153 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -107.57 141.86 38.38 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.529 179.563 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 374' ' ' LYS . . . . . . . . . . . . . 43.1 mmtm -79.61 165.14 23.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.552 177.857 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 375' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -98.46 144.6 27.63 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.101 0.477 . . . . 0.0 110.886 179.803 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -141.44 150.08 41.83 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.52 -0.764 . . . . 0.0 108.954 177.82 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 377' ' ' THR . . . . . . . . . . . . . 72.4 p 58.44 111.37 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.263 1.025 . . . . 0.0 112.352 -178.06 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 378' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -53.41 -46.78 69.87 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 114.88 -1.055 . . . . 0.0 111.437 -177.395 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 379' ' ' SER . . . . . 0.524 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 16.8 m -64.72 -39.22 93.28 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.892 -173.179 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 380' ' ' ALA . . . . . 0.473 ' HB2' ' HE3' ' A' ' 421' ' ' LYS . . . -69.26 -42.04 76.12 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.875 0.369 . . . . 0.0 110.433 178.332 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -58.88 -64.0 1.09 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.65 -179.123 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 382' ' ' ASN . . . . . 0.571 ' O ' HG13 ' A' ' 386' ' ' ILE . 2.9 p30 -70.05 -35.02 73.95 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -170.384 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 383' ' ' LYS . . . . . 0.524 ' HB2' ' O ' ' A' ' 379' ' ' SER . 14.0 mptt -69.32 -40.38 77.64 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.072 0.463 . . . . 0.0 110.505 -177.162 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 384' ' ' GLU . . . . . 0.506 ' HA ' ' HB2' ' A' ' 416' ' ' LEU . 17.7 tt0 -69.78 -31.26 69.1 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.643 -179.404 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -72.32 -27.54 62.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.694 176.493 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 386' ' ' ILE . . . . . 0.571 HG13 ' O ' ' A' ' 382' ' ' ASN . 68.7 mt -67.86 -45.96 83.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 177.718 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 24.6 m -67.68 -32.55 73.28 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.531 176.943 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -70.47 -23.74 62.75 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.137 178.01 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -66.85 -19.33 65.72 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.888 0.375 . . . . 0.0 110.889 176.087 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -81.29 -25.92 36.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.122 0.487 . . . . 0.0 109.827 178.598 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 95.1 mttt 59.91 -138.2 0.68 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.964 175.822 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 392' ' ' ASP . . . . . 0.445 ' HA ' ' HA ' ' A' ' 413' ' ' LYS . 4.6 p-10 -81.02 9.12 7.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.541 -177.411 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -94.35 99.51 11.71 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.717 179.756 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 394' ' ' GLN . . . . . 0.427 ' O ' ' HG2' ' A' ' 398' ' ' GLU . 10.3 tt0 -65.89 -38.75 89.59 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.373 178.33 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -59.71 -45.7 91.33 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 121.021 0.439 . . . . 0.0 110.172 -177.351 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 396' ' ' ALA . . . . . 0.459 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -62.65 -40.74 98.0 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.516 178.912 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 397' ' ' CYS . . . . . 0.523 ' HA ' HD11 ' A' ' 400' ' ' LEU . 2.0 t -71.38 -38.07 71.55 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.595 -177.589 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 398' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 394' ' ' GLN . 26.2 mm-40 -57.53 -34.32 69.0 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.833 0.349 . . . . 0.0 111.019 175.768 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -69.61 -41.13 76.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.499 179.075 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.523 HD11 ' HA ' ' A' ' 397' ' ' CYS . 2.0 pp -100.15 15.09 28.57 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.178 0.513 . . . . 0.0 111.328 179.983 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 401' ' ' LYS . . . . . 0.458 ' HG3' ' O ' ' A' ' 405' ' ' CYS . 79.5 tttt -68.11 -13.01 61.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.374 -177.666 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 402' ' ' GLU . . . . . 0.761 ' HG3' ' HD2' ' A' ' 403' ' ' LYS . 8.7 pt-20 -57.59 -19.42 25.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.598 177.621 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 403' ' ' LYS . . . . . 0.761 ' HD2' ' HG3' ' A' ' 402' ' ' GLU . 0.8 OUTLIER -77.99 -53.5 7.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.73 0.3 . . . . 0.0 110.352 176.602 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 404' ' ' GLY . . . . . 0.465 ' O ' HD12 ' A' ' 416' ' ' LEU . . . 148.56 47.51 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.582 -0.818 . . . . 0.0 111.954 177.097 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 405' ' ' CYS . . . . . 0.458 ' O ' ' HG3' ' A' ' 401' ' ' LYS . 53.6 m -106.15 148.35 27.96 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 120.696 0.284 . . . . 0.0 110.411 -175.955 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 406' ' ' VAL . . . . . 0.631 HG11 ' HD3' ' A' ' 417' ' ' LYS . 8.7 p -133.89 131.71 56.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 178.128 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 407' ' ' PHE . . . . . 0.628 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 30.3 t80 -84.76 124.28 31.37 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-O 120.872 0.367 . . . . 0.0 110.114 -179.582 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -99.33 109.59 22.19 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 178.259 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 8.8 p -70.42 -18.63 63.02 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.767 -174.276 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -75.11 -43.07 54.88 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.397 -177.274 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 21.1 p -85.48 -18.46 33.47 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 174.177 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 64.35 53.28 1.72 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 114.761 -1.109 . . . . 0.0 109.97 -179.226 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 413' ' ' LYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 392' ' ' ASP . 62.1 pttt -164.41 163.75 22.21 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.604 173.515 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 414' ' ' CYS . . . . . 0.628 ' HA ' ' HA ' ' A' ' 407' ' ' PHE . 14.5 t -99.59 137.9 37.43 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.962 0.411 . . . . 0.0 111.072 -175.566 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -133.64 160.92 36.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.786 -178.039 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.642 ' O ' ' HE2' ' A' ' 418' ' ' LYS . 18.2 tp -69.06 134.29 49.2 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.762 0.315 . . . . 0.0 110.244 178.149 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 417' ' ' LYS . . . . . 0.631 ' HD3' HG11 ' A' ' 406' ' ' VAL . 21.9 tptm -87.58 108.6 19.14 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 176.562 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 418' ' ' LYS . . . . . 0.642 ' HE2' ' O ' ' A' ' 416' ' ' LEU . 0.0 OUTLIER -62.01 -27.86 69.17 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.432 -177.297 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -62.39 -38.51 89.89 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.936 174.047 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 58.2 t -75.96 -39.85 37.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.077 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 421' ' ' LYS . . . . . 0.473 ' HE3' ' HB2' ' A' ' 380' ' ' ALA . 58.4 tttm -56.26 -37.94 70.48 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.548 0.689 . . . . 0.0 110.046 174.543 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -60.59 -47.94 83.99 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.737 -1.119 . . . . 0.0 110.768 176.884 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.94 -13.83 59.74 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.582 -178.252 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 58.0 tp -79.98 -60.42 2.35 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.278 178.611 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -79.74 -36.03 37.9 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.221 -178.97 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt 58.75 37.26 25.06 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 121.085 0.469 . . . . 0.0 110.061 -175.577 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 73.81 -36.29 0.34 Allowed 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 114.692 -1.14 . . . . 0.0 111.914 179.452 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 36.7 m -131.72 98.59 4.52 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 120.781 0.324 . . . . 0.0 110.538 -178.113 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 429' ' ' LYS . . . . . 0.428 ' C ' ' H ' ' A' ' 431' ' ' THR . 0.4 OUTLIER -99.86 6.95 45.26 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.083 178.503 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 70.55 -18.21 0.26 Allowed 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.399 0.68 . . . . 0.0 112.583 171.995 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 431' ' ' THR . . . . . 0.428 ' H ' ' C ' ' A' ' 429' ' ' LYS . 30.8 m 79.01 -49.71 0.43 Allowed 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 123.573 0.749 . . . . 0.0 110.828 177.531 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -108.94 11.31 26.06 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.534 0.683 . . . . 0.0 109.232 178.093 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -78.1 66.06 3.2 Favored Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 115.348 -0.842 . . . . 0.0 112.619 -177.533 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 434' ' ' LYS . . . . . 0.405 ' C ' ' H ' ' A' ' 436' ' ' GLU . 20.7 tptm -139.93 -57.81 0.56 Allowed 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.751 -0.462 . . . . 0.0 109.751 176.333 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 435' ' ' ASP . . . . . 0.402 ' HB3' ' O ' ' A' ' 434' ' ' LYS . 16.9 t70 74.85 -33.59 0.25 Allowed 'General case' 0 N--CA 1.473 0.681 0 O-C-N 123.832 0.708 . . . . 0.0 111.93 174.601 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 436' ' ' GLU . . . . . 0.405 ' H ' ' C ' ' A' ' 434' ' ' LYS . 42.6 mt-10 64.57 -96.26 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 122.996 0.518 . . . . 0.0 110.01 -177.819 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -138.52 3.27 2.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.616 0.246 . . . . 0.0 110.422 177.253 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . 178.1 -49.51 0.01 OUTLIER 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.871 -177.488 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 56.98 89.19 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.995 -173.485 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 2.2 p -99.37 25.09 7.28 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.999 -0.546 . . . . 0.0 112.434 -173.892 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 63.7 m 67.19 108.14 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 121.414 0.626 . . . . 0.0 111.455 -179.121 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . 170.58 -38.29 0.18 Allowed Glycine 0 N--CA 1.449 -0.466 0 N-CA-C 111.437 -0.665 . . . . 0.0 111.437 -179.911 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 38.4 t . . . . . 0 C--O 1.247 0.925 0 CA-C-O 118.546 -0.74 . . . . 0.0 109.211 177.087 . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.902 0 N-CA-C 111.96 -0.456 . . . . 0.0 111.96 . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 17.8 m -89.91 25.12 2.18 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -174.711 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -148.71 140.91 24.03 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.838 -0.345 . . . . 0.0 111.064 178.027 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 374' ' ' LYS . . . . . . . . . . . . . 51.4 tttm 69.26 120.25 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.365 0 O-C-N 124.43 1.081 . . . . 0.0 111.916 -179.749 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 375' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -88.3 -176.31 5.32 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.775 176.342 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -103.11 110.9 23.01 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.214 0.53 . . . . 0.0 110.439 178.273 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 377' ' ' THR . . . . . . . . . . . . . 1.9 p -91.19 12.3 20.56 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.992 175.385 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 378' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -48.23 -46.46 35.37 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 114.849 -1.069 . . . . 0.0 112.302 -176.94 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 379' ' ' SER . . . . . 0.684 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 14.2 m -56.82 -48.12 78.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.681 -179.4 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 380' ' ' ALA . . . . . 0.587 ' HB2' ' HE2' ' A' ' 421' ' ' LYS . . . -67.9 -42.12 81.64 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.259 -179.14 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -64.55 -47.49 78.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.617 -174.309 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 382' ' ' ASN . . . . . 0.543 ' O ' HG13 ' A' ' 386' ' ' ILE . 1.8 p30 -77.85 -33.15 52.33 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.869 -177.109 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 383' ' ' LYS . . . . . 0.684 ' HB2' ' O ' ' A' ' 379' ' ' SER . 12.2 mptt -70.48 -46.09 64.43 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-O 121.272 0.558 . . . . 0.0 109.849 -176.976 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -61.18 -39.25 89.44 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.153 -0.931 . . . . 0.0 109.611 178.145 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.59 -37.14 77.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.633 176.658 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 386' ' ' ILE . . . . . 0.598 HG21 ' HG2' ' A' ' 403' ' ' LYS . 94.7 mt -67.34 -43.51 87.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.254 0.549 . . . . 0.0 109.858 179.034 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 34.5 m -65.48 -37.77 87.8 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.273 176.639 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -69.99 -22.29 63.15 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.686 179.042 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -67.63 -16.49 64.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.857 0.36 . . . . 0.0 111.076 174.928 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -90.94 -18.46 24.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.672 176.103 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 60.7 mttp 59.11 -123.98 1.27 Allowed 'General case' 0 C--O 1.232 0.153 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.625 177.452 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -99.23 11.2 39.75 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.878 -175.677 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 393' ' ' ASN . . . . . 0.404 ' OD1' ' HB3' ' A' ' 395' ' ' LYS . 44.2 t-20 -94.48 114.04 25.98 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.19 0.519 . . . . 0.0 109.967 179.976 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -72.13 -39.56 68.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.798 -176.764 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 395' ' ' LYS . . . . . 0.404 ' HB3' ' OD1' ' A' ' 393' ' ' ASN . 75.4 tttt -56.18 -53.59 55.27 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.046 175.768 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 396' ' ' ALA . . . . . 0.425 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -60.75 -38.15 84.2 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.782 179.35 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 53.6 t -57.43 -53.62 56.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.731 178.64 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 398' ' ' GLU . . . . . 0.923 ' HA ' ' HB2' ' A' ' 401' ' ' LYS . 14.6 mt-10 -69.15 -14.9 63.25 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.911 -178.258 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -70.48 -38.76 74.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.763 0.316 . . . . 0.0 110.356 173.511 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 1.4 pp -107.46 13.87 26.45 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.467 0.651 . . . . 0.0 111.116 179.687 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 401' ' ' LYS . . . . . 0.923 ' HB2' ' HA ' ' A' ' 398' ' ' GLU . 85.6 tttt -55.8 -27.71 52.55 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.812 -1.086 . . . . 0.0 113.685 -177.807 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.02 -17.34 51.68 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -178.465 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 403' ' ' LYS . . . . . 0.598 ' HG2' HG21 ' A' ' 386' ' ' ILE . 13.2 mptt -74.16 -19.3 60.6 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.979 0.419 . . . . 0.0 110.222 176.769 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 404' ' ' GLY . . . . . 0.505 ' O ' HD12 ' A' ' 416' ' ' LEU . . . 116.28 37.22 1.03 Allowed Glycine 0 N--CA 1.447 -0.604 0 N-CA-C 111.27 -0.732 . . . . 0.0 111.27 -178.912 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 405' ' ' CYS . . . . . 0.672 ' HB2' ' HA ' ' A' ' 401' ' ' LYS . 82.4 m -103.06 133.79 47.58 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-O 121.171 0.51 . . . . 0.0 110.912 -170.687 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 406' ' ' VAL . . . . . 0.863 HG11 ' HD3' ' A' ' 417' ' ' LYS . 13.1 p -130.55 134.07 62.7 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.607 177.546 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 407' ' ' PHE . . . . . 0.41 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 28.0 t80 -81.8 120.33 25.02 Favored 'General case' 0 N--CA 1.433 -1.288 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 175.794 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 408' ' ' ASN . . . . . 0.453 HD21 ' HG2' ' A' ' 410' ' ' GLU . 3.2 t-20 -103.11 114.68 29.18 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.578 -177.311 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 15.6 p -63.59 -27.62 69.37 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.161 0.505 . . . . 0.0 111.383 -178.944 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 410' ' ' GLU . . . . . 0.453 ' HG2' HD21 ' A' ' 408' ' ' ASN . 3.4 mm-40 -76.69 -37.74 55.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.161 -177.133 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 41.2 t -88.44 -19.67 26.21 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.184 178.569 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 66.5 t30 68.09 23.65 7.99 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.337 178.799 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 43.1 mttp -139.16 165.8 26.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.373 -179.115 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 414' ' ' CYS . . . . . 0.602 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 40.8 t -91.37 120.85 32.58 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 168.564 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -135.1 167.25 21.32 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.755 0.312 . . . . 0.0 110.752 -178.973 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.505 HD12 ' O ' ' A' ' 404' ' ' GLY . 44.9 tp -70.47 129.63 39.76 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.735 176.748 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 417' ' ' LYS . . . . . 0.863 ' HD3' HG11 ' A' ' 406' ' ' VAL . 24.4 tptp -61.92 109.78 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.895 0.379 . . . . 0.0 110.198 -178.826 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 418' ' ' LYS . . . . . 0.636 ' HA ' ' HE2' ' A' ' 418' ' ' LYS . 11.8 mmpt? -54.99 -38.69 68.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.588 -177.887 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -58.13 -51.15 70.9 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.354 -1.294 . . . . 0.0 111.596 179.886 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 92.7 t -66.05 -54.77 23.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.216 -176.223 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 421' ' ' LYS . . . . . 0.587 ' HE2' ' HB2' ' A' ' 380' ' ' ALA . 5.7 tmtm? -52.86 -44.07 66.54 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.178 0.513 . . . . 0.0 111.878 -175.36 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -74.57 -49.14 22.95 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.52 -175.375 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 423' ' ' LYS . . . . . 0.409 ' O ' ' HG2' ' A' ' 427' ' ' GLU . 59.7 mtpt -84.25 -6.29 59.37 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -172.452 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 64.7 tp -92.49 -49.32 6.19 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 175.009 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -83.18 -66.99 0.82 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.066 0.46 . . . . 0.0 111.57 -177.592 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 55.5 tttp -92.56 61.34 3.69 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.221 0.534 . . . . 0.0 111.691 -167.485 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 427' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 423' ' ' LYS . 0.0 OUTLIER -120.94 -24.89 5.49 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.932 170.494 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 89.2 p 173.08 -36.17 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.87 173.94 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -87.21 31.45 0.72 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.036 -0.529 . . . . 0.0 112.388 -174.316 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -51.94 -64.52 0.79 Allowed 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 173.406 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 431' ' ' THR . . . . . . . . . . . . . 4.7 p -146.04 5.94 1.0 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.371 -0.831 . . . . 0.0 108.805 163.283 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -87.18 98.59 11.39 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.418 -174.464 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 108.54 -30.21 9.09 Favored Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 110.608 -0.997 . . . . 0.0 110.608 -173.263 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 52.4 mttm 67.89 -73.33 0.08 Allowed 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.539 0.736 . . . . 0.0 112.231 175.335 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 435' ' ' ASP . . . . . 0.845 ' HB3' ' HB3' ' A' ' 439' ' ' ASN . 19.2 m-20 -79.63 74.56 6.3 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.778 -0.647 . . . . 0.0 112.289 -171.162 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 37.97 -99.46 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.714 0 O-C-N 124.361 1.038 . . . . 0.0 113.255 174.1 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 58.3 tttp -142.32 97.24 3.09 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.419 177.917 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . 56.69 80.65 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.211 -178.424 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 439' ' ' ASN . . . . . 0.845 ' HB3' ' HB3' ' A' ' 435' ' ' ASP . 51.5 t30 -102.34 149.68 24.09 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 175.414 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 26.9 m 71.15 108.41 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 -172.339 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 10.7 p -53.01 -43.37 66.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.266 -173.925 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . 162.28 -157.12 28.95 Favored Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.303 178.977 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 16.6 m . . . . . 0 C--O 1.244 0.811 0 CA-C-O 118.594 -0.717 . . . . 0.0 110.192 -178.08 . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.771 0 N-CA-C 111.691 -0.564 . . . . 0.0 111.691 . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 50.5 m -147.93 105.15 3.64 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.982 0.42 . . . . 0.0 110.743 178.181 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 373' ' ' LYS . . . . . 0.407 ' H ' ' HG2' ' A' ' 373' ' ' LYS . 51.4 pttt -82.11 -4.62 57.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.528 177.303 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 374' ' ' LYS . . . . . . . . . . . . . 26.6 mmmt -138.91 162.67 34.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.423 -0.808 . . . . 0.0 108.923 174.683 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 375' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 65.84 -178.24 0.19 Allowed 'General case' 0 N--CA 1.466 0.329 0 O-C-N 123.59 0.557 . . . . 0.0 111.288 -176.196 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 72.03 -56.77 0.64 Allowed 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.446 0.698 . . . . 0.0 112.394 179.015 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 377' ' ' THR . . . . . . . . . . . . . 16.9 p -70.34 95.57 1.04 Allowed 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.515 179.78 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 378' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -58.55 -34.17 70.73 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.707 -177.491 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 379' ' ' SER . . . . . 0.682 ' HB2' HD13 ' A' ' 424' ' ' LEU . 14.4 p -59.25 -68.28 0.29 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.604 -178.888 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -65.77 -38.5 89.23 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.167 -0.469 . . . . 0.0 112.171 -174.884 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -74.83 -52.96 10.03 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.879 0.371 . . . . 0.0 110.994 -170.98 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 382' ' ' ASN . . . . . 0.454 ' O ' HG13 ' A' ' 386' ' ' ILE . 0.0 OUTLIER -70.15 -29.22 66.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.931 -176.263 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 383' ' ' LYS . . . . . 0.599 ' HB2' ' O ' ' A' ' 379' ' ' SER . 12.0 tptt -63.97 -49.46 72.42 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 178.391 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -57.38 -39.36 75.9 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.259 175.463 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 3.5 tmtp? -57.98 -43.31 86.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.474 179.654 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 386' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 382' ' ' ASN . 76.2 mt -64.16 -41.74 93.38 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-O 121.319 0.58 . . . . 0.0 109.705 -179.063 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 387' ' ' CYS . . . . . 0.413 ' O ' ' HB3' ' A' ' 414' ' ' CYS . 34.5 m -67.41 -41.97 84.04 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.69 178.279 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -66.22 -30.43 70.88 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.804 0.335 . . . . 0.0 110.146 179.561 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -71.34 -4.98 29.06 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.877 178.475 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 390' ' ' ALA . . . . . 0.408 ' HB2' HD21 ' A' ' 400' ' ' LEU . . . -93.43 -14.12 27.15 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 176.482 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt 61.85 -149.65 0.39 Allowed 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.417 175.79 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 392' ' ' ASP . . . . . 0.42 ' HB3' ' HD3' ' A' ' 413' ' ' LYS . 3.7 p-10 -89.81 7.2 38.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.767 178.412 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -80.43 101.75 9.22 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.736 175.98 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 394' ' ' GLN . . . . . 0.561 ' O ' ' HG2' ' A' ' 398' ' ' GLU . 34.2 tt0 -63.64 -35.68 81.33 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.949 -177.442 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -60.63 -45.4 94.19 Favored 'General case' 0 C--O 1.233 0.204 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 -177.463 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 396' ' ' ALA . . . . . 0.607 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -60.82 -44.74 96.5 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.403 176.775 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 31.6 t -61.52 -50.4 72.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.813 179.819 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 398' ' ' GLU . . . . . 0.561 ' HG2' ' O ' ' A' ' 394' ' ' GLN . 70.0 mm-40 -53.54 -40.37 65.47 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.159 0.504 . . . . 0.0 110.908 178.476 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -74.21 -24.59 59.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.734 -0.666 . . . . 0.0 112.27 -174.153 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.607 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 2.7 pp -112.12 11.58 20.41 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 121.866 -0.521 . . . . 0.0 111.293 176.355 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 23.5 ttpp -61.77 -25.71 67.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.181 -178.025 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 402' ' ' GLU . . . . . 0.526 ' OE1' ' HG3' ' A' ' 403' ' ' LYS . 0.5 OUTLIER -65.93 -5.22 8.66 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -179.909 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 403' ' ' LYS . . . . . 0.526 ' HG3' ' OE1' ' A' ' 402' ' ' GLU . 53.6 mttp -97.43 -1.24 44.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.638 -0.255 . . . . 0.0 111.382 174.121 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 106.83 23.04 7.31 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.991 176.768 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 405' ' ' CYS . . . . . 0.514 ' HB3' ' SG ' ' A' ' 414' ' ' CYS . 74.9 m -109.07 110.22 21.43 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.857 0.36 . . . . 0.0 110.722 -179.575 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 406' ' ' VAL . . . . . 0.574 HG21 ' HD3' ' A' ' 417' ' ' LYS . 58.2 t -111.06 129.88 65.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.787 -179.465 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 407' ' ' PHE . . . . . 0.467 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 47.2 t80 -64.36 130.62 44.5 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-O 121.201 0.524 . . . . 0.0 110.633 -178.448 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -109.03 108.42 19.13 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.971 -178.586 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 1.1 p -68.61 -22.3 64.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.457 -178.433 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -56.91 -49.49 75.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.602 178.153 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 20.7 t -99.41 -8.75 24.33 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.02 0.438 . . . . 0.0 110.039 178.796 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 4.7 t30 61.62 41.81 11.81 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.687 -176.917 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 413' ' ' LYS . . . . . 0.42 ' HD3' ' HB3' ' A' ' 392' ' ' ASP . 72.9 mmtt -142.12 159.62 41.87 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.27 179.364 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 414' ' ' CYS . . . . . 0.514 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 48.3 t -78.04 127.59 32.56 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 176.344 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -124.63 151.54 44.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.04 -171.842 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.497 HD22 ' HB3' ' A' ' 383' ' ' LYS . 50.9 tp -71.4 129.18 38.18 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 176.045 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 417' ' ' LYS . . . . . 0.574 ' HD3' HG21 ' A' ' 406' ' ' VAL . 50.6 tptt -58.55 114.23 2.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.72 176.424 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 418' ' ' LYS . . . . . 0.569 ' HA ' ' HB3' ' A' ' 421' ' ' LYS . 54.8 mtmt -69.99 -17.13 63.27 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.88 0.372 . . . . 0.0 111.272 -175.969 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -68.83 -48.04 64.53 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.84 172.215 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 420' ' ' VAL . . . . . 0.538 HG12 HD23 ' A' ' 424' ' ' LEU . 64.0 t -66.79 -41.25 87.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.758 176.479 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 421' ' ' LYS . . . . . 0.569 ' HB3' ' HA ' ' A' ' 418' ' ' LYS . 19.2 ttmm -53.0 -47.77 68.02 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.748 175.655 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -54.05 -48.94 70.05 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.68 178.383 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -64.12 -46.01 86.06 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.137 -178.841 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 424' ' ' LEU . . . . . 0.942 ' HA ' ' HG2' ' A' ' 427' ' ' GLU . 4.1 pp -74.81 -28.29 60.65 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -175.5 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 425' ' ' GLU . . . . . 0.513 ' N ' HD12 ' A' ' 424' ' ' LEU . 30.3 mt-10 -67.03 -34.9 78.71 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.588 178.181 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 16.1 ttpp -125.62 60.24 1.26 Allowed 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.202 174.059 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 427' ' ' GLU . . . . . 0.942 ' HG2' ' HA ' ' A' ' 424' ' ' LEU . 4.0 mm-40 -64.13 -75.03 0.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.1 177.464 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 428' ' ' SER . . . . . 0.526 ' O ' ' HA3' ' A' ' 433' ' ' GLY . 48.9 m -146.49 -54.63 0.25 Allowed 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.077 177.607 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 429' ' ' LYS . . . . . 0.503 ' HA ' ' HA3' ' A' ' 433' ' ' GLY . 0.6 OUTLIER -167.22 92.69 0.42 Allowed 'General case' 0 CA--C 1.531 0.221 0 CA-C-O 121.456 0.646 . . . . 0.0 110.849 179.746 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -108.63 -70.91 0.78 Allowed 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 173.847 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 431' ' ' THR . . . . . . . . . . . . . 26.2 m -76.34 -51.29 12.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.221 0.534 . . . . 0.0 110.062 173.44 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -165.57 111.57 0.9 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.523 -0.918 . . . . 0.0 108.523 179.651 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 433' ' ' GLY . . . . . 0.526 ' HA3' ' O ' ' A' ' 428' ' ' SER . . . -135.26 87.46 0.24 Allowed Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.121 -1.038 . . . . 0.0 113.773 -172.681 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 434' ' ' LYS . . . . . 0.574 ' O ' ' HB2' ' A' ' 439' ' ' ASN . 64.9 mmtt -149.25 58.57 1.02 Allowed 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 172.685 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -93.84 -119.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -172.318 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -69.38 109.16 4.04 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 113.552 0.945 . . . . 0.0 113.552 -162.817 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 37.4 tttp 60.69 10.96 2.87 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 114.351 -1.295 . . . . 0.0 110.011 -178.581 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -91.14 -39.78 11.95 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-N 114.384 -1.28 . . . . 0.0 109.062 178.754 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 439' ' ' ASN . . . . . 0.574 ' HB2' ' O ' ' A' ' 434' ' ' LYS . 46.3 t-20 -82.42 133.83 35.22 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.139 -0.937 . . . . 0.0 108.58 173.55 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 18.6 m 79.64 -44.13 0.3 Allowed 'General case' 0 CA--C 1.535 0.382 0 O-C-N 123.681 0.613 . . . . 0.0 111.275 178.5 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 25.6 m 71.55 135.47 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.4 0.619 . . . . 0.0 112.216 173.921 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . -126.37 97.91 0.51 Allowed Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.906 -0.664 . . . . 0.0 111.913 -179.519 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 18.8 t . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.388 -0.815 . . . . 0.0 109.928 -178.542 . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.694 0 N-CA-C 111.842 -0.503 . . . . 0.0 111.842 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 71.2 m 62.98 177.14 0.15 Allowed 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 121.176 0.513 . . . . 0.0 111.722 179.917 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 21.3 pttm -139.06 111.8 7.76 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.218 0.532 . . . . 0.0 110.504 176.197 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 374' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -84.54 88.03 7.29 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.362 0.601 . . . . 0.0 110.312 -178.71 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 375' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -157.04 -50.74 0.07 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.003 -0.999 . . . . 0.0 108.753 178.207 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 21.5 tp60 -77.35 84.67 3.78 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.219 -0.9 . . . . 0.0 108.688 173.641 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 377' ' ' THR . . . . . . . . . . . . . 4.9 t -108.06 153.28 23.35 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.545 -176.817 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 378' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.41 -38.04 63.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.994 -176.73 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 379' ' ' SER . . . . . 0.507 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 24.6 m -58.42 -47.87 82.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.915 -179.668 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -67.41 -43.75 80.51 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.046 178.565 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -58.78 -55.17 38.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.668 -0.697 . . . . 0.0 112.28 -176.698 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 382' ' ' ASN . . . . . 0.538 ' O ' HG13 ' A' ' 386' ' ' ILE . 2.3 p30 -72.2 -34.22 68.21 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 121.076 -0.249 . . . . 0.0 111.033 -174.5 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 383' ' ' LYS . . . . . 0.667 ' HB3' HD21 ' A' ' 416' ' ' LEU . 11.1 mptt -71.5 -43.05 67.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.794 0.33 . . . . 0.0 110.409 179.723 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 384' ' ' GLU . . . . . 0.469 ' HG3' HD12 ' A' ' 416' ' ' LEU . 17.0 mt-10 -59.04 -37.25 76.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.447 174.769 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 53.4 tptt -67.06 -30.87 71.05 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.621 177.939 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 386' ' ' ILE . . . . . 0.538 HG13 ' O ' ' A' ' 382' ' ' ASN . 91.4 mt -71.35 -44.41 72.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 177.65 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 21.3 m -65.54 -38.17 88.86 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.038 175.953 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -70.77 -19.25 62.73 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.175 179.566 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -70.4 -20.46 62.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.664 174.589 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 390' ' ' ALA . . . . . 0.462 ' HB2' HD21 ' A' ' 400' ' ' LEU . . . -81.0 -24.4 37.99 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 178.002 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? 60.82 -137.87 0.59 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.013 -0.994 . . . . 0.0 111.285 173.081 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -87.02 5.91 35.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.458 -177.592 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 55.2 t-20 -87.63 107.68 18.72 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 177.83 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -65.85 -38.67 89.49 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.461 -178.24 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 395' ' ' LYS . . . . . 0.564 ' O ' ' HG2' ' A' ' 398' ' ' GLU . 36.1 mtmm -61.37 -48.74 79.9 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.515 179.245 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 396' ' ' ALA . . . . . 0.532 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -60.79 -34.48 74.57 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.05 0.452 . . . . 0.0 110.515 179.8 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 52.5 t -66.21 -49.93 65.6 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.806 177.612 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 398' ' ' GLU . . . . . 0.564 ' HG2' ' O ' ' A' ' 395' ' ' LYS . 8.8 pt-20 -62.27 -27.75 69.24 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.051 -177.991 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 26.8 m-80 -62.58 -59.18 5.29 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.446 174.284 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 1.8 pp -84.3 11.29 8.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.035 0.445 . . . . 0.0 111.609 -178.262 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 401' ' ' LYS . . . . . 0.472 ' HB2' ' HA ' ' A' ' 398' ' ' GLU . 46.3 tttm -62.39 -17.57 59.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.841 177.758 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -57.42 -30.05 64.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.678 175.199 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -84.54 -2.2 56.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.937 -178.14 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 95.66 38.4 4.71 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.345 -179.806 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 405' ' ' CYS . . . . . 0.569 ' HB3' ' SG ' ' A' ' 414' ' ' CYS . 79.2 m -108.46 118.48 36.9 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 179.171 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 406' ' ' VAL . . . . . 0.513 HG11 HG21 ' A' ' 420' ' ' VAL . 8.6 p -112.98 137.03 47.4 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 -178.971 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 407' ' ' PHE . . . . . 0.477 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 30.4 t80 -85.59 126.05 33.59 Favored 'General case' 0 N--CA 1.439 -0.998 0 CA-C-O 121.262 0.553 . . . . 0.0 110.222 -179.596 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -109.62 113.18 25.73 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.546 176.554 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 2.5 p -70.92 -19.55 62.58 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.85 177.101 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -56.22 -62.93 1.38 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.669 179.612 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 9.5 t -89.49 -4.97 57.71 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.601 0.715 . . . . 0.0 109.393 175.787 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 59.89 67.71 0.85 Allowed 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 114.602 -1.181 . . . . 0.0 111.698 178.649 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 15.8 pttp -170.02 175.02 5.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.223 171.434 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 414' ' ' CYS . . . . . 0.569 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 49.8 t -100.47 126.4 46.88 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 176.366 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -133.93 176.8 8.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.903 0.382 . . . . 0.0 110.98 -178.977 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.667 HD21 ' HB3' ' A' ' 383' ' ' LYS . 8.2 mt -67.63 148.82 50.87 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.112 0.482 . . . . 0.0 111.375 -179.964 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.22 -6.83 19.8 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.136 174.491 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 418' ' ' LYS . . . . . 0.42 ' H ' ' HB3' ' A' ' 416' ' ' LEU . 36.3 ttpt -45.94 -53.38 10.04 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.79 -178.747 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -76.57 -39.95 51.14 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.162 -0.926 . . . . 0.0 111.029 -173.609 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 420' ' ' VAL . . . . . 0.513 HG21 HG11 ' A' ' 406' ' ' VAL . 58.5 t -66.76 -43.61 89.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.858 -178.259 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 18.2 ttmm -69.64 -39.39 77.14 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.637 178.237 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -60.13 -47.32 86.39 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 176.427 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 423' ' ' LYS . . . . . 0.467 ' O ' ' HB2' ' A' ' 427' ' ' GLU . 13.6 tppt? -60.88 -41.36 95.82 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.498 179.235 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -69.11 -60.53 2.29 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.107 -175.801 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -70.2 -26.31 63.82 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -172.972 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -83.31 -19.87 35.44 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 121.189 -0.204 . . . . 0.0 110.566 177.914 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 427' ' ' GLU . . . . . 0.467 ' HB2' ' O ' ' A' ' 423' ' ' LYS . 37.7 tt0 -69.68 -30.62 68.33 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.97 0.414 . . . . 0.0 110.08 179.173 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 428' ' ' SER . . . . . 0.411 ' C ' ' H ' ' A' ' 430' ' ' GLU . 7.0 m -65.94 -24.63 66.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.755 173.639 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? 69.74 -20.7 0.18 Allowed 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.088 0.955 . . . . 0.0 113.014 173.906 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 430' ' ' GLU . . . . . 0.411 ' H ' ' C ' ' A' ' 428' ' ' SER . 6.8 tp10 -72.08 -25.55 61.81 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.115 0.483 . . . . 0.0 110.16 178.578 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 431' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -83.41 1.93 39.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.185 -177.488 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -102.64 105.52 16.01 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 179.164 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 178.7 -89.4 0.08 OUTLIER Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.24 -178.359 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 434' ' ' LYS . . . . . 0.472 ' CD ' ' HB2' ' A' ' 436' ' ' GLU . 36.8 ttmt -152.91 133.47 13.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.521 0.2 . . . . 0.0 110.591 -178.754 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -79.78 -54.82 5.48 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 174.143 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 436' ' ' GLU . . . . . 0.472 ' HB2' ' CD ' ' A' ' 434' ' ' LYS . 5.6 tp10 62.72 93.47 0.05 Allowed 'General case' 0 C--O 1.235 0.323 0 CA-C-N 114.767 -1.106 . . . . 0.0 111.559 177.557 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 437' ' ' LYS . . . . . 0.886 ' HA ' ' HE3' ' A' ' 437' ' ' LYS . 0.3 OUTLIER 71.6 -61.79 0.48 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.034 178.697 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -165.38 110.51 0.89 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.634 179.599 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 23.1 t30 -60.77 126.4 27.26 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.343 -0.39 . . . . 0.0 109.999 176.644 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 15.8 p -68.73 -19.36 64.35 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.982 -175.06 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 1.9 m 63.3 21.81 13.0 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 121.542 0.687 . . . . 0.0 109.999 -179.723 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . 116.91 -123.18 5.72 Favored Glycine 0 N--CA 1.445 -0.702 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 -175.192 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 14.8 p . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.821 -0.609 . . . . 0.0 110.294 177.12 . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.779 0 N-CA-C 111.825 -0.51 . . . . 0.0 111.825 . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 37.6 t 66.94 112.15 0.04 OUTLIER 'General case' 0 C--O 1.233 0.188 0 C-N-CA 123.341 0.656 . . . . 0.0 110.909 -176.695 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 32.4 mttp 70.04 152.32 0.1 Allowed 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.074 179.92 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 374' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -155.6 -60.97 0.11 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.578 177.804 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 375' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -119.94 116.8 26.52 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 177.792 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -128.03 158.63 37.4 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.039 -175.321 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 377' ' ' THR . . . . . . . . . . . . . 32.3 p 49.71 49.81 19.41 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.724 0.773 . . . . 0.0 110.352 -175.711 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 378' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -55.08 -39.79 69.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.244 -1.344 . . . . 0.0 112.099 -175.133 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 23.0 t -65.03 -55.5 18.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.578 -178.048 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -60.82 -40.76 93.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.853 0.359 . . . . 0.0 110.563 178.677 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -56.05 -56.49 20.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.782 -179.277 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 382' ' ' ASN . . . . . 0.41 ' O ' HG13 ' A' ' 386' ' ' ILE . 2.2 p30 -72.98 -34.11 66.24 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 121.0 -0.28 . . . . 0.0 110.695 -174.868 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 383' ' ' LYS . . . . . 0.586 ' HB3' HD22 ' A' ' 416' ' ' LEU . 3.0 mptp? -54.45 -57.47 11.2 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 173.696 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -56.72 -44.65 81.8 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.563 178.915 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 25.5 tptp -63.51 -38.9 92.92 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.432 0.16 . . . . 0.0 111.432 -177.254 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 386' ' ' ILE . . . . . 0.41 HG13 ' O ' ' A' ' 382' ' ' ASN . 85.3 mt -67.79 -44.55 85.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.317 0.58 . . . . 0.0 109.715 178.256 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 387' ' ' CYS . . . . . 0.425 ' O ' ' HB3' ' A' ' 414' ' ' CYS . 62.0 m -63.16 -45.82 90.06 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.841 178.188 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -76.91 -15.28 59.73 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.669 -174.565 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -65.49 -25.56 67.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.716 175.353 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -79.91 -21.7 43.61 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -179.458 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 32.7 mtmm 57.45 -116.69 0.96 Allowed 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.486 175.87 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -94.08 -3.34 51.35 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.481 0.182 . . . . 0.0 111.368 -175.915 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -84.68 106.94 16.61 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.075 0.464 . . . . 0.0 110.374 -176.316 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -69.98 -39.12 76.15 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.878 -179.215 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -52.47 -55.76 19.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.579 179.832 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 396' ' ' ALA . . . . . 0.463 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -65.71 -33.6 76.25 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.497 -177.621 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 51.8 t -59.42 -50.24 74.7 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.421 0.629 . . . . 0.0 110.375 176.65 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 398' ' ' GLU . . . . . 0.635 ' HA ' ' HB2' ' A' ' 401' ' ' LYS . 20.7 mt-10 -77.72 -4.27 45.4 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.625 -177.189 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 -75.67 -41.43 53.96 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 167.398 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 1.4 pp -103.71 18.89 20.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.263 0.554 . . . . 0.0 110.814 178.358 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 401' ' ' LYS . . . . . 0.635 ' HB2' ' HA ' ' A' ' 398' ' ' GLU . 18.3 tptm -45.63 -32.52 2.4 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 114.933 -1.031 . . . . 0.0 111.36 175.233 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -48.49 -44.37 35.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.091 -0.959 . . . . 0.0 112.77 178.947 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -84.65 25.15 0.93 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -167.278 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 89.97 -1.7 80.85 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 121.01 -0.614 . . . . 0.0 111.766 177.516 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 405' ' ' CYS . . . . . 0.569 ' O ' ' HD2' ' A' ' 401' ' ' LYS . 76.2 m -79.19 115.36 18.8 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.165 -0.517 . . . . 0.0 110.855 -178.151 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 12.5 p -127.31 139.42 51.96 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 176.238 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 407' ' ' PHE . . . . . 0.465 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 21.1 t80 -70.21 122.19 19.01 Favored 'General case' 0 N--CA 1.441 -0.923 0 CA-C-O 121.112 0.482 . . . . 0.0 109.767 -179.836 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 25.0 t30 -98.86 101.66 13.13 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 -178.72 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 4.2 p -68.06 -25.87 65.57 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.876 -175.729 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -63.24 -29.37 70.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.321 -178.782 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 6.5 t -121.49 2.31 10.18 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.163 0.506 . . . . 0.0 110.195 178.202 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 4.0 t30 51.59 67.8 0.9 Allowed 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.928 -179.224 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -170.35 153.36 4.36 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.483 175.014 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 414' ' ' CYS . . . . . 0.511 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 37.1 t -73.01 129.12 37.39 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 176.441 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 46.4 tt0 -147.53 154.79 41.17 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.841 0.353 . . . . 0.0 110.892 -173.138 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.586 HD22 ' HB3' ' A' ' 383' ' ' LYS . 44.7 tp -73.68 87.26 1.68 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 173.164 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 417' ' ' LYS . . . . . 0.596 ' HE3' HG11 ' A' ' 420' ' ' VAL . 31.9 tptt -133.13 12.46 4.25 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.499 -175.472 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 8.6 tmtm? -58.02 -39.46 78.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.247 -176.146 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 419' ' ' ASP . . . . . 0.447 ' O ' ' HG2' ' A' ' 423' ' ' LYS . 7.1 m-20 -75.8 -42.66 49.36 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.936 -176.396 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 420' ' ' VAL . . . . . 0.596 HG11 ' HE3' ' A' ' 417' ' ' LYS . 39.6 t -62.64 -46.75 95.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.994 -177.457 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -63.69 -39.86 95.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.155 0.502 . . . . 0.0 110.347 178.367 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -63.35 -41.69 98.86 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.764 -178.865 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 423' ' ' LYS . . . . . 0.447 ' HG2' ' O ' ' A' ' 419' ' ' ASP . 34.6 mmtp -77.98 -13.29 59.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.693 179.105 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 55.9 tp -86.52 -45.45 11.08 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.609 179.124 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -65.34 -49.76 68.18 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.662 -179.974 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 79.5 mttt 61.44 -80.61 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.504 0 O-C-N 123.845 0.715 . . . . 0.0 111.874 178.776 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -107.01 -61.71 1.51 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.604 0.716 . . . . 0.0 109.436 -173.956 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 20.3 m -149.05 -65.18 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.102 -0.954 . . . . 0.0 109.496 176.776 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 429' ' ' LYS . . . . . 0.569 ' HD3' HG23 ' A' ' 431' ' ' THR . 0.0 OUTLIER -159.48 -11.93 0.06 Allowed 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 113.002 0.741 . . . . 0.0 113.002 177.873 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 59.0 99.21 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.201 0.524 . . . . 0.0 111.562 -178.314 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 431' ' ' THR . . . . . 0.569 HG23 ' HD3' ' A' ' 429' ' ' LYS . 13.5 p -130.02 17.68 5.6 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 -179.456 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -72.7 107.91 5.42 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 171.847 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 108.77 16.49 11.6 Favored Glycine 0 N--CA 1.445 -0.702 0 N-CA-C 109.957 -1.257 . . . . 0.0 109.957 -168.703 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 7.0 mmmm -140.87 -71.96 0.36 Allowed 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.036 -0.582 . . . . 0.0 111.176 -178.83 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -122.82 -165.28 1.28 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.917 -167.079 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 69.61 -3.71 1.58 Allowed 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.816 -179.085 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 51.5 mttp -128.85 17.34 6.26 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 177.495 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . 68.52 156.85 0.13 Allowed 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.542 -176.753 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -134.2 96.12 3.55 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.524 -178.637 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 14.7 m -105.4 102.69 12.15 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.468 178.588 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 18.0 p -97.02 15.71 21.64 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.598 -177.451 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . 105.23 21.75 8.68 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.269 179.905 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 37.1 m . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.735 -0.65 . . . . 0.0 109.973 179.11 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 379' ' ' SER . . . . . 0.416 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 16.0 m . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.806 0.336 . . . . 0.0 111.426 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -75.85 -31.09 59.17 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.689 -0.404 . . . . 0.0 111.455 -177.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -59.01 -61.33 2.72 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-O 120.747 0.308 . . . . 0.0 110.919 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 382' ' ' ASN . . . . . 0.473 ' O ' HG13 ' A' ' 386' ' ' ILE . 2.9 p30 -64.46 -33.13 75.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.573 -176.3 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 383' ' ' LYS . . . . . 0.721 ' HA ' ' HE3' ' A' ' 383' ' ' LYS . 0.0 OUTLIER -63.25 -53.58 50.75 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 121.417 0.627 . . . . 0.0 109.442 178.402 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -59.6 -40.83 88.76 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.798 -1.092 . . . . 0.0 110.9 178.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -62.76 -39.93 95.69 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.704 -178.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 386' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 382' ' ' ASN . 89.8 mt -64.81 -40.68 89.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.249 0.547 . . . . 0.0 109.849 179.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 32.9 m -66.14 -44.78 83.22 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.551 176.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.7 -17.96 62.19 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.019 -177.407 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -68.34 -18.33 64.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.914 0.388 . . . . 0.0 110.707 176.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -92.28 -11.43 35.25 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 177.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? 56.98 -96.76 0.07 Allowed 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 114.615 -1.175 . . . . 0.0 111.804 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -131.67 18.32 4.73 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.935 0.398 . . . . 0.0 111.011 -175.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -81.11 110.0 16.2 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 173.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 394' ' ' GLN . . . . . 0.482 ' O ' ' HG2' ' A' ' 398' ' ' GLU . 64.9 tt0 -65.63 -48.72 71.26 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.316 -175.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -59.94 -42.0 93.05 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.678 0.275 . . . . 0.0 110.887 -176.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 396' ' ' ALA . . . . . 0.572 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -60.45 -39.73 88.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.121 0.486 . . . . 0.0 110.509 177.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 12.9 t -69.88 -38.2 76.29 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.377 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 398' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' A' ' 394' ' ' GLN . 10.9 mm-40 -57.96 -35.31 70.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.407 175.094 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -73.95 -31.46 63.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.623 176.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 78.7 mt -87.56 0.46 55.57 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.966 -179.523 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . 0.537 ' HA ' ' O ' ' A' ' 405' ' ' CYS . 4.1 tmtp? -56.97 -33.4 67.02 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.242 -178.28 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -66.05 -23.43 66.54 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.225 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 49.4 mttm -94.3 4.43 53.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.815 -174.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 99.84 11.55 43.12 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.756 177.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 405' ' ' CYS . . . . . 0.537 ' O ' ' HA ' ' A' ' 401' ' ' LYS . 90.8 m -94.68 130.68 41.08 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.993 0.425 . . . . 0.0 111.211 -179.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 9.5 p -129.93 130.8 66.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.133 178.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 407' ' ' PHE . . . . . 0.403 ' CD1' ' HA ' ' A' ' 394' ' ' GLN . 25.5 t80 -70.0 125.78 27.75 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-O 121.082 0.467 . . . . 0.0 109.842 177.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -106.35 108.64 20.26 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.501 -178.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 34.5 p -69.57 -25.73 64.13 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.607 -176.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -59.07 -49.87 76.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.63 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 13.2 m -95.26 -12.69 25.79 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.12 -178.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 60.28 68.56 0.76 Allowed 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.583 0.706 . . . . 0.0 110.574 -176.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -170.44 165.61 8.59 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.913 175.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 414' ' ' CYS . . . . . 0.501 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 42.2 t -83.82 116.02 22.53 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 174.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -120.42 158.33 27.43 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.122 -171.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.643 HD13 ' HB3' ' A' ' 383' ' ' LYS . 50.7 tp . . . . . 0 C--N 1.323 -0.575 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 178.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt . . . . . 0 CA--C 1.52 -0.178 0 CA-C-O 121.561 0.696 . . . . 0.0 109.839 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -55.31 -59.69 4.44 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.313 -1.312 . . . . 0.0 110.296 174.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 98.2 t -69.0 -36.72 75.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.672 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 421' ' ' LYS . . . . . 0.637 ' HA ' ' HE2' ' A' ' 421' ' ' LYS . 0.6 OUTLIER -56.16 -42.49 77.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.809 0.338 . . . . 0.0 111.344 -179.548 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -77.44 -44.01 30.49 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.557 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 40.2 mtpt -64.6 -30.51 71.53 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.679 -178.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 63.4 tp -78.62 -34.26 46.75 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.093 0.473 . . . . 0.0 110.138 175.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.441 -179.396 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 379' ' ' SER . . . . . 0.566 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 13.0 p . . . . . 0 N--CA 1.456 -0.126 0 N-CA-C 112.181 0.438 . . . . 0.0 112.181 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -62.02 -48.78 78.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.619 0.247 . . . . 0.0 111.553 -176.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -64.44 -54.6 30.05 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -174.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 382' ' ' ASN . . . . . 0.478 ' O ' HG13 ' A' ' 386' ' ' ILE . 2.4 p30 -72.99 -35.47 66.87 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.543 -173.253 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 383' ' ' LYS . . . . . 0.723 ' HB3' HD13 ' A' ' 416' ' ' LEU . 13.0 mptt -69.44 -45.72 68.45 Favored 'General case' 0 CA--C 1.515 -0.389 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.593 -179.238 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -55.42 -41.32 72.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.867 0.365 . . . . 0.0 110.261 176.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -63.07 -41.3 99.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.653 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 386' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 382' ' ' ASN . 85.9 mt -67.37 -47.3 81.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.224 0.535 . . . . 0.0 109.843 179.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 57.9 m -61.99 -41.32 97.91 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.854 178.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -74.71 -21.14 59.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.979 -177.447 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -70.9 -19.45 62.6 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.877 0.37 . . . . 0.0 110.889 175.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -86.08 -13.89 45.94 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 176.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp 54.87 -115.3 0.94 Allowed 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 114.361 -1.291 . . . . 0.0 112.394 177.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 392' ' ' ASP . . . . . 0.594 ' HA ' ' HA ' ' A' ' 413' ' ' LYS . 3.9 m-20 -115.3 16.48 16.8 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.987 -171.178 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 52.6 t-20 -87.66 111.95 21.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.88 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 394' ' ' GLN . . . . . 0.519 ' HA ' ' CD1' ' A' ' 407' ' ' PHE . 64.3 tt0 -61.17 -50.59 72.53 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.235 -179.189 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 395' ' ' LYS . . . . . 0.445 ' HA ' ' HD3' ' A' ' 395' ' ' LYS . 66.6 mmtt -65.68 -40.29 92.22 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.7 -174.34 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 396' ' ' ALA . . . . . 0.533 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -60.68 -38.7 85.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.081 0.467 . . . . 0.0 110.189 176.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 32.4 t -69.14 -45.31 70.42 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.479 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 398' ' ' GLU . . . . . 0.425 ' HG3' ' O ' ' A' ' 394' ' ' GLN . 42.5 mt-10 -57.79 -31.28 66.4 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.07 178.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -67.81 -56.96 7.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.872 178.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 1.6 pp -85.4 11.8 9.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.024 0.44 . . . . 0.0 111.605 -177.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . 0.416 ' HG2' ' O ' ' A' ' 405' ' ' CYS . 1.7 tmtp? -57.09 -30.3 64.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.131 176.088 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -63.13 -26.89 69.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.354 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -77.28 -63.49 1.36 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.782 -176.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 179.64 25.81 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.148 -1.025 . . . . 0.0 112.555 177.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 405' ' ' CYS . . . . . 0.523 ' HB3' ' SG ' ' A' ' 414' ' ' CYS . 79.6 m -118.14 149.58 40.81 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.783 -176.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 10.3 p -142.08 137.9 30.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 176.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 407' ' ' PHE . . . . . 0.519 ' CD1' ' HA ' ' A' ' 394' ' ' GLN . 23.6 t80 -75.62 124.79 27.83 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-O 121.343 0.592 . . . . 0.0 110.093 -179.443 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 28.8 t30 -102.88 109.74 21.41 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.69 -178.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 1.8 p -68.46 -18.37 64.4 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.837 -0.62 . . . . 0.0 112.127 -175.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -67.16 -55.06 15.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.21 0.528 . . . . 0.0 110.015 174.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 8.6 t -88.81 7.31 34.73 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.328 -176.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 45.7 33.05 1.34 Allowed 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.218 1.007 . . . . 0.0 112.626 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 413' ' ' LYS . . . . . 0.594 ' HA ' ' HA ' ' A' ' 392' ' ' ASP . 0.1 OUTLIER -149.03 176.58 10.33 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 121.077 -0.249 . . . . 0.0 110.616 -177.58 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 414' ' ' CYS . . . . . 0.523 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 49.9 t -94.81 125.71 39.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.289 -178.153 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -130.3 175.0 9.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.204 0.526 . . . . 0.0 111.402 -177.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.723 HD13 ' HB3' ' A' ' 383' ' ' LYS . 26.8 tp . . . . . 0 C--N 1.326 -0.45 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.922 -178.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 27.6 ttmt . . . . . 0 CA--C 1.513 -0.467 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -59.04 -45.28 91.15 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.78 -1.1 . . . . 0.0 109.649 175.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 420' ' ' VAL . . . . . 0.46 ' O ' ' HG ' ' A' ' 424' ' ' LEU . 61.8 t -64.82 -51.12 71.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 114.997 -1.001 . . . . 0.0 110.438 179.406 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 17.3 ttmt -62.6 -34.95 78.03 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.085 -177.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -61.03 -43.05 99.47 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.665 -178.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 31.7 mtmm -78.17 -18.75 55.15 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 120.847 0.356 . . . . 0.0 111.856 178.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 424' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 420' ' ' VAL . 87.2 mt -83.82 -44.5 14.28 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.839 0.352 . . . . 0.0 110.164 177.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.34 176.697 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 379' ' ' SER . . . . . 0.63 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 12.3 m . . . . . 0 CA--C 1.53 0.202 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -67.85 -34.61 77.03 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.778 0.323 . . . . 0.0 111.307 -178.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -68.08 -53.13 27.76 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.344 -176.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 382' ' ' ASN . . . . . 0.533 ' O ' HG13 ' A' ' 386' ' ' ILE . 1.6 p30 -73.34 -30.25 63.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 -175.355 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 383' ' ' LYS . . . . . 0.63 ' HB2' ' O ' ' A' ' 379' ' ' SER . 11.8 tptt -67.08 -48.65 67.56 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 121.348 0.595 . . . . 0.0 109.686 -177.296 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 384' ' ' GLU . . . . . 0.431 ' HA ' ' HB2' ' A' ' 416' ' ' LEU . 8.8 tp10 -60.54 -39.4 87.77 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.915 -1.039 . . . . 0.0 110.348 178.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 2.0 tmtm? -62.7 -38.53 90.77 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.237 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 386' ' ' ILE . . . . . 0.533 HG13 ' O ' ' A' ' 382' ' ' ASN . 89.2 mt -61.75 -40.02 85.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.543 0.687 . . . . 0.0 109.898 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 32.8 m -71.62 -40.45 69.79 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.787 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.53 -17.47 63.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.446 -179.539 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -68.17 -19.62 64.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.884 0.373 . . . . 0.0 111.096 176.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 390' ' ' ALA . . . . . 0.415 ' HB2' HD21 ' A' ' 400' ' ' LEU . . . -87.32 -22.05 25.35 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.282 0.563 . . . . 0.0 109.745 177.297 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 90.7 mttt 61.29 -96.64 0.06 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 114.802 -1.09 . . . . 0.0 111.925 176.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 392' ' ' ASP . . . . . 0.449 ' HA ' ' HA ' ' A' ' 413' ' ' LYS . 9.1 p-10 -122.15 2.54 9.82 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.931 0.396 . . . . 0.0 110.755 -176.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -80.47 106.25 12.34 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.962 0.41 . . . . 0.0 110.09 -176.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -61.17 -42.05 97.88 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.181 -179.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 18.3 mtpp -61.96 -50.56 71.63 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 -178.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 396' ' ' ALA . . . . . 0.61 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -60.18 -37.48 80.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.623 -179.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 397' ' ' CYS . . . . . 0.424 ' HA ' HD11 ' A' ' 400' ' ' LEU . 42.5 t -62.82 -51.87 65.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.543 179.182 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -63.13 -18.23 63.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.249 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 399' ' ' ASN . . . . . 0.416 HD22 ' HA ' ' A' ' 396' ' ' ALA . 93.3 m-20 -75.69 -45.96 33.91 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-O 120.771 0.319 . . . . 0.0 110.744 175.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.61 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 1.4 pp -97.56 15.07 24.42 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.426 0.631 . . . . 0.0 110.805 -179.131 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 3.3 tmtp? -51.65 -25.73 7.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.621 -1.172 . . . . 0.0 112.014 178.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -62.06 -23.14 66.31 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.351 -0.84 . . . . 0.0 112.14 -174.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 403' ' ' LYS . . . . . 0.478 ' HD2' ' N ' ' A' ' 403' ' ' LYS . 11.1 mptt -88.58 -4.13 58.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.757 0.313 . . . . 0.0 111.708 -173.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 111.63 8.9 22.15 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.949 -0.643 . . . . 0.0 111.54 -179.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 54.3 m -87.09 126.83 35.02 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.219 -0.49 . . . . 0.0 110.837 -177.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 28.3 m -124.01 146.11 30.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 176.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 407' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -83.63 128.42 34.51 Favored 'General case' 0 N--CA 1.435 -1.218 0 C-N-CA 120.305 -0.558 . . . . 0.0 109.763 177.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -104.12 103.86 13.71 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.295 -179.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 34.1 p -66.75 -27.09 67.32 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.935 -173.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -59.21 -56.72 18.5 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.119 0.485 . . . . 0.0 110.624 -179.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 23.2 t -88.23 -11.04 47.8 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.767 -177.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 59.52 73.04 0.5 Allowed 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.65 0.738 . . . . 0.0 110.058 -173.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 413' ' ' LYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 392' ' ' ASP . 22.0 ptmt -165.91 158.87 15.27 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.098 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 414' ' ' CYS . . . . . . . . . . . . . 46.3 t -99.52 127.05 45.58 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 171.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -139.91 160.48 39.82 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.626 HD22 ' HB3' ' A' ' 383' ' ' LYS . 34.9 tp . . . . . 0 C--N 1.321 -0.665 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 176.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 24.9 mtmm . . . . . 0 CA--C 1.518 -0.282 0 CA-C-O 121.463 0.649 . . . . 0.0 110.663 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 419' ' ' ASP . . . . . 0.61 ' O ' ' HG3' ' A' ' 423' ' ' LYS . 2.7 t70 -59.71 -54.1 50.32 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.603 -1.181 . . . . 0.0 111.092 175.421 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 91.8 t -78.39 -31.93 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.231 -178.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 421' ' ' LYS . . . . . 0.77 ' HA ' ' HE2' ' A' ' 421' ' ' LYS . 0.6 OUTLIER -55.86 -46.31 78.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.941 176.176 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -61.81 -46.31 90.07 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.619 176.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 423' ' ' LYS . . . . . 0.61 ' HG3' ' O ' ' A' ' 419' ' ' ASP . 55.5 mttm -64.49 -21.65 66.74 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.037 0.446 . . . . 0.0 111.478 -178.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 41.6 tp -82.52 -36.52 26.29 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.586 -178.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 425' ' ' GLU . . . . . 0.437 ' OE2' ' HG3' ' A' ' 421' ' ' LYS . 8.5 pt-20 . . . . . 0 C--N 1.33 -0.27 0 CA-C-O 120.984 0.421 . . . . 0.0 110.854 178.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 CA--C 1.534 0.352 0 CA-C-O 121.228 0.537 . . . . 0.0 110.78 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -63.64 -39.61 94.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.011 0.434 . . . . 0.0 110.511 179.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -63.97 -55.45 22.33 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.815 -177.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 382' ' ' ASN . . . . . 0.603 ' O ' HG13 ' A' ' 386' ' ' ILE . 0.1 OUTLIER -72.04 -13.42 61.6 Favored 'General case' 0 C--O 1.224 -0.285 0 C-N-CA 120.382 -0.527 . . . . 0.0 112.153 -173.229 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 383' ' ' LYS . . . . . 0.458 ' HB3' HD22 ' A' ' 416' ' ' LEU . 3.1 mptp? -70.76 -49.48 46.3 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 171.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -63.75 -35.0 79.14 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.873 -1.058 . . . . 0.0 109.345 177.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 42.1 tptt -61.99 -41.63 98.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.085 -0.961 . . . . 0.0 111.332 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 386' ' ' ILE . . . . . 0.603 HG13 ' O ' ' A' ' 382' ' ' ASN . 85.2 mt -63.76 -39.63 86.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 121.384 0.611 . . . . 0.0 109.613 -179.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 387' ' ' CYS . . . . . 0.549 ' O ' ' HB3' ' A' ' 414' ' ' CYS . 58.9 m -63.9 -45.51 89.04 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.622 175.288 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.58 -23.8 66.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 -178.152 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -75.78 -27.66 58.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.575 177.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -83.44 -31.92 26.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.878 0.371 . . . . 0.0 110.645 -177.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt 63.63 -95.84 0.05 OUTLIER 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.467 -0.788 . . . . 0.0 112.286 172.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -118.09 -0.82 11.52 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 120.441 0.163 . . . . 0.0 111.225 -174.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -77.62 93.26 4.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.089 0.471 . . . . 0.0 110.066 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 394' ' ' GLN . . . . . 0.477 ' O ' ' HG2' ' A' ' 398' ' ' GLU . 44.9 tt0 -64.35 -37.42 87.43 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.87 -173.056 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -56.61 -43.5 80.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.606 0.241 . . . . 0.0 111.097 179.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 396' ' ' ALA . . . . . 0.732 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -61.63 -44.8 96.31 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 177.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 397' ' ' CYS . . . . . 0.576 ' HA ' HD11 ' A' ' 400' ' ' LEU . 85.4 m -61.69 -39.36 91.16 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.939 -1.028 . . . . 0.0 111.622 -179.378 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 398' ' ' GLU . . . . . 0.477 ' HG2' ' O ' ' A' ' 394' ' ' GLN . 27.9 mm-40 -59.04 -36.74 75.51 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.0 0.429 . . . . 0.0 110.531 175.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -75.72 -57.3 3.96 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.083 -178.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.732 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 2.5 pp -78.26 6.39 8.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.557 -176.018 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . 0.506 ' HG2' ' O ' ' A' ' 405' ' ' CYS . 8.3 tmtm? -58.57 -33.67 70.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.389 0.614 . . . . 0.0 109.569 173.613 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -80.24 -2.66 46.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.641 -178.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -106.15 14.83 27.14 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.18 0.514 . . . . 0.0 110.455 -178.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 93.79 65.64 1.05 Allowed Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.544 -179.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 405' ' ' CYS . . . . . 0.506 ' O ' ' HG2' ' A' ' 401' ' ' LYS . 8.1 t -170.38 167.55 8.28 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 -179.385 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 12.1 p -162.11 137.71 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 172.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 407' ' ' PHE . . . . . 0.495 ' HD2' ' SG ' ' A' ' 397' ' ' CYS . 25.5 t80 -70.65 123.7 22.5 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 177.196 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -98.72 108.19 20.82 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 18.8 p -76.5 -13.37 60.1 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.628 -175.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -69.54 -44.99 69.83 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.731 -177.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 12.9 p -103.39 -1.45 28.58 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.256 0.55 . . . . 0.0 109.942 174.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 4.2 t30 55.65 70.43 0.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.77 -1.105 . . . . 0.0 110.943 -179.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -162.02 155.16 20.53 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.562 179.182 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 414' ' ' CYS . . . . . 0.549 ' HB3' ' O ' ' A' ' 387' ' ' CYS . 0.1 OUTLIER -69.87 117.83 11.95 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.667 168.186 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -135.46 141.37 45.35 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.053 0.454 . . . . 0.0 110.955 -176.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.548 HD21 ' HD3' ' A' ' 421' ' ' LYS . 19.3 tp . . . . . 0 C--N 1.319 -0.749 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 175.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 418' ' ' LYS . . . . . 0.596 ' O ' ' HB2' ' A' ' 422' ' ' GLU . 51.4 mtpt . . . . . 0 N--CA 1.451 -0.393 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -63.17 -64.58 0.87 Allowed 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.651 0.739 . . . . 0.0 109.685 173.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 420' ' ' VAL . . . . . 0.428 ' O ' HD23 ' A' ' 424' ' ' LEU . 44.4 t -61.45 -42.75 95.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 114.715 -1.129 . . . . 0.0 110.372 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 421' ' ' LYS . . . . . 0.548 ' HD3' HD21 ' A' ' 416' ' ' LEU . 15.2 ttpp -60.62 -32.05 71.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.628 -179.451 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 422' ' ' GLU . . . . . 0.596 ' HB2' ' O ' ' A' ' 418' ' ' LYS . 6.5 tp10 -66.62 -52.25 47.19 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.395 -177.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 18.0 ttpp -75.45 -21.56 58.03 Favored 'General case' 0 C--O 1.225 -0.19 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.498 -176.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 424' ' ' LEU . . . . . 0.428 HD23 ' O ' ' A' ' 420' ' ' VAL . 3.9 mm? -78.45 -45.47 22.11 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.196 0.522 . . . . 0.0 110.108 177.198 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 . . . . . 0 C--N 1.322 -0.602 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.465 174.265 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 379' ' ' SER . . . . . 0.476 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 5.9 m . . . . . 0 N--CA 1.455 -0.177 0 CA-C-O 120.954 0.407 . . . . 0.0 111.283 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -67.7 -34.99 77.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.395 -177.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -66.38 -56.96 8.54 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.663 -176.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 382' ' ' ASN . . . . . 0.562 ' O ' HG13 ' A' ' 386' ' ' ILE . 1.2 p30 -66.91 -32.09 73.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.322 -175.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 383' ' ' LYS . . . . . 0.684 ' HB3' HD13 ' A' ' 416' ' ' LEU . 0.3 OUTLIER -70.53 -45.28 65.84 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 -179.462 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 384' ' ' GLU . . . . . 0.5 ' HA ' ' HB2' ' A' ' 416' ' ' LEU . 7.1 tp10 -53.78 -47.68 70.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.67 174.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -60.46 -37.36 80.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.173 -0.921 . . . . 0.0 111.841 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 386' ' ' ILE . . . . . 0.562 HG13 ' O ' ' A' ' 382' ' ' ASN . 77.2 mt -62.93 -42.72 97.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.448 0.642 . . . . 0.0 109.624 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 30.0 m -72.03 -37.53 69.72 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 114.946 -1.024 . . . . 0.0 110.827 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -71.48 -21.68 61.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.832 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -66.05 -14.12 61.16 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 120.787 0.327 . . . . 0.0 111.804 177.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -91.07 -21.54 21.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.087 0.47 . . . . 0.0 110.031 176.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 13.9 mtpp 57.12 -103.98 0.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.25 -0.886 . . . . 0.0 112.561 178.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -103.13 -7.92 20.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.817 -174.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -80.92 94.47 6.51 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.062 0.458 . . . . 0.0 109.809 -177.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -60.87 -46.03 92.22 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.064 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -61.05 -45.23 95.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.033 -175.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 396' ' ' ALA . . . . . 0.525 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -62.25 -36.56 82.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.035 0.445 . . . . 0.0 110.425 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 397' ' ' CYS . . . . . 0.54 ' HA ' HD11 ' A' ' 400' ' ' LEU . 1.9 t -75.18 -36.37 61.47 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.302 -179.059 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -62.44 -25.16 67.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.937 0.398 . . . . 0.0 110.549 175.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -76.55 -51.23 12.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.858 177.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.54 HD11 ' HA ' ' A' ' 397' ' ' CYS . 1.6 pp -86.66 14.36 7.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.417 0.627 . . . . 0.0 110.593 178.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . 0.594 ' HG3' ' O ' ' A' ' 405' ' ' CYS . 66.0 tttt -59.01 -15.03 11.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.89 175.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -53.43 -27.74 26.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.549 174.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 403' ' ' LYS . . . . . 0.404 ' HD2' ' N ' ' A' ' 403' ' ' LYS . 3.3 mptp? -85.84 -8.61 57.97 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.794 0.331 . . . . 0.0 111.287 -178.594 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 404' ' ' GLY . . . . . 0.466 ' O ' HD12 ' A' ' 416' ' ' LEU . . . 99.01 52.61 1.25 Allowed Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.878 -0.677 . . . . 0.0 111.919 -177.301 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 405' ' ' CYS . . . . . 0.594 ' O ' ' HG3' ' A' ' 401' ' ' LYS . 92.1 m -115.91 117.73 30.98 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.905 0.383 . . . . 0.0 110.777 -177.349 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 57.3 t -117.12 116.52 52.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.189 -177.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 407' ' ' PHE . . . . . 0.818 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 26.5 t80 -61.06 121.05 11.49 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 175.347 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 408' ' ' ASN . . . . . 0.505 ' ND2' ' HB3' ' A' ' 410' ' ' GLU . 65.5 t30 -109.74 105.6 14.91 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.41 -173.181 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 10.6 p -62.52 -21.29 65.42 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.042 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 410' ' ' GLU . . . . . 0.505 ' HB3' ' ND2' ' A' ' 408' ' ' ASN . 26.6 tp10 -58.08 -39.75 79.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.527 176.537 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 15.2 m -106.48 -9.76 16.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.085 179.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 7.8 t30 71.98 15.84 5.55 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 121.813 0.816 . . . . 0.0 110.33 178.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -136.29 162.08 33.99 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 178.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 414' ' ' CYS . . . . . 0.818 ' HA ' ' HA ' ' A' ' 407' ' ' PHE . 16.4 t -82.28 128.66 34.42 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 120.234 -0.587 . . . . 0.0 109.559 176.467 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -124.24 174.69 7.53 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.842 -177.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.684 HD13 ' HB3' ' A' ' 383' ' ' LYS . 57.9 tp . . . . . 0 C--N 1.323 -0.572 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.152 176.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 418' ' ' LYS . . . . . 0.65 ' HA ' ' HB2' ' A' ' 421' ' ' LYS . 58.1 pttt . . . . . 0 C--O 1.225 -0.211 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -64.52 -43.73 93.11 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 168.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 420' ' ' VAL . . . . . 0.423 ' HA ' ' HG2' ' A' ' 423' ' ' LYS . 46.4 t -77.59 -37.93 25.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.265 178.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 421' ' ' LYS . . . . . 0.65 ' HB2' ' HA ' ' A' ' 418' ' ' LYS . 27.9 mtpp -60.42 -43.67 96.52 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.933 178.533 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -60.58 -57.25 13.54 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.716 177.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 423' ' ' LYS . . . . . 0.423 ' HG2' ' HA ' ' A' ' 420' ' ' VAL . 20.1 ptmt -66.27 -16.65 64.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.269 -0.423 . . . . 0.0 112.055 -173.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 57.7 tp -88.44 -42.91 11.84 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.756 0.313 . . . . 0.0 111.038 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 . . . . . 0 C--N 1.326 -0.434 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.322 -173.933 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 18.1 m . . . . . 0 N--CA 1.454 -0.26 0 CA-C-O 120.984 0.421 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -71.03 -37.86 72.6 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.245 176.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -58.77 -54.15 50.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.973 -177.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 382' ' ' ASN . . . . . 0.474 ' O ' HG13 ' A' ' 386' ' ' ILE . 3.4 p30 -73.52 -31.12 63.52 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.921 -175.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 383' ' ' LYS . . . . . 0.437 ' HB3' HD13 ' A' ' 416' ' ' LEU . 13.3 mptt -71.88 -35.14 69.67 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 120.96 0.41 . . . . 0.0 109.962 177.108 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -58.3 -44.27 88.45 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.643 173.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 385' ' ' LYS . . . . . 0.509 ' HD3' ' O ' ' A' ' 385' ' ' LYS . 1.4 tmtp? -63.93 -32.86 74.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.521 -179.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 386' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 382' ' ' ASN . 71.5 mt -63.43 -44.98 99.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.334 0.588 . . . . 0.0 109.541 178.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 35.4 m -71.33 -39.92 71.08 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.588 178.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.02 -19.3 64.89 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 179.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -71.11 -18.4 62.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.87 0.367 . . . . 0.0 110.685 176.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -86.75 -15.95 37.87 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 175.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp 57.53 -141.15 0.78 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 114.662 -1.153 . . . . 0.0 111.152 175.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 392' ' ' ASP . . . . . 0.601 ' HA ' ' HA ' ' A' ' 413' ' ' LYS . 6.7 p-10 -86.16 5.85 32.08 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.086 -179.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -84.76 102.03 12.7 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.159 0.504 . . . . 0.0 109.993 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -65.34 -34.45 78.36 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.959 -175.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -57.16 -46.52 82.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.764 178.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 396' ' ' ALA . . . . . 0.47 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -64.57 -40.11 94.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.492 178.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 27.2 t -60.71 -48.46 81.68 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.56 179.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -60.98 -27.45 68.3 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.502 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -70.07 -36.88 75.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.935 0.398 . . . . 0.0 111.016 178.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 1.7 pp -111.26 20.6 17.18 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.404 0.621 . . . . 0.0 110.984 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 4.9 tmtp? -54.76 -42.54 71.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.875 -1.057 . . . . 0.0 111.837 -178.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -63.93 -15.39 59.03 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.889 -177.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -80.93 3.15 23.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.747 0.308 . . . . 0.0 111.196 -179.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 100.06 12.59 39.24 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.052 179.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 405' ' ' CYS . . . . . 0.629 ' HB3' ' SG ' ' A' ' 414' ' ' CYS . 96.4 m -98.94 118.28 35.36 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.006 0.431 . . . . 0.0 110.552 -178.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 59.8 t -120.87 125.26 73.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.832 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 407' ' ' PHE . . . . . 0.59 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 26.2 t80 -66.26 123.03 18.83 Favored 'General case' 0 N--CA 1.44 -0.928 0 CA-C-O 121.051 0.453 . . . . 0.0 109.785 177.266 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -99.74 112.98 25.18 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.364 -179.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 21.3 p -71.61 -12.22 61.24 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.624 -174.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -73.53 -60.01 2.45 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 92.0 p -83.74 -12.93 55.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.79 0.329 . . . . 0.0 110.359 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 6.8 t30 61.62 69.39 0.65 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.881 -178.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 413' ' ' LYS . . . . . 0.601 ' HA ' ' HA ' ' A' ' 392' ' ' ASP . 26.0 pttm -174.79 165.89 3.66 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.235 173.219 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 414' ' ' CYS . . . . . 0.629 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 36.6 t -83.19 117.71 23.1 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.03 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -122.47 154.66 37.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.929 0.395 . . . . 0.0 110.861 -176.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.437 HD13 ' HB3' ' A' ' 383' ' ' LYS . 60.6 tp . . . . . 0 C--N 1.324 -0.53 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 176.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 418' ' ' LYS . . . . . 0.489 ' O ' ' HB2' ' A' ' 422' ' ' GLU . 38.8 mtpt . . . . . 0 CA--C 1.516 -0.351 0 CA-C-O 121.042 0.449 . . . . 0.0 110.576 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 419' ' ' ASP . . . . . 0.447 ' O ' ' HE3' ' A' ' 423' ' ' LYS . 21.7 t70 -81.31 -43.34 19.24 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.84 -178.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 58.5 t -56.85 -52.78 50.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.965 176.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 56.2 mttm -64.91 -30.63 71.64 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.667 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 422' ' ' GLU . . . . . 0.489 ' HB2' ' O ' ' A' ' 418' ' ' LYS . 6.2 tp10 -64.35 -48.62 74.83 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 120.814 -0.355 . . . . 0.0 110.591 -179.177 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 423' ' ' LYS . . . . . 0.447 ' HE3' ' O ' ' A' ' 419' ' ' ASP . 0.0 OUTLIER -83.25 -22.79 32.97 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.824 0.345 . . . . 0.0 111.639 -178.533 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 8.2 tt -82.51 -63.21 1.42 Allowed 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 178.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.563 -177.087 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 379' ' ' SER . . . . . 0.416 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 62.6 p . . . . . 0 C--O 1.226 -0.163 0 CA-C-O 120.36 0.124 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -53.2 -51.54 61.77 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.828 176.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -60.66 -53.6 55.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.843 179.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 382' ' ' ASN . . . . . 0.551 ' O ' HG13 ' A' ' 386' ' ' ILE . 14.4 m-80 -60.46 -50.8 72.14 Favored 'General case' 0 CA--C 1.509 -0.628 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.348 -176.328 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 383' ' ' LYS . . . . . 0.798 ' HB3' HD13 ' A' ' 416' ' ' LEU . 13.8 mptt -64.66 -41.44 96.1 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.847 -174.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -58.83 -46.57 87.37 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.657 173.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 30.9 mmtm -72.88 -18.5 61.42 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.543 -0.753 . . . . 0.0 112.603 -176.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 386' ' ' ILE . . . . . 0.551 HG13 ' O ' ' A' ' 382' ' ' ASN . 96.6 mt -72.96 -46.3 52.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 172.624 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 20.2 m -70.26 -40.18 74.55 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.071 177.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -69.12 -29.11 67.1 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.669 -178.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -62.63 -20.2 64.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.822 0.344 . . . . 0.0 111.306 174.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -82.28 -31.1 30.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.085 0.469 . . . . 0.0 109.77 179.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 57.1 mttm 60.8 -124.86 0.96 Allowed 'General case' 0 C--O 1.234 0.269 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.559 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -83.92 -16.55 43.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.554 -176.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -72.32 98.58 2.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.849 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 394' ' ' GLN . . . . . 0.507 ' O ' ' HG2' ' A' ' 398' ' ' GLU . 37.4 tt0 -69.98 -41.55 74.28 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.81 -178.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 59.6 mmtt -53.64 -49.55 67.66 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 123.197 0.311 . . . . 0.0 111.397 -179.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -58.19 -41.76 84.62 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-O 121.394 0.616 . . . . 0.0 110.279 178.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 397' ' ' CYS . . . . . 0.417 ' O ' ' HB2' ' A' ' 401' ' ' LYS . 44.0 t -63.08 -49.2 75.42 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.089 -0.959 . . . . 0.0 110.435 177.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 398' ' ' GLU . . . . . 0.507 ' HG2' ' O ' ' A' ' 394' ' ' GLN . 33.8 mm-40 -49.37 -32.49 11.55 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 123.477 0.486 . . . . 0.0 111.757 178.356 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -67.2 -56.04 11.54 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.901 0.381 . . . . 0.0 110.835 176.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.456 HD13 HG22 ' A' ' 386' ' ' ILE . 2.9 pp -91.06 12.47 19.75 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.129 0.49 . . . . 0.0 111.772 -175.114 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . 0.575 ' HA ' ' HB2' ' A' ' 405' ' ' CYS . 69.5 tttt -68.06 -22.52 64.93 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.79 -171.197 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -66.27 -14.42 61.95 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.324 -176.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -81.93 -8.61 59.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.957 0.408 . . . . 0.0 110.791 178.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 118.13 48.58 0.39 Allowed Glycine 0 N--CA 1.443 -0.857 0 C-N-CA 120.421 -0.895 . . . . 0.0 113.065 176.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 405' ' ' CYS . . . . . 0.575 ' HB2' ' HA ' ' A' ' 401' ' ' LYS . 94.2 m -111.4 145.62 38.61 Favored 'General case' 0 C--N 1.319 -0.737 0 O-C-N 122.542 -0.387 . . . . 0.0 110.468 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 7.6 p -138.84 123.37 21.01 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 174.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 407' ' ' PHE . . . . . 0.663 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 16.7 t80 -74.22 113.09 11.02 Favored 'General case' 0 N--CA 1.439 -1.021 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 179.091 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -99.77 109.69 22.11 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.401 -175.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 15.6 p -67.93 -17.17 64.38 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.532 -176.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -76.43 -21.16 56.3 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.281 -178.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 15.3 m -114.29 -7.3 12.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.937 174.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 5.2 t30 55.01 59.52 3.99 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.122 -0.945 . . . . 0.0 110.624 -177.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 4.3 ptpp? -179.28 166.14 1.48 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.942 176.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 414' ' ' CYS . . . . . 0.663 ' HA ' ' HA ' ' A' ' 407' ' ' PHE . 0.5 OUTLIER -83.72 121.37 27.19 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.175 0.512 . . . . 0.0 111.074 178.261 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -116.34 171.85 7.57 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.988 178.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.798 HD13 ' HB3' ' A' ' 383' ' ' LYS . 38.2 tp . . . . . 0 C--N 1.325 -0.458 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.585 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 18.7 ttpp . . . . . 0 C--O 1.222 -0.342 0 CA-C-O 120.758 0.313 . . . . 0.0 110.603 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -65.96 -39.62 90.57 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.59 -177.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 50.0 t -59.51 -46.93 92.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.574 179.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 22.4 ttpp -70.98 -45.3 64.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.292 0.568 . . . . 0.0 110.526 179.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -55.53 -56.02 25.08 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.804 -1.089 . . . . 0.0 111.07 -178.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 423' ' ' LYS . . . . . 0.46 ' HB2' ' NZ ' ' A' ' 423' ' ' LYS . 4.8 ttmp? -67.4 -32.68 73.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.859 -177.367 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 55.5 tp -67.29 -45.08 77.62 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.264 179.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 . . . . . 0 C--N 1.324 -0.508 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.716 179.726 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 379' ' ' SER . . . . . 0.511 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 16.4 t . . . . . 0 N--CA 1.455 -0.215 0 CA-C-O 120.85 0.357 . . . . 0.0 110.7 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -64.5 -40.79 96.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.961 -178.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.21 -57.61 7.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.867 -176.25 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 382' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -65.9 -37.95 87.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.042 -174.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 383' ' ' LYS . . . . . 0.511 ' HB2' ' O ' ' A' ' 379' ' ' SER . 12.9 mptt -64.81 -47.07 79.37 Favored 'General case' 0 CA--C 1.519 -0.22 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.345 179.601 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 384' ' ' GLU . . . . . 0.445 ' OE1' ' HB2' ' A' ' 415' ' ' GLU . 8.2 mm-40 -52.09 -48.83 64.52 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.303 174.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.18 -46.26 79.44 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.709 -179.304 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 386' ' ' ILE . . . . . . . . . . . . . 81.7 mt -65.73 -44.27 93.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.342 0.592 . . . . 0.0 110.186 -178.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 63.5 m -64.76 -39.04 92.96 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.862 178.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.33 -21.91 62.86 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.763 -179.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -65.84 -19.1 65.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.422 177.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -81.99 -24.48 35.42 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.288 0.566 . . . . 0.0 109.503 177.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? 57.73 -105.86 0.28 Allowed 'General case' 0 C--O 1.232 0.175 0 CA-C-N 114.819 -1.082 . . . . 0.0 112.107 175.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -104.46 -13.91 15.89 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.779 -1.1 . . . . 0.0 111.128 -172.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -85.05 99.26 10.91 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.175 -175.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -59.12 -38.19 79.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.173 -177.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 395' ' ' LYS . . . . . 0.425 ' HD3' ' HA ' ' A' ' 395' ' ' LYS . 71.6 mmtt -61.92 -33.45 74.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.787 -0.188 . . . . 0.0 111.405 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 396' ' ' ALA . . . . . 0.461 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -67.76 -42.16 82.21 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.031 0.444 . . . . 0.0 109.934 175.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 38.4 t -60.45 -42.79 96.87 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.753 176.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -57.57 -37.4 73.08 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.414 177.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -65.52 -41.46 93.11 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.436 -178.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 1.5 pp -108.18 16.18 23.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.001 0.429 . . . . 0.0 111.512 -177.675 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . 0.601 ' HG2' ' O ' ' A' ' 405' ' ' CYS . 5.4 tmtt? -58.69 -29.62 66.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.223 -176.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -57.16 -36.25 70.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.602 -179.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 403' ' ' LYS . . . . . 0.409 ' HD2' ' N ' ' A' ' 403' ' ' LYS . 0.7 OUTLIER -75.99 7.58 3.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.858 -173.02 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 404' ' ' GLY . . . . . 0.464 ' O ' HD12 ' A' ' 416' ' ' LEU . . . 108.9 8.92 27.22 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.838 175.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 405' ' ' CYS . . . . . 0.681 ' HB3' ' SG ' ' A' ' 414' ' ' CYS . 71.0 m -87.99 148.29 24.61 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-O 120.91 0.386 . . . . 0.0 110.696 -178.643 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 8.8 p -148.54 134.47 11.89 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 174.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 407' ' ' PHE . . . . . 0.535 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 29.4 t80 -89.18 127.16 35.72 Favored 'General case' 0 N--CA 1.439 -1.021 0 CA-C-O 121.063 0.459 . . . . 0.0 110.343 -178.19 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -100.07 108.81 21.06 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 175.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.02 -18.85 62.57 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -177.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -67.62 -66.35 0.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.51 178.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 27.0 m -74.81 -18.73 60.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.901 0.382 . . . . 0.0 110.606 177.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 7.3 t30 67.08 74.88 0.32 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.389 178.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -176.29 155.28 1.46 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.736 169.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 414' ' ' CYS . . . . . 0.681 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 52.2 t -91.36 132.94 35.86 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 176.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 415' ' ' GLU . . . . . 0.445 ' HB2' ' OE1' ' A' ' 384' ' ' GLU . 11.3 pt-20 -145.31 174.07 11.43 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.634 0.254 . . . . 0.0 110.758 -179.447 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.656 ' HB3' ' HE3' ' A' ' 418' ' ' LYS . 55.0 tp . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.394 179.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 418' ' ' LYS . . . . . 0.656 ' HE3' ' HB3' ' A' ' 416' ' ' LEU . 2.6 mptt . . . . . 0 CA--C 1.517 -0.326 0 CA-C-O 121.286 0.565 . . . . 0.0 109.742 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -59.73 -46.47 89.01 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.655 -1.157 . . . . 0.0 111.083 -177.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 95.8 t -70.77 -46.57 68.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.196 -178.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 19.5 ttpp -64.51 -41.73 96.24 Favored 'General case' 0 CA--C 1.52 -0.197 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.606 -177.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -61.93 -40.97 97.35 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.488 -177.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 40.7 tptt -77.41 -22.2 51.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.976 0.417 . . . . 0.0 111.423 -176.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 42.7 tp -92.88 -41.09 10.25 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.879 -177.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 . . . . . 0 C--N 1.325 -0.464 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.355 -177.914 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 379' ' ' SER . . . . . 0.439 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 36.5 m . . . . . 0 CA--C 1.52 -0.186 0 CA-C-O 120.792 0.329 . . . . 0.0 110.404 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -69.26 -37.2 77.81 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.778 0.323 . . . . 0.0 110.304 178.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -53.03 -60.15 3.64 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.624 -179.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 382' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -74.54 -34.29 62.95 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.135 -175.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 383' ' ' LYS . . . . . 0.63 ' HB3' HD13 ' A' ' 416' ' ' LEU . 5.7 mptp? -61.67 -54.31 44.44 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.151 178.562 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -54.16 -44.25 71.29 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.03 0.443 . . . . 0.0 110.608 176.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.26 -52.88 63.74 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.025 -179.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 386' ' ' ILE . . . . . . . . . . . . . 81.6 mt -67.31 -41.96 87.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.309 -175.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 387' ' ' CYS . . . . . 0.475 ' O ' ' HB3' ' A' ' 414' ' ' CYS . 74.0 m -62.32 -43.54 98.6 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.582 176.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -76.98 -20.04 56.58 Favored 'General case' 0 N--CA 1.463 0.225 0 C-N-CA 120.935 -0.306 . . . . 0.0 111.017 -176.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -68.55 -17.02 64.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.922 0.391 . . . . 0.0 111.051 177.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 390' ' ' ALA . . . . . 0.485 ' HB2' HD21 ' A' ' 400' ' ' LEU . . . -82.68 -24.81 33.53 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 177.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp 56.76 -145.58 0.6 Allowed 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.238 -0.892 . . . . 0.0 112.549 176.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -74.7 -7.66 53.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.291 -175.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 45.9 t-20 -78.28 103.01 7.95 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -68.24 -37.71 81.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.087 -176.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -55.94 -52.14 65.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.013 0.435 . . . . 0.0 110.169 178.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 396' ' ' ALA . . . . . 0.41 ' O ' ' HB2' ' A' ' 399' ' ' ASN . . . -61.21 -35.71 77.93 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.904 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 397' ' ' CYS . . . . . 0.402 ' HB2' ' HB2' ' A' ' 414' ' ' CYS . 52.7 t -61.49 -50.01 74.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.261 176.264 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 398' ' ' GLU . . . . . 0.507 ' HA ' ' HB2' ' A' ' 401' ' ' LYS . 12.8 mm-40 -62.32 -22.23 65.9 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.395 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 399' ' ' ASN . . . . . 0.41 ' HB2' ' O ' ' A' ' 396' ' ' ALA . 20.4 m-80 -68.2 -52.96 28.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.044 0.45 . . . . 0.0 110.459 175.152 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.485 HD21 ' HB2' ' A' ' 390' ' ' ALA . 2.0 pp -91.64 11.5 24.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.373 0.606 . . . . 0.0 110.796 -179.346 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . 0.507 ' HB2' ' HA ' ' A' ' 398' ' ' GLU . 4.2 tmtp? -54.57 -35.12 62.97 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.534 -178.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -66.77 -10.34 46.33 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.319 -177.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -95.28 15.77 18.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.919 0.39 . . . . 0.0 111.137 -179.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 91.6 22.04 32.55 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.766 174.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 405' ' ' CYS . . . . . 0.454 ' HB3' ' SG ' ' A' ' 414' ' ' CYS . 71.5 m -104.41 131.06 52.2 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.814 0.34 . . . . 0.0 110.404 179.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 79.6 t -128.98 115.8 38.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.328 -0.396 . . . . 0.0 109.956 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 407' ' ' PHE . . . . . 0.746 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 25.9 t80 -58.36 121.15 10.12 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.464 178.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 35.6 t30 -107.29 112.05 24.72 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.419 -179.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 7.8 p -70.47 -11.79 61.15 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.618 -175.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -72.43 -43.37 63.9 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.074 0.464 . . . . 0.0 110.387 176.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 9.4 p -91.72 -10.05 41.53 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.122 0.487 . . . . 0.0 109.978 175.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 4.9 t30 66.57 23.65 10.34 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.726 177.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -142.43 164.53 29.88 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.493 179.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 414' ' ' CYS . . . . . 0.746 ' HA ' ' HA ' ' A' ' 407' ' ' PHE . 17.5 t -67.95 115.1 7.08 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 174.315 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 415' ' ' GLU . . . . . 0.514 ' OE1' ' HG2' ' A' ' 421' ' ' LYS . 21.5 tt0 -113.26 160.76 17.97 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 -174.185 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.63 HD13 ' HB3' ' A' ' 383' ' ' LYS . 35.1 tp . . . . . 0 C--N 1.324 -0.528 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 172.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 418' ' ' LYS . . . . . 0.643 ' O ' ' HG2' ' A' ' 422' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.223 -0.314 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -49.27 -63.92 0.96 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.928 -177.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 90.4 t -71.98 -32.04 42.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.735 -178.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 421' ' ' LYS . . . . . 0.514 ' HG2' ' OE1' ' A' ' 415' ' ' GLU . 19.3 tptp -60.83 -48.4 81.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.002 -178.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 422' ' ' GLU . . . . . 0.643 ' HG2' ' O ' ' A' ' 418' ' ' LYS . 14.7 mm-40 -64.5 -44.88 89.52 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.006 178.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -62.96 -15.52 56.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.498 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 58.8 tp -87.63 -52.08 5.53 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.923 178.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 . . . . . 0 CA--C 1.535 0.389 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -172.328 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 379' ' ' SER . . . . . 0.491 ' O ' ' HD3' ' A' ' 383' ' ' LYS . 33.1 t . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.159 -0.311 . . . . 0.0 110.159 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -65.78 -39.58 91.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.888 -179.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -59.42 -55.51 33.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.776 -175.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 382' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.83 -35.19 76.67 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.835 -174.278 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 383' ' ' LYS . . . . . 0.491 ' HD3' ' O ' ' A' ' 379' ' ' SER . 6.1 mptp? -61.22 -53.63 54.46 Favored 'General case' 0 CA--C 1.521 -0.154 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 176.629 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -56.79 -42.37 79.35 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.949 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -60.6 -47.51 85.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.154 -179.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 386' ' ' ILE . . . . . 0.708 HD13 ' HD3' ' A' ' 403' ' ' LYS . 93.1 mt -64.51 -42.6 95.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.061 -177.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 61.4 m -62.65 -44.22 96.82 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.754 176.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.47 -17.77 61.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.279 -175.683 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -68.69 -13.64 62.5 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.876 0.37 . . . . 0.0 111.4 176.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -88.11 -18.45 28.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.12 0.486 . . . . 0.0 109.986 176.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 92.6 mttt 54.61 -106.23 0.31 Allowed 'General case' 0 C--O 1.235 0.305 0 CA-C-N 114.802 -1.09 . . . . 0.0 112.613 175.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -107.53 -4.64 18.18 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.182 -173.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -90.73 105.82 18.09 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.3 0.571 . . . . 0.0 110.852 -176.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 394' ' ' GLN . . . . . 0.42 ' HA ' ' CD2' ' A' ' 407' ' ' PHE . 64.9 tt0 -61.25 -41.82 97.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.208 -179.038 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -58.11 -47.56 82.89 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.51 -177.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 396' ' ' ALA . . . . . 0.412 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -64.45 -37.27 86.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.976 178.588 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 397' ' ' CYS . . . . . 0.484 ' SG ' ' HB2' ' A' ' 407' ' ' PHE . 41.9 t -61.16 -52.67 63.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.646 178.55 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 398' ' ' GLU . . . . . 0.444 ' HA ' ' HB2' ' A' ' 401' ' ' LYS . 63.2 mm-40 -60.76 -24.22 65.58 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.262 -178.703 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -66.84 -59.33 3.63 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.948 0.404 . . . . 0.0 110.607 174.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 2.1 pp -84.17 7.6 18.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.211 0.529 . . . . 0.0 111.311 -176.579 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . 0.54 ' HA ' ' HB2' ' A' ' 405' ' ' CYS . 83.1 tttt -61.4 -20.56 63.19 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.257 -0.883 . . . . 0.0 111.225 -178.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -59.76 -20.5 57.03 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.059 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 403' ' ' LYS . . . . . 0.708 ' HD3' HD13 ' A' ' 386' ' ' ILE . 99.7 mttt -89.63 5.24 46.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.361 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 99.84 55.41 1.0 Allowed Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.889 -0.672 . . . . 0.0 113.053 176.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 405' ' ' CYS . . . . . 0.54 ' HB2' ' HA ' ' A' ' 401' ' ' LYS . 79.6 m -124.65 172.2 9.46 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.837 0.351 . . . . 0.0 110.727 -179.349 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 7.4 p -158.67 125.75 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.058 173.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 407' ' ' PHE . . . . . 0.492 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 26.3 t80 -86.75 118.91 26.46 Favored 'General case' 0 N--CA 1.437 -1.103 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 174.545 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -99.68 110.63 23.03 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 1.3 p -66.56 -30.93 71.35 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 111.763 0.283 . . . . 0.0 111.763 -175.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 21.7 tp10 -58.65 -49.44 77.54 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.081 0.467 . . . . 0.0 110.662 176.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 10.4 m -81.54 -21.35 38.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.301 179.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 59.44 61.47 2.01 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.524 -177.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 23.3 pttp -168.88 154.18 6.18 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.347 175.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 414' ' ' CYS . . . . . 0.492 ' HA ' ' HA ' ' A' ' 407' ' ' PHE . 41.9 t -92.75 117.74 30.32 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 176.159 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -130.27 158.33 40.07 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.714 -173.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.485 HD13 ' HB3' ' A' ' 383' ' ' LYS . 39.3 tp . . . . . 0 C--N 1.323 -0.551 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 170.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 418' ' ' LYS . . . . . 0.434 ' O ' ' HB2' ' A' ' 422' ' ' GLU . 3.7 ptmm? . . . . . 0 CA--C 1.518 -0.269 0 CA-C-O 120.95 0.405 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 419' ' ' ASP . . . . . 0.612 ' O ' ' HE3' ' A' ' 423' ' ' LYS . 14.4 p-10 -86.28 -36.23 19.46 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.695 -177.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 420' ' ' VAL . . . . . 0.446 ' O ' ' HB2' ' A' ' 424' ' ' LEU . 58.8 t -61.08 -43.63 96.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 172.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt -69.79 -32.56 71.11 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.641 178.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 422' ' ' GLU . . . . . 0.434 ' HB2' ' O ' ' A' ' 418' ' ' LYS . 32.7 tt0 -62.92 -49.46 74.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.993 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 423' ' ' LYS . . . . . 0.612 ' HE3' ' O ' ' A' ' 419' ' ' ASP . 0.0 OUTLIER -82.84 -2.03 53.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.934 177.769 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 424' ' ' LEU . . . . . 0.446 ' HB2' ' O ' ' A' ' 420' ' ' VAL . 9.2 tt -86.57 -48.81 8.03 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 174.248 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.104 176.957 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 379' ' ' SER . . . . . 0.498 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 16.4 m . . . . . 0 N--CA 1.452 -0.356 0 CA-C-O 120.889 0.376 . . . . 0.0 110.645 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -71.4 -40.96 70.17 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.466 178.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -65.13 -50.05 67.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.452 -176.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 382' ' ' ASN . . . . . 0.504 ' O ' HG13 ' A' ' 386' ' ' ILE . 1.7 p30 -68.79 -33.85 74.57 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 121.004 -0.278 . . . . 0.0 110.514 -177.133 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 383' ' ' LYS . . . . . 0.61 ' HB3' HD22 ' A' ' 416' ' ' LEU . 13.0 mptt -68.56 -43.02 77.5 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 178.115 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 384' ' ' GLU . . . . . 0.48 ' HA ' ' HB2' ' A' ' 416' ' ' LEU . 25.5 tt0 -64.0 -38.95 92.95 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.77 177.527 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 58.6 tptt -59.39 -33.52 71.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.789 0.328 . . . . 0.0 110.653 176.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 386' ' ' ILE . . . . . 0.504 HG13 ' O ' ' A' ' 382' ' ' ASN . 83.2 mt -62.73 -44.96 99.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.458 0.647 . . . . 0.0 109.34 176.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 30.8 m -71.08 -38.46 72.42 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.803 -1.089 . . . . 0.0 111.127 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -67.93 -23.73 65.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.703 0.287 . . . . 0.0 110.945 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -72.78 -1.78 17.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.023 0.44 . . . . 0.0 111.096 176.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -101.92 3.86 39.5 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 176.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 391' ' ' LYS . . . . . 0.516 ' HG3' ' H ' ' A' ' 393' ' ' ASN . 4.5 ptpp? 44.15 -151.86 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 114.871 -1.058 . . . . 0.0 113.079 177.119 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 392' ' ' ASP . . . . . 0.653 ' HA ' ' HA ' ' A' ' 413' ' ' LYS . 5.2 p-10 -85.76 6.09 29.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.146 0.498 . . . . 0.0 110.097 178.344 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 393' ' ' ASN . . . . . 0.516 ' H ' ' HG3' ' A' ' 391' ' ' LYS . 19.1 t-20 -80.51 110.23 15.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.862 178.197 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -68.63 -34.06 75.09 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.634 -174.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -58.76 -45.32 90.01 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 177.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 396' ' ' ALA . . . . . 0.453 ' HA ' ' ND2' ' A' ' 399' ' ' ASN . . . -60.04 -44.68 94.5 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.298 176.422 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 9.5 t -59.55 -42.09 91.61 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.194 178.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 398' ' ' GLU . . . . . 0.739 ' HA ' ' HB2' ' A' ' 401' ' ' LYS . 49.3 mm-40 -61.76 -30.82 71.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.131 177.573 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 399' ' ' ASN . . . . . 0.453 ' ND2' ' HA ' ' A' ' 396' ' ' ALA . 89.9 m-20 -63.68 -37.13 86.17 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.033 0.444 . . . . 0.0 110.685 178.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.516 HD12 ' SG ' ' A' ' 405' ' ' CYS . 0.2 OUTLIER -114.44 21.58 14.46 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.344 0.592 . . . . 0.0 111.367 178.497 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . 0.739 ' HB2' ' HA ' ' A' ' 398' ' ' GLU . 20.9 tptm -58.51 -47.65 83.44 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.252 -0.886 . . . . 0.0 111.367 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.51 1.25 17.16 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.462 -175.497 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -97.97 6.21 47.95 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.753 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 113.56 -2.23 24.84 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.683 175.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 405' ' ' CYS . . . . . 0.516 ' SG ' HD12 ' A' ' 400' ' ' LEU . 66.7 m -94.34 140.87 29.24 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.853 0.358 . . . . 0.0 111.064 -177.286 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 8.1 p -132.98 149.37 31.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 178.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 407' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -81.83 133.93 35.37 Favored 'General case' 0 N--CA 1.441 -0.916 0 C-N-CA 120.379 -0.528 . . . . 0.0 110.277 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -98.68 107.18 19.56 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.191 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 14.6 p -82.56 -8.11 59.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.927 0.394 . . . . 0.0 111.561 -177.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -87.62 -51.09 6.09 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.895 -177.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 5.7 m -92.92 -16.02 25.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.745 179.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 12.1 t30 67.74 82.04 0.18 Allowed 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.014 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 413' ' ' LYS . . . . . 0.653 ' HA ' ' HA ' ' A' ' 392' ' ' ASP . 22.5 pttp 177.69 162.1 0.55 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.256 177.617 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 414' ' ' CYS . . . . . . . . . . . . . 40.3 t -83.1 132.18 35.11 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 172.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 62.2 tt0 -139.49 148.36 42.58 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.59 -173.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.61 HD22 ' HB3' ' A' ' 383' ' ' LYS . 25.7 tp . . . . . 0 C--N 1.322 -0.626 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 173.104 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 418' ' ' LYS . . . . . 0.525 ' O ' ' HB2' ' A' ' 422' ' ' GLU . 7.3 ptpt . . . . . 0 N--CA 1.451 -0.405 0 CA-C-O 120.605 0.24 . . . . 0.0 111.08 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -70.52 -43.17 70.18 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.495 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 58.5 t -69.94 -43.06 79.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.699 177.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -58.51 -42.61 88.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.299 177.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 422' ' ' GLU . . . . . 0.525 ' HB2' ' O ' ' A' ' 418' ' ' LYS . 4.0 tp10 -66.7 -34.64 78.31 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.85 -174.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 32.8 mtmm -71.16 -32.21 68.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.922 0.392 . . . . 0.0 111.032 179.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 95.3 mt -75.6 -42.93 50.56 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.097 0.475 . . . . 0.0 110.224 178.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 . . . . . 0 C--N 1.325 -0.488 0 CA-C-N 115.415 -0.812 . . . . 0.0 111.913 -179.081 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 379' ' ' SER . . . . . 0.424 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 18.2 m . . . . . 0 N--CA 1.456 -0.168 0 CA-C-O 120.937 0.398 . . . . 0.0 110.47 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -67.24 -44.3 79.79 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.321 178.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -59.24 -53.09 62.25 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.197 -173.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 382' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -80.65 -30.9 36.59 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.739 -0.385 . . . . 0.0 111.352 -172.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 383' ' ' LYS . . . . . 0.683 ' HB3' HD13 ' A' ' 416' ' ' LEU . 6.5 mptp? -68.84 -38.19 79.66 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 175.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 384' ' ' GLU . . . . . 0.407 ' HA ' ' HB2' ' A' ' 416' ' ' LEU . 40.0 tt0 -57.25 -42.44 81.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.267 -0.878 . . . . 0.0 109.908 173.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -60.74 -35.49 76.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.932 178.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 386' ' ' ILE . . . . . . . . . . . . . 83.6 mt -65.32 -45.0 94.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.331 0.586 . . . . 0.0 109.596 178.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 31.7 m -66.61 -37.91 85.86 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.316 177.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -66.64 -25.88 66.79 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.734 178.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -68.07 -19.47 64.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.233 176.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -89.8 -25.45 21.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.115 178.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt 57.77 -132.86 1.24 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.702 176.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 392' ' ' ASP . . . . . 0.563 ' HA ' ' HA ' ' A' ' 413' ' ' LYS . 6.8 m-20 -89.73 13.11 15.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.044 -176.262 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -94.24 106.13 18.11 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.007 0.432 . . . . 0.0 110.254 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -67.91 -37.74 82.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.235 -176.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 395' ' ' LYS . . . . . 0.958 ' HE2' ' HA ' ' A' ' 395' ' ' LYS . 6.7 mmpt? -54.69 -47.84 73.17 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 123.138 0.273 . . . . 0.0 111.057 177.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 396' ' ' ALA . . . . . 0.617 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -61.7 -42.31 98.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.839 0.352 . . . . 0.0 110.474 177.321 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 397' ' ' CYS . . . . . 0.48 ' HA ' HD11 ' A' ' 400' ' ' LEU . 25.9 t -60.55 -46.42 90.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.432 178.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -56.34 -35.81 68.04 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.978 177.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -70.8 -38.47 73.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.228 -179.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.617 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 1.3 pp -105.25 20.88 18.12 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.95 0.405 . . . . 0.0 111.43 -179.274 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -52.14 -38.46 57.62 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.759 173.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -62.57 -18.09 61.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.774 -179.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 403' ' ' LYS . . . . . 0.54 ' HD2' ' HB2' ' A' ' 400' ' ' LEU . 93.9 mttt -90.35 6.03 44.84 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.967 0.413 . . . . 0.0 110.805 -177.364 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 94.45 13.92 52.32 Favored Glycine 0 C--N 1.33 0.234 0 C-N-CA 120.936 -0.65 . . . . 0.0 113.133 174.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 405' ' ' CYS . . . . . 0.673 ' HB3' ' SG ' ' A' ' 414' ' ' CYS . 82.5 m -91.53 131.87 36.66 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.883 0.373 . . . . 0.0 110.857 -179.151 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 7.6 p -121.92 135.64 61.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.521 178.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 407' ' ' PHE . . . . . 0.403 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 22.9 t80 -90.46 126.93 36.06 Favored 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 177.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 408' ' ' ASN . . . . . 0.489 ' HB3' ' HB2' ' A' ' 411' ' ' SER . 4.5 t-20 -107.1 133.07 52.26 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 177.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 7.7 p -73.3 -28.16 61.95 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.564 0.221 . . . . 0.0 111.428 -179.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -76.12 -49.97 15.92 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 178.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . 0.489 ' HB2' ' HB3' ' A' ' 408' ' ' ASN . 49.3 m -62.38 -29.31 70.38 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.435 173.222 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 7.4 t30 71.72 9.44 6.27 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.188 178.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 413' ' ' LYS . . . . . 0.563 ' HA ' ' HA ' ' A' ' 392' ' ' ASP . 1.0 OUTLIER -139.4 170.82 15.24 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.501 -176.141 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 414' ' ' CYS . . . . . 0.673 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 42.6 t -94.74 124.55 38.85 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.922 177.03 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -132.51 166.97 20.84 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 178.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.683 HD13 ' HB3' ' A' ' 383' ' ' LYS . 44.6 tp . . . . . 0 C--N 1.321 -0.64 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 -178.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 21.6 pttp . . . . . 0 N--CA 1.454 -0.238 0 CA-C-O 121.31 0.576 . . . . 0.0 110.129 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -82.6 -28.99 30.47 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.119 179.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 76.4 t -67.43 -46.82 82.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 173.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 18.7 ttmm -62.32 -38.57 89.93 Favored 'General case' 0 C--O 1.22 -0.48 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.377 173.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -59.82 -36.18 76.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 120.972 0.415 . . . . 0.0 110.38 179.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -91.62 -7.84 48.93 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.22 -178.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -99.8 -45.27 5.79 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.223 0.535 . . . . 0.0 109.742 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 . . . . . 0 C--N 1.324 -0.519 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.397 -179.336 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 379' ' ' SER . . . . . 0.621 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 4.3 m . . . . . 0 CA--C 1.531 0.232 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -49.85 -50.02 47.0 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -176.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -74.34 -52.01 13.45 Favored 'General case' 0 CA--C 1.517 -0.324 0 C-N-CA 120.172 -0.611 . . . . 0.0 110.437 -172.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 382' ' ' ASN . . . . . 0.534 ' ND2' ' HA ' ' A' ' 379' ' ' SER . 1.1 p30 -67.22 -25.28 66.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.827 -175.13 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 383' ' ' LYS . . . . . 0.731 ' HB3' HD22 ' A' ' 416' ' ' LEU . 3.2 tptm -67.26 -50.76 59.28 Favored 'General case' 0 CA--C 1.509 -0.633 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 179.092 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -64.59 -36.24 83.58 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.934 176.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 385' ' ' LYS . . . . . 0.533 ' HB3' ' HA ' ' A' ' 382' ' ' ASN . 56.8 tptt -61.8 -37.88 86.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.907 177.456 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 386' ' ' ILE . . . . . 0.408 HG13 ' O ' ' A' ' 382' ' ' ASN . 39.1 mt -66.64 -42.39 89.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.22 0.533 . . . . 0.0 109.94 179.109 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 27.8 m -64.44 -40.18 95.24 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.845 174.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.99 -15.26 62.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.357 179.442 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -72.82 -20.15 61.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.965 0.412 . . . . 0.0 110.412 174.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 390' ' ' ALA . . . . . 0.7 ' HB2' HD21 ' A' ' 400' ' ' LEU . . . -86.38 -16.29 37.76 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 175.45 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 94.9 mttt 58.31 -128.51 1.45 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 114.603 -1.18 . . . . 0.0 111.416 174.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -98.74 15.79 24.22 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.822 0.344 . . . . 0.0 111.163 -175.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -90.43 109.63 20.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.272 0.558 . . . . 0.0 110.342 176.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 394' ' ' GLN . . . . . 0.567 ' HA ' ' CD1' ' A' ' 407' ' ' PHE . 23.6 tt0 -63.77 -45.04 91.55 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.414 -176.656 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 395' ' ' LYS . . . . . 0.405 ' HD3' ' HA ' ' A' ' 395' ' ' LYS . 13.3 tppt? -69.82 -36.74 75.87 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.293 -175.556 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 396' ' ' ALA . . . . . 0.432 ' HA ' ' ND2' ' A' ' 399' ' ' ASN . . . -64.76 -35.02 79.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.243 0.544 . . . . 0.0 110.236 176.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 37.7 t -61.73 -45.92 91.86 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.141 177.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -62.53 -27.63 69.29 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.204 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 399' ' ' ASN . . . . . 0.432 ' ND2' ' HA ' ' A' ' 396' ' ' ALA . 82.5 m-20 -66.57 -45.4 79.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.988 0.423 . . . . 0.0 110.511 177.36 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.7 HD21 ' HB2' ' A' ' 390' ' ' ALA . 1.9 pp -102.09 16.38 26.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.726 -177.395 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' A' ' 405' ' ' CYS . 82.1 tttt -57.59 -17.74 15.92 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.712 177.558 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -55.89 -22.9 28.18 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.843 178.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 403' ' ' LYS . . . . . 0.461 ' HD2' ' N ' ' A' ' 403' ' ' LYS . 0.5 OUTLIER -90.93 2.53 56.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.759 0.314 . . . . 0.0 110.913 -179.704 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 404' ' ' GLY . . . . . 0.409 ' O ' HD12 ' A' ' 416' ' ' LEU . . . 99.7 24.93 9.54 Favored Glycine 0 C--O 1.236 0.243 0 N-CA-C 111.565 -0.614 . . . . 0.0 111.565 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 405' ' ' CYS . . . . . 0.552 ' HB3' ' SG ' ' A' ' 414' ' ' CYS . 80.0 m -98.72 118.87 36.44 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.028 0.442 . . . . 0.0 111.021 -170.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 406' ' ' VAL . . . . . 0.634 ' HB ' ' HB2' ' A' ' 418' ' ' LYS . 10.0 p -126.34 143.11 40.94 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 177.308 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 407' ' ' PHE . . . . . 0.567 ' CD1' ' HA ' ' A' ' 394' ' ' GLN . 22.7 t80 -68.09 123.79 21.65 Favored 'General case' 0 N--CA 1.439 -1.018 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.405 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -98.94 97.43 8.6 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.608 -0.723 . . . . 0.0 109.234 -177.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 1.2 p -61.45 -23.5 65.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.761 -176.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -55.06 -44.41 74.73 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.971 177.11 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 22.6 t -112.8 -6.9 13.81 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.826 -177.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 7.1 t30 61.01 58.24 2.33 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.66 -177.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 25.7 pttm -163.16 159.59 23.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.873 174.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 414' ' ' CYS . . . . . 0.552 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 51.9 t -79.54 127.05 31.66 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.519 0.2 . . . . 0.0 110.472 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -138.96 159.23 42.64 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 121.173 0.511 . . . . 0.0 111.32 -177.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.731 HD22 ' HB3' ' A' ' 383' ' ' LYS . 35.8 tp . . . . . 0 C--N 1.326 -0.431 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 174.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 418' ' ' LYS . . . . . 0.634 ' HB2' ' HB ' ' A' ' 406' ' ' VAL . 12.2 tmtt? . . . . . 0 N--CA 1.451 -0.409 0 CA-C-O 121.453 0.644 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -91.85 -48.53 6.73 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.664 -170.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 31.6 t -67.1 -37.71 79.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.311 179.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -67.59 -47.96 68.23 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.968 -178.002 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -62.66 -34.92 78.09 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.912 -177.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -62.66 -43.74 98.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.196 0.522 . . . . 0.0 110.417 179.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 54.4 tp -79.34 -26.72 42.09 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.421 179.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 . . . . . 0 C--N 1.326 -0.427 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.666 176.244 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 379' ' ' SER . . . . . 0.461 ' HA ' ' ND2' ' A' ' 382' ' ' ASN . 15.1 t . . . . . 0 CA--C 1.528 0.114 0 CA-C-O 120.628 0.251 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -69.08 -44.18 73.05 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.013 0.435 . . . . 0.0 111.335 -177.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -80.81 -31.67 35.53 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.183 -0.462 . . . . 0.0 112.219 -173.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 382' ' ' ASN . . . . . 0.461 ' ND2' ' HA ' ' A' ' 379' ' ' SER . 0.5 OUTLIER -75.29 -24.83 57.58 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.377 -0.529 . . . . 0.0 109.603 177.391 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 383' ' ' LYS . . . . . 0.494 ' HB3' HD22 ' A' ' 416' ' ' LEU . 0.1 OUTLIER -64.63 -48.41 74.96 Favored 'General case' 0 CA--C 1.514 -0.416 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 175.6 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -52.56 -49.96 63.9 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.292 174.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -56.64 -43.81 80.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.157 -179.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 386' ' ' ILE . . . . . 0.449 HG22 HD13 ' A' ' 400' ' ' LEU . 68.3 mt -67.49 -45.79 84.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.117 0.484 . . . . 0.0 110.122 -179.664 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 72.9 m -62.64 -37.49 86.57 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.134 179.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -80.08 -24.4 40.64 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.634 -178.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -73.39 -8.82 57.48 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.996 0.427 . . . . 0.0 110.856 175.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 390' ' ' ALA . . . . . 0.493 ' HB2' HD12 ' A' ' 400' ' ' LEU . . . -86.25 -20.98 27.67 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 177.123 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp 61.57 -151.94 0.38 Allowed 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.565 173.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -88.86 10.32 21.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.425 0.631 . . . . 0.0 109.89 176.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -84.22 97.65 9.51 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 177.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 394' ' ' GLN . . . . . 0.462 ' O ' ' HG2' ' A' ' 398' ' ' GLU . 50.0 tt0 -57.39 -40.38 78.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.629 -174.537 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -49.96 -49.78 49.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.829 0.347 . . . . 0.0 111.074 178.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -64.02 -39.78 94.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.966 0.412 . . . . 0.0 110.589 179.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 18.7 t -63.82 -43.08 97.3 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.397 179.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 398' ' ' GLU . . . . . 0.462 ' HG2' ' O ' ' A' ' 394' ' ' GLN . 17.0 mm-40 -58.28 -34.14 70.2 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.028 178.092 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 18.8 m-80 -71.0 -34.05 71.0 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.172 178.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.493 HD12 ' HB2' ' A' ' 390' ' ' ALA . 30.2 mt -103.65 10.73 36.71 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.627 -177.03 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . 0.544 ' HA ' ' O ' ' A' ' 405' ' ' CYS . 16.7 tptm -50.12 -53.96 23.87 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.952 -1.022 . . . . 0.0 112.35 -175.304 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -80.72 10.47 4.86 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.953 0.406 . . . . 0.0 112.03 -173.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 61.2 mttm -92.32 -5.88 51.36 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.224 0.535 . . . . 0.0 109.592 171.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 404' ' ' GLY . . . . . 0.549 ' HA2' ' HB3' ' A' ' 418' ' ' LYS . . . 115.24 -5.93 21.51 Favored Glycine 0 N--CA 1.445 -0.754 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 -178.388 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 405' ' ' CYS . . . . . 0.567 ' HB3' ' SG ' ' A' ' 414' ' ' CYS . 56.8 m -82.8 111.71 18.96 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.122 -0.539 . . . . 0.0 110.316 -178.178 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 7.2 p -122.2 134.15 66.32 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.696 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 407' ' ' PHE . . . . . 0.402 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 11.9 t80 -72.74 123.36 23.15 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.114 -179.641 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 408' ' ' ASN . . . . . 0.411 ' OD1' ' HG2' ' A' ' 410' ' ' GLU . 46.6 t30 -104.39 112.59 25.69 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.653 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 11.4 p -70.26 -22.4 62.88 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.526 -176.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 410' ' ' GLU . . . . . 0.411 ' HG2' ' OD1' ' A' ' 408' ' ' ASN . 5.1 mm-40 -69.26 -36.94 77.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.949 -175.584 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 23.2 m -110.72 1.56 17.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.846 179.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 10.6 t30 50.04 73.7 0.25 Allowed 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.231 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -173.86 165.39 4.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.695 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 414' ' ' CYS . . . . . 0.567 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 37.9 t -90.92 131.14 36.72 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 170.315 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -138.44 150.81 46.86 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.714 0.292 . . . . 0.0 110.495 -175.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.494 HD22 ' HB3' ' A' ' 383' ' ' LYS . 50.4 tp . . . . . 0 C--N 1.327 -0.392 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 173.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 418' ' ' LYS . . . . . 0.55 ' HE2' ' O ' ' A' ' 418' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.226 -0.157 0 CA-C-O 121.657 0.741 . . . . 0.0 109.94 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -81.08 -40.62 23.84 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 115.241 -0.891 . . . . 0.0 109.99 -177.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 54.7 t -61.33 -47.44 93.44 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.115 177.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 421' ' ' LYS . . . . . 0.618 ' O ' ' HG2' ' A' ' 425' ' ' GLU . 60.0 tttm -60.64 -42.62 97.3 Favored 'General case' 0 C--O 1.208 -1.102 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.672 177.216 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -54.29 -43.07 70.75 Favored 'General case' 0 C--O 1.244 0.79 0 O-C-N 123.642 0.589 . . . . 0.0 110.921 -179.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 50.4 mmtm -56.69 -42.84 79.8 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.429 177.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 48.3 tp -81.29 -30.57 33.93 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.402 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 425' ' ' GLU . . . . . 0.618 ' HG2' ' O ' ' A' ' 421' ' ' LYS . 13.9 mm-40 . . . . . 0 C--O 1.234 0.28 0 C-N-CA 123.182 0.593 . . . . 0.0 110.94 -179.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 379' ' ' SER . . . . . 0.672 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 24.6 m . . . . . 0 N--CA 1.449 -0.521 0 N-CA-C 111.526 0.195 . . . . 0.0 111.526 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -73.41 -41.37 63.38 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.958 0.408 . . . . 0.0 111.572 -176.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -73.11 -46.77 49.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.058 -175.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 382' ' ' ASN . . . . . 0.549 ' O ' HG13 ' A' ' 386' ' ' ILE . 0.3 OUTLIER -68.95 -27.12 65.44 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.284 179.871 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 383' ' ' LYS . . . . . 0.672 ' HB2' ' O ' ' A' ' 379' ' ' SER . 2.2 tptm -66.63 -47.92 71.06 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 179.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -56.89 -37.34 71.26 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.215 175.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 23.9 tptp -70.99 -32.73 69.65 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.841 -179.165 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 386' ' ' ILE . . . . . 0.549 HG13 ' O ' ' A' ' 382' ' ' ASN . 79.0 mt -62.08 -42.29 94.45 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.285 0 CA-C-O 121.504 0.668 . . . . 0.0 109.252 176.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 14.6 m -69.46 -43.41 73.32 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 114.833 -1.076 . . . . 0.0 110.189 178.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -70.79 -14.52 62.45 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.489 -178.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -69.34 -22.97 63.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.911 0.386 . . . . 0.0 110.513 173.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 390' ' ' ALA . . . . . 0.694 ' HB2' HD21 ' A' ' 400' ' ' LEU . . . -87.76 -13.63 41.83 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 175.639 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? 63.68 -97.01 0.06 Allowed 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 114.397 -1.274 . . . . 0.0 111.983 173.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -137.12 21.86 3.01 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.205 0.526 . . . . 0.0 110.102 -177.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -88.43 104.45 16.8 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.996 174.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 394' ' ' GLN . . . . . 0.516 ' O ' ' HG2' ' A' ' 398' ' ' GLU . 35.0 tt0 -57.88 -46.46 84.85 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.265 -179.389 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -61.45 -44.76 96.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.794 -176.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 396' ' ' ALA . . . . . 0.577 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -65.99 -36.83 84.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.52 178.626 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 26.5 t -65.43 -44.83 86.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.607 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 398' ' ' GLU . . . . . 0.516 ' HG2' ' O ' ' A' ' 394' ' ' GLN . 30.4 mm-40 -53.94 -39.23 65.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.643 176.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -64.49 -52.6 57.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.464 179.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.694 HD21 ' HB2' ' A' ' 390' ' ' ALA . 2.1 pp -90.85 14.54 13.37 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.804 0.335 . . . . 0.0 111.842 -175.574 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' A' ' 405' ' ' CYS . 38.9 ttmt -62.47 -19.68 63.78 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.273 0.559 . . . . 0.0 110.486 176.083 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -56.07 -26.24 48.51 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.86 176.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 403' ' ' LYS . . . . . 0.49 ' HD2' ' N ' ' A' ' 403' ' ' LYS . 0.1 OUTLIER -90.5 8.86 31.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.533 -178.462 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 404' ' ' GLY . . . . . 0.448 ' O ' HD12 ' A' ' 416' ' ' LEU . . . 89.79 36.34 7.35 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 121.133 -0.556 . . . . 0.0 112.143 178.484 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 405' ' ' CYS . . . . . 0.422 ' O ' ' HG3' ' A' ' 401' ' ' LYS . 91.7 m -115.76 111.1 20.04 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.052 0.453 . . . . 0.0 110.765 -174.312 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 14.6 p -110.35 142.36 23.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 -179.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 407' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -71.79 117.4 13.33 Favored 'General case' 0 N--CA 1.436 -1.144 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 174.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -99.69 91.62 4.95 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 114.939 -1.028 . . . . 0.0 109.255 -170.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 12.0 p -67.76 -9.61 45.46 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -172.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -59.01 -38.26 78.83 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.189 0.519 . . . . 0.0 109.955 174.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 5.8 p -123.65 -0.82 8.56 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.896 179.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 4.8 t30 60.45 57.81 2.71 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.139 178.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -141.55 168.78 18.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.423 176.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 414' ' ' CYS . . . . . . . . . . . . . 42.0 t -92.38 119.39 31.88 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 167.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -143.96 174.82 10.51 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.226 -174.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.448 HD12 ' O ' ' A' ' 404' ' ' GLY . 37.6 tp . . . . . 0 C--N 1.323 -0.555 0 CA-C-O 120.929 0.395 . . . . 0.0 110.798 -174.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 23.6 mtmm . . . . . 0 CA--C 1.517 -0.323 0 CA-C-O 121.212 0.529 . . . . 0.0 110.574 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 419' ' ' ASP . . . . . 0.637 ' O ' ' HG2' ' A' ' 423' ' ' LYS . 1.2 t70 -56.31 -54.89 40.11 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.998 173.576 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 86.2 t -61.86 -38.9 81.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.762 0.315 . . . . 0.0 110.535 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 421' ' ' LYS . . . . . 0.412 ' C ' ' HD3' ' A' ' 421' ' ' LYS . 0.8 OUTLIER -55.78 -43.83 77.16 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 174.922 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -76.59 -18.03 58.87 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.243 -0.889 . . . . 0.0 111.068 -176.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 423' ' ' LYS . . . . . 0.637 ' HG2' ' O ' ' A' ' 419' ' ' ASP . 11.5 mmpt? -81.49 -40.91 22.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.409 0.623 . . . . 0.0 109.717 175.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 8.6 tt -66.51 -51.42 56.81 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.948 -1.024 . . . . 0.0 110.316 -178.1 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 . . . . . 0 C--N 1.321 -0.643 0 CA-C-O 121.046 0.451 . . . . 0.0 109.878 -179.961 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 379' ' ' SER . . . . . 0.638 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 40.8 m . . . . . 0 N--CA 1.451 -0.382 0 CA-C-O 120.557 0.218 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -68.95 -43.38 75.14 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.448 179.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -68.02 -51.33 48.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.683 -0.235 . . . . 0.0 111.305 -175.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 382' ' ' ASN . . . . . 0.613 ' O ' HG13 ' A' ' 386' ' ' ILE . 1.5 p30 -66.29 -33.52 75.92 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.313 -176.467 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 383' ' ' LYS . . . . . 0.794 ' HE3' ' HB3' ' A' ' 403' ' ' LYS . 12.9 mptt -66.85 -46.72 74.18 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 179.357 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -57.17 -47.11 82.04 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.003 -0.998 . . . . 0.0 109.817 174.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 385' ' ' LYS . . . . . 0.435 ' HD2' ' HA ' ' A' ' 385' ' ' LYS . 37.7 tptt -63.17 -30.54 71.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.486 -177.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 386' ' ' ILE . . . . . 0.613 HG13 ' O ' ' A' ' 382' ' ' ASN . 88.2 mt -67.18 -39.37 82.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.263 0.554 . . . . 0.0 109.8 178.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 61.8 m -69.91 -38.44 76.29 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.346 176.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -67.95 -25.4 65.44 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.628 178.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -72.19 -30.02 64.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.048 176.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -82.23 -38.17 24.91 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.362 -179.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 59.3 mttm 70.36 -93.87 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.782 -1.099 . . . . 0.0 112.248 173.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -112.77 10.31 19.2 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -173.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -88.66 85.17 6.75 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.023 179.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -55.4 -43.12 74.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.503 -0.772 . . . . 0.0 111.389 -177.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -53.89 -52.82 59.28 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.169 -178.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 396' ' ' ALA . . . . . 0.669 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -70.87 -29.65 65.81 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.707 0.289 . . . . 0.0 111.043 -174.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 397' ' ' CYS . . . . . 0.6 ' HA ' HD11 ' A' ' 400' ' ' LEU . 77.8 m -72.84 -39.87 66.2 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.097 0.475 . . . . 0.0 111.031 -179.663 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 398' ' ' GLU . . . . . 0.429 ' HA ' ' HB2' ' A' ' 401' ' ' LYS . 37.5 mm-40 -73.44 -11.56 60.51 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.949 0.404 . . . . 0.0 110.121 174.698 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 399' ' ' ASN . . . . . 0.465 ' HB2' ' O ' ' A' ' 396' ' ' ALA . 1.1 m-80 -77.47 -55.13 5.64 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.946 0.403 . . . . 0.0 110.293 170.293 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.669 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 1.4 pp -81.26 11.55 4.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.149 0.5 . . . . 0.0 110.857 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . 0.629 ' HG3' ' O ' ' A' ' 405' ' ' CYS . 29.4 tttp -56.28 -23.61 37.63 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.458 171.267 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -53.83 -32.67 53.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.394 173.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 403' ' ' LYS . . . . . 0.794 ' HB3' ' HE3' ' A' ' 383' ' ' LYS . 92.7 mttt -87.72 -0.82 57.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.053 -177.662 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 93.38 58.03 1.32 Allowed Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.991 -0.623 . . . . 0.0 112.619 179.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 405' ' ' CYS . . . . . 0.629 ' O ' ' HG3' ' A' ' 401' ' ' LYS . 36.8 t -127.27 156.09 42.47 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 -178.656 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 7.6 p -144.93 128.3 11.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 120.96 0.41 . . . . 0.0 111.081 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 407' ' ' PHE . . . . . 0.697 ' HD2' ' SG ' ' A' ' 414' ' ' CYS . 43.0 t80 -83.48 125.39 31.68 Favored 'General case' 0 N--CA 1.438 -1.067 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 171.56 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -102.14 106.31 17.15 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 178.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 2.7 p -66.11 -20.9 66.3 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.919 -175.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -65.18 -50.64 65.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.125 0.488 . . . . 0.0 110.007 177.146 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 12.9 m -85.39 -15.26 43.7 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.222 0.534 . . . . 0.0 110.23 178.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 3.8 t30 61.67 41.39 12.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.515 -178.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -152.3 155.73 38.25 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.366 175.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 414' ' ' CYS . . . . . 0.697 ' SG ' ' HD2' ' A' ' 407' ' ' PHE . 8.9 m -82.03 141.99 32.74 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.535 177.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -141.62 168.48 19.67 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 178.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.702 HD13 ' HB3' ' A' ' 383' ' ' LYS . 29.5 tp . . . . . 0 C--N 1.325 -0.477 0 CA-C-O 121.19 0.519 . . . . 0.0 110.415 176.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 5.6 tppp? . . . . . 0 CA--C 1.519 -0.229 0 CA-C-O 121.576 0.703 . . . . 0.0 110.428 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -56.37 -46.47 80.03 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 113.846 -1.524 . . . . 0.0 110.897 -174.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 71.1 t -64.18 -45.67 95.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.89 -179.066 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -72.68 -39.95 66.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.671 -174.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -70.48 -24.05 62.79 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.114 -175.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 41.1 mtmt -98.72 -6.91 28.6 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.386 174.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -75.68 -51.12 13.47 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 171.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.851 175.957 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 3.5 p . . . . . 0 N--CA 1.454 -0.23 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -59.77 -44.48 93.86 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -175.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -70.73 -54.0 13.42 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.742 -174.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 382' ' ' ASN . . . . . 0.401 ' O ' HG13 ' A' ' 386' ' ' ILE . 1.1 p30 -67.99 -36.11 79.46 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 121.055 -0.258 . . . . 0.0 111.483 -173.167 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 383' ' ' LYS . . . . . 0.474 ' HB3' HD13 ' A' ' 416' ' ' LEU . 2.6 mptm? -65.64 -49.27 69.28 Favored 'General case' 0 CA--C 1.519 -0.232 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.246 179.442 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 384' ' ' GLU . . . . . 0.457 ' CG ' ' HB3' ' A' ' 416' ' ' LEU . 24.7 mt-10 -60.55 -36.21 77.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.279 179.644 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -63.22 -41.02 99.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.77 0.319 . . . . 0.0 110.954 176.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 386' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 382' ' ' ASN . 96.2 mt -68.61 -40.74 82.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.079 0.466 . . . . 0.0 109.867 -179.601 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 60.5 m -67.15 -40.49 86.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.511 176.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 388' ' ' ASN . . . . . 0.6 ' O ' ' HG3' ' A' ' 391' ' ' LYS . 1.3 m-80 -79.88 -10.27 59.76 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 122.314 -0.241 . . . . 0.0 111.302 -179.282 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -70.14 -20.2 63.17 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.067 0.461 . . . . 0.0 109.977 172.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -99.0 -43.86 6.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.554 176.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 391' ' ' LYS . . . . . 0.6 ' HG3' ' O ' ' A' ' 388' ' ' ASN . 8.6 mtmp? 57.37 -92.67 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.634 -179.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -83.0 -21.32 33.93 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 123.47 0.481 . . . . 0.0 111.29 -171.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 -79.29 104.71 10.1 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.23 0.538 . . . . 0.0 110.097 -178.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 394' ' ' GLN . . . . . 0.458 ' O ' ' HG2' ' A' ' 398' ' ' GLU . 35.7 tt0 -76.52 -50.01 15.05 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.399 -0.818 . . . . 0.0 110.516 -177.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -58.2 -47.71 82.6 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.267 -174.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 396' ' ' ALA . . . . . 0.441 ' HA ' ' ND2' ' A' ' 399' ' ' ASN . . . -64.69 -33.2 75.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.932 -178.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 397' ' ' CYS . . . . . 0.572 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 1.8 t -75.59 -36.59 60.29 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.664 -0.415 . . . . 0.0 110.308 -179.057 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 398' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 394' ' ' GLN . 16.7 mm-40 -64.1 -22.51 66.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.756 0.313 . . . . 0.0 110.674 175.615 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 399' ' ' ASN . . . . . 0.441 ' ND2' ' HA ' ' A' ' 396' ' ' ALA . 85.7 m-20 -71.18 -49.31 45.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.99 0.424 . . . . 0.0 110.407 174.131 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.403 HD11 ' HA ' ' A' ' 397' ' ' CYS . 2.3 pp -90.45 13.55 15.34 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.374 0.607 . . . . 0.0 110.528 -178.162 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . 0.737 ' HG3' ' O ' ' A' ' 405' ' ' CYS . 33.4 tttp -54.08 -21.19 7.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.793 -1.094 . . . . 0.0 112.408 179.639 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -52.56 -35.27 53.43 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 123.632 0.582 . . . . 0.0 111.444 -177.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -78.0 -23.29 48.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.3 -175.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 404' ' ' GLY . . . . . 0.656 ' HA2' ' HD3' ' A' ' 418' ' ' LYS . . . 128.88 48.34 0.15 Allowed Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.338 -0.934 . . . . 0.0 112.951 177.283 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 405' ' ' CYS . . . . . 0.737 ' O ' ' HG3' ' A' ' 401' ' ' LYS . 60.5 m -116.52 112.02 20.78 Favored 'General case' 0 C--N 1.32 -0.68 0 O-C-N 122.52 -0.4 . . . . 0.0 111.421 -175.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 406' ' ' VAL . . . . . 0.539 ' HB ' ' HB3' ' A' ' 418' ' ' LYS . 7.5 p -115.74 114.54 46.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 174.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 407' ' ' PHE . . . . . 0.838 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 21.4 t80 -62.89 122.37 15.82 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.054 178.364 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -104.01 117.19 33.7 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.076 -179.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 12.0 p -62.11 -27.99 69.31 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.514 -179.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -72.87 -48.26 38.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.048 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 26.6 m -75.98 -17.12 59.84 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.717 -0.22 . . . . 0.0 110.629 178.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 10.5 t30 70.36 4.24 4.82 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.694 0.759 . . . . 0.0 110.541 -179.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -126.94 162.7 25.33 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.109 -179.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 414' ' ' CYS . . . . . 0.838 ' HA ' ' HA ' ' A' ' 407' ' ' PHE . 22.6 t -76.92 131.74 38.71 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.367 173.486 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -128.38 140.12 52.02 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.849 0.357 . . . . 0.0 111.547 -169.173 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.474 HD13 ' HB3' ' A' ' 383' ' ' LYS . 15.8 tp . . . . . 0 C--N 1.327 -0.384 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 170.025 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 418' ' ' LYS . . . . . 0.656 ' HD3' ' HA2' ' A' ' 404' ' ' GLY . 4.2 ptmm? . . . . . 0 N--CA 1.464 0.245 0 CA-C-O 121.306 0.574 . . . . 0.0 110.461 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -68.61 -45.88 70.77 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.8 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 44.2 t -67.34 -40.03 83.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.006 177.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -59.14 -53.47 58.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.998 178.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -62.78 -43.24 99.31 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.064 0.459 . . . . 0.0 110.302 -179.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 50.6 tttp -56.45 -53.54 56.18 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.867 179.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 10.4 tt -69.86 -38.8 76.54 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.183 -175.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 . . . . . 0 C--N 1.328 -0.34 0 CA-C-O 120.86 0.362 . . . . 0.0 110.815 -178.124 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 379' ' ' SER . . . . . 0.465 ' O ' ' HD3' ' A' ' 383' ' ' LYS . 11.5 m . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 111.594 0.22 . . . . 0.0 111.594 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -70.71 -38.31 73.62 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.643 0.259 . . . . 0.0 111.118 -177.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -67.32 -58.0 5.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.408 -176.025 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 382' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -64.97 -37.28 87.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.087 -173.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 383' ' ' LYS . . . . . 0.609 ' HB3' ' HG ' ' A' ' 416' ' ' LEU . 6.3 mptp? -59.22 -57.67 12.01 Favored 'General case' 0 CA--C 1.518 -0.262 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.097 176.683 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 384' ' ' GLU . . . . . 0.515 ' HG3' ' HB2' ' A' ' 416' ' ' LEU . 20.6 mt-10 -61.55 -35.69 78.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.721 -177.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? -62.01 -44.15 97.33 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.908 0.385 . . . . 0.0 110.095 176.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 386' ' ' ILE . . . . . 0.419 HD13 ' HD3' ' A' ' 403' ' ' LYS . 84.8 mt -66.1 -40.48 87.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.655 177.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 387' ' ' CYS . . . . . 0.645 ' O ' ' HB2' ' A' ' 414' ' ' CYS . 67.2 m -59.12 -44.76 92.02 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.317 175.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -75.74 -19.11 59.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.84 -177.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -72.46 -14.24 61.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.315 177.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 390' ' ' ALA . . . . . 0.766 ' HB2' HD21 ' A' ' 400' ' ' LEU . . . -92.78 -20.46 20.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.972 0.415 . . . . 0.0 110.396 179.024 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? 58.25 -139.15 0.81 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.459 177.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -87.82 12.6 12.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.038 -179.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -83.13 90.2 7.04 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 178.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -64.19 -31.85 73.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.813 -176.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -63.86 -52.58 59.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.957 0.408 . . . . 0.0 110.094 175.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 396' ' ' ALA . . . . . 0.413 ' O ' ' HB2' ' A' ' 399' ' ' ASN . . . -60.76 -38.89 86.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.08 178.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -53.41 -52.76 58.35 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.186 -0.916 . . . . 0.0 111.243 174.689 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -60.32 -22.94 63.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.845 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 399' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' A' ' 396' ' ' ALA . 41.1 m-80 -70.75 -61.14 1.88 Allowed 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.936 0.398 . . . . 0.0 110.596 174.604 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.766 HD21 ' HB2' ' A' ' 390' ' ' ALA . 2.8 pp -83.03 12.08 5.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.124 0.488 . . . . 0.0 111.23 -177.02 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 5.7 tmtp? -50.48 -39.99 49.83 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.202 -0.908 . . . . 0.0 112.189 -179.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -72.98 -3.1 23.88 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -174.338 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 403' ' ' LYS . . . . . 0.419 ' HD3' HD13 ' A' ' 386' ' ' ILE . 98.1 mttt -86.29 2.33 47.67 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.38 175.024 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 100.23 18.7 21.02 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.266 178.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 91.3 m -106.7 119.76 40.18 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.074 0.464 . . . . 0.0 111.132 -177.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 7.4 p -114.37 132.95 61.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.869 177.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 407' ' ' PHE . . . . . 0.553 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 29.0 t80 -72.91 130.27 40.02 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.271 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -110.96 116.89 31.97 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.376 178.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 8.5 p -71.45 -17.71 62.36 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.759 -175.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -78.67 -49.34 13.34 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.826 0.346 . . . . 0.0 110.554 -176.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 28.2 p -80.43 -18.42 48.84 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.173 176.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 65.84 39.96 4.44 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.841 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 53.6 pttt -154.67 152.39 29.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.655 176.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 414' ' ' CYS . . . . . 0.645 ' HB2' ' O ' ' A' ' 387' ' ' CYS . 32.5 m -65.88 126.41 28.45 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.785 0.326 . . . . 0.0 110.694 170.676 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -123.16 165.23 17.22 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 176.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.609 ' HG ' ' HB3' ' A' ' 383' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.434 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 178.129 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? . . . . . 0 N--CA 1.464 0.247 0 N-CA-C 111.844 0.313 . . . . 0.0 111.844 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -61.4 -38.76 88.23 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.855 -178.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 98.2 t -71.25 -45.07 72.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.284 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -59.01 -42.49 90.27 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.312 177.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -58.03 -47.96 81.51 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.062 178.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.3 -20.57 51.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.008 -174.156 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 76.2 mt -79.16 -47.45 16.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.13 174.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.346 -178.253 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 379' ' ' SER . . . . . 0.682 ' HA ' ' ND2' ' A' ' 382' ' ' ASN . 41.7 m . . . . . 0 C--O 1.222 -0.363 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -50.95 -51.17 55.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.833 0.349 . . . . 0.0 111.838 -175.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -72.0 -49.19 39.08 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.05 -176.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 382' ' ' ASN . . . . . 0.682 ' ND2' ' HA ' ' A' ' 379' ' ' SER . 1.2 p30 -75.58 -27.31 58.52 Favored 'General case' 0 C--O 1.223 -0.317 0 C-N-CA 120.397 -0.521 . . . . 0.0 111.315 -172.296 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 383' ' ' LYS . . . . . 0.556 ' HB3' HD13 ' A' ' 416' ' ' LEU . 13.7 mptt -65.02 -48.83 72.51 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 174.431 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -56.43 -46.21 80.36 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 114.808 -1.087 . . . . 0.0 109.943 175.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 385' ' ' LYS . . . . . 0.455 ' HD3' ' C ' ' A' ' 385' ' ' LYS . 13.0 tmtt? -58.52 -43.02 89.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.496 178.462 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 386' ' ' ILE . . . . . 0.508 HG13 ' O ' ' A' ' 382' ' ' ASN . 72.7 mt -63.32 -43.69 98.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.221 0.534 . . . . 0.0 109.702 -178.067 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 59.7 m -66.85 -40.46 87.91 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.591 176.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.99 -27.45 65.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.212 -179.096 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -72.39 -13.59 61.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.889 0.376 . . . . 0.0 111.285 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -82.8 -22.95 34.06 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 175.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 37.6 mtpt 53.97 -137.28 1.23 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 114.697 -1.138 . . . . 0.0 111.147 177.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 392' ' ' ASP . . . . . 0.494 ' HA ' ' HA ' ' A' ' 413' ' ' LYS . 5.1 m-20 -79.83 0.68 29.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.182 -176.151 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -78.91 109.24 13.0 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.001 0.429 . . . . 0.0 110.005 -178.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 394' ' ' GLN . . . . . 0.482 ' O ' ' HG3' ' A' ' 398' ' ' GLU . 52.2 tt0 -64.82 -45.24 87.04 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.77 -175.069 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 16.4 ttmm -70.69 -34.27 71.8 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 121.022 -0.271 . . . . 0.0 111.546 -172.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -61.34 -37.59 83.88 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 174.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 23.7 t -69.71 -40.4 76.31 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.061 176.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 398' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' A' ' 394' ' ' GLN . 44.7 mt-10 -54.66 -40.67 69.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.091 176.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -66.98 -40.85 87.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.232 0.539 . . . . 0.0 110.283 178.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . . . . . . . . . 69.6 mt -83.21 0.19 46.56 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.409 -177.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . 0.434 ' HA ' ' O ' ' A' ' 405' ' ' CYS . 5.6 tmtm? -58.23 -34.88 70.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.999 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -65.0 -33.76 76.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.761 178.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -81.12 -12.58 59.21 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.929 -176.009 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 122.09 14.87 4.43 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.513 -0.851 . . . . 0.0 113.195 176.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 405' ' ' CYS . . . . . 0.562 ' HB3' ' SG ' ' A' ' 414' ' ' CYS . 71.2 m -93.94 147.65 22.9 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.166 0.508 . . . . 0.0 111.293 179.644 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 9.2 p -136.91 141.87 39.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 175.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 407' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -76.52 125.77 29.82 Favored 'General case' 0 N--CA 1.44 -0.956 0 C-N-CA 119.825 -0.75 . . . . 0.0 109.034 177.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -111.5 99.15 7.97 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.149 0.499 . . . . 0.0 109.777 -174.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 17.1 p -66.46 -17.15 64.63 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.58 -0.737 . . . . 0.0 111.859 -174.031 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -68.7 -26.33 65.23 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.293 0.568 . . . . 0.0 109.663 -178.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 12.8 p -117.36 -0.37 12.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.383 176.291 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 10.0 t30 68.94 10.28 7.84 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.318 176.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 413' ' ' LYS . . . . . 0.494 ' HA ' ' HA ' ' A' ' 392' ' ' ASP . 5.2 ptpp? -135.97 168.11 19.96 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 121.996 -0.44 . . . . 0.0 111.34 -176.437 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 414' ' ' CYS . . . . . 0.562 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 49.6 t -74.66 138.94 43.2 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.537 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -138.45 158.46 44.23 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.393 -176.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.556 HD13 ' HB3' ' A' ' 383' ' ' LYS . 56.1 tp . . . . . 0 C--N 1.327 -0.381 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 174.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.222 -0.344 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 419' ' ' ASP . . . . . 0.608 ' O ' ' HD3' ' A' ' 423' ' ' LYS . 33.7 t70 -63.75 -37.68 88.28 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.095 0.474 . . . . 0.0 110.346 176.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 93.6 t -76.1 -41.6 37.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.254 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 421' ' ' LYS . . . . . 0.412 ' O ' ' HG2' ' A' ' 425' ' ' GLU . 19.6 ttmt -68.28 -36.2 79.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.896 0.379 . . . . 0.0 110.652 -179.412 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -59.78 -44.58 93.83 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.054 175.28 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 423' ' ' LYS . . . . . 0.608 ' HD3' ' O ' ' A' ' 419' ' ' ASP . 0.6 OUTLIER -81.26 -6.18 58.59 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.386 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 64.0 tp -89.34 -58.82 2.4 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.873 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 425' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' A' ' 421' ' ' LYS . 9.6 pt-20 . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.655 -176.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 49.2 m . . . . . 0 N--CA 1.455 -0.214 0 CA-C-O 120.743 0.306 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -65.01 -41.75 95.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.165 179.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -59.06 -58.63 7.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.506 -175.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 382' ' ' ASN . . . . . 0.572 ' O ' HG13 ' A' ' 386' ' ' ILE . 2.9 p30 -70.15 -32.25 70.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.058 -173.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 383' ' ' LYS . . . . . 0.483 ' HB3' HD13 ' A' ' 416' ' ' LEU . 13.3 mptt -68.74 -46.23 69.41 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -179.667 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -59.15 -41.36 88.16 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.296 177.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 385' ' ' LYS . . . . . 0.422 ' HD2' ' HA ' ' A' ' 385' ' ' LYS . 19.5 tptm -67.58 -29.05 68.31 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.973 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 386' ' ' ILE . . . . . 0.572 HG13 ' O ' ' A' ' 382' ' ' ASN . 79.6 mt -65.54 -44.14 94.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 175.007 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 14.4 m -61.59 -41.89 98.08 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.113 175.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.59 -17.76 61.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.565 -177.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -77.86 -22.84 49.23 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.25 0.548 . . . . 0.0 110.586 176.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -87.41 -35.24 18.42 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.036 178.2 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 45.0 mtmt 67.23 -86.34 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 114.971 -1.013 . . . . 0.0 112.366 174.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -121.93 -9.22 8.79 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.64 -171.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -75.51 85.99 2.61 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.525 0.678 . . . . 0.0 110.568 -175.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -53.95 -45.32 71.27 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.362 -1.29 . . . . 0.0 112.725 -172.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 395' ' ' LYS . . . . . 0.431 ' HD2' ' HA ' ' A' ' 395' ' ' LYS . 38.7 tptt -64.06 -40.23 95.82 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.911 -0.316 . . . . 0.0 111.081 -175.088 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 396' ' ' ALA . . . . . 0.483 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -63.08 -31.95 73.21 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.646 0.736 . . . . 0.0 109.922 177.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 397' ' ' CYS . . . . . 0.537 ' HA ' ' CD1' ' A' ' 400' ' ' LEU . 86.3 m -76.94 -35.99 56.88 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 114.911 -1.041 . . . . 0.0 111.31 -178.354 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -55.96 -36.5 67.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.811 0.339 . . . . 0.0 110.284 171.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 41.2 m-80 -64.42 -46.25 84.05 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.201 178.082 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.537 ' CD1' ' HA ' ' A' ' 397' ' ' CYS . 1.8 pp -98.44 18.7 15.93 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.895 0.379 . . . . 0.0 111.779 -177.618 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . 0.645 ' HA ' ' O ' ' A' ' 405' ' ' CYS . 14.1 tmtt? -56.52 -46.65 80.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.211 179.105 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -62.06 -19.59 63.08 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.625 -176.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 403' ' ' LYS . . . . . 0.476 ' HD2' ' HB2' ' A' ' 400' ' ' LEU . 61.8 mttp -76.02 -20.99 57.35 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.518 -178.422 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 404' ' ' GLY . . . . . 0.422 ' O ' HD12 ' A' ' 416' ' ' LEU . . . 136.59 -6.6 3.87 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.381 177.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 405' ' ' CYS . . . . . 0.645 ' O ' ' HA ' ' A' ' 401' ' ' LYS . 73.3 m -94.89 113.54 25.28 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.151 0.501 . . . . 0.0 111.638 -175.048 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 39.5 t -110.92 136.6 46.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 175.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 407' ' ' PHE . . . . . 0.538 ' HD1' ' SG ' ' A' ' 414' ' ' CYS . 27.0 t80 -75.16 122.37 23.52 Favored 'General case' 0 N--CA 1.44 -0.955 0 C-N-CA 119.858 -0.737 . . . . 0.0 109.711 178.075 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -99.14 110.3 22.88 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 -179.299 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 2.7 p -76.04 -15.97 60.03 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.927 0.394 . . . . 0.0 111.585 -177.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -84.39 -52.91 5.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.075 178.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 20.7 m -71.9 -24.78 61.71 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.084 0.468 . . . . 0.0 109.786 175.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 70.14 47.51 0.56 Allowed 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.295 175.58 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -161.0 161.15 31.4 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.284 174.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 414' ' ' CYS . . . . . 0.538 ' SG ' ' HD1' ' A' ' 407' ' ' PHE . 59.9 m -73.97 118.08 16.5 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 172.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -127.81 133.53 49.42 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.574 -168.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.553 HD21 ' HD3' ' A' ' 421' ' ' LYS . 36.4 tp . . . . . 0 C--N 1.327 -0.379 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 174.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 418' ' ' LYS . . . . . 0.58 ' O ' ' HB2' ' A' ' 422' ' ' GLU . 16.2 ptmt . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 120.783 0.325 . . . . 0.0 110.764 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.2 -51.41 53.8 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.76 178.657 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 76.6 t -69.58 -42.91 80.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 120.837 0.351 . . . . 0.0 110.328 178.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 421' ' ' LYS . . . . . 0.553 ' HD3' HD21 ' A' ' 416' ' ' LEU . 3.6 ttpp -65.21 -27.82 68.95 Favored 'General case' 0 C--O 1.213 -0.855 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.304 -179.557 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 422' ' ' GLU . . . . . 0.58 ' HB2' ' O ' ' A' ' 418' ' ' LYS . 1.4 tp10 -72.81 -42.38 63.9 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.274 0.559 . . . . 0.0 109.536 -178.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -65.74 -37.94 87.76 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.181 177.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 56.4 tp -75.67 -34.73 60.48 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.791 178.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 425' ' ' GLU . . . . . 0.53 ' HB2' ' O ' ' A' ' 421' ' ' LYS . 6.8 tp10 . . . . . 0 C--O 1.234 0.267 0 CA-C-O 121.516 0.674 . . . . 0.0 109.454 179.261 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 14.7 m . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -53.34 -47.24 69.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.878 0.371 . . . . 0.0 110.479 177.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -66.51 -40.99 89.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.099 -179.662 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 382' ' ' ASN . . . . . 0.487 ' O ' HG13 ' A' ' 386' ' ' ILE . 22.0 m-80 -61.32 -52.21 65.63 Favored 'General case' 0 CA--C 1.507 -0.697 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.783 179.054 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 383' ' ' LYS . . . . . 0.573 ' HB3' HD13 ' A' ' 416' ' ' LEU . 1.7 mptm? -57.08 -45.84 83.02 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.658 179.32 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -55.32 -50.61 69.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.687 174.005 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -54.57 -40.7 69.04 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.273 0.472 . . . . 0.0 112.273 178.807 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 386' ' ' ILE . . . . . 0.487 HG13 ' O ' ' A' ' 382' ' ' ASN . 51.5 mt -68.48 -41.17 83.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 121.099 0.476 . . . . 0.0 109.916 -178.87 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 38.9 m -68.27 -44.9 74.54 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.513 177.112 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -66.66 -27.37 67.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.04 -175.664 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -63.63 -16.38 60.8 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.338 0.495 . . . . 0.0 112.338 178.391 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -85.76 -26.4 25.85 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.188 0.518 . . . . 0.0 109.829 178.166 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 60.9 mttm 55.34 -103.07 0.17 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 114.718 -1.128 . . . . 0.0 113.153 176.402 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -98.68 -21.33 16.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.918 -168.578 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -78.32 104.22 8.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.284 0.564 . . . . 0.0 110.666 -177.357 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -64.02 -37.73 88.48 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.186 -0.916 . . . . 0.0 111.282 -178.448 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -62.3 -45.18 94.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.445 -177.372 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 396' ' ' ALA . . . . . 0.48 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -64.44 -39.75 94.43 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-O 120.795 0.331 . . . . 0.0 110.393 178.761 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 397' ' ' CYS . . . . . 0.437 ' O ' HD12 ' A' ' 400' ' ' LEU . 44.3 t -57.77 -50.75 72.21 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.525 0.678 . . . . 0.0 110.401 177.053 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 398' ' ' GLU . . . . . 0.819 ' HA ' ' HB2' ' A' ' 401' ' ' LYS . 34.9 mt-10 -80.32 0.5 32.66 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.4 -177.366 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -80.65 -43.69 20.03 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.249 0.547 . . . . 0.0 109.588 168.333 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 1.3 pp -97.23 14.38 26.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.332 176.881 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . 0.819 ' HB2' ' HA ' ' A' ' 398' ' ' GLU . 57.2 tptt -41.99 -36.6 1.15 Allowed 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 114.336 -1.302 . . . . 0.0 112.96 174.502 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -61.41 -21.88 64.5 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 120.616 0.246 . . . . 0.0 111.603 -176.5 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 403' ' ' LYS . . . . . 0.401 ' CD ' HG21 ' A' ' 386' ' ' ILE . 65.3 mttm -75.3 -6.77 51.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.914 0.387 . . . . 0.0 110.748 179.175 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 100.3 16.1 28.35 Favored Glycine 0 N--CA 1.447 -0.628 0 N-CA-C 111.659 -0.577 . . . . 0.0 111.659 -178.303 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 71.3 m -89.27 103.93 16.52 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 121.181 0.515 . . . . 0.0 110.927 -178.2 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 2.5 p -101.6 122.36 53.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.874 176.27 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 407' ' ' PHE . . . . . 0.598 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 36.7 t80 -64.15 123.35 18.84 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 179.157 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -99.72 108.66 21.04 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.201 -176.074 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 4.2 p -76.51 -22.78 54.01 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.263 -178.487 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -63.91 -41.04 97.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.897 0.379 . . . . 0.0 110.779 -177.87 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 16.3 m -108.13 0.68 21.73 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 179.441 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 5.7 t30 54.99 69.61 0.71 Allowed 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.312 -179.233 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 17.0 pttp -177.3 145.79 0.46 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.447 174.82 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 414' ' ' CYS . . . . . 0.598 ' HA ' ' HA ' ' A' ' 407' ' ' PHE . 53.4 t -70.49 123.11 21.01 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 176.207 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -136.09 172.26 13.27 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.408 -176.928 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.916 HD23 ' HD3' ' A' ' 418' ' ' LYS . 24.5 tp . . . . . 0 C--N 1.321 -0.668 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 418' ' ' LYS . . . . . 0.916 ' HD3' HD23 ' A' ' 416' ' ' LEU . 19.3 mtpp . . . . . 0 CA--C 1.517 -0.298 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 419' ' ' ASP . . . . . 0.496 ' O ' ' HG2' ' A' ' 423' ' ' LYS . 15.0 t70 -68.87 -41.07 78.9 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.159 -172.68 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 94.5 t -66.25 -44.58 91.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.849 -179.606 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 25.6 ttmt -72.02 -23.33 61.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.102 0.477 . . . . 0.0 110.239 179.025 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 422' ' ' GLU . . . . . 0.443 ' HB3' ' O ' ' A' ' 419' ' ' ASP . 34.8 tt0 -64.04 -41.82 97.27 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.798 172.137 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 423' ' ' LYS . . . . . 0.496 ' HG2' ' O ' ' A' ' 419' ' ' ASP . 46.7 mmtm -75.47 -13.83 60.4 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.271 178.754 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 63.8 tp -83.45 -36.74 23.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.098 174.317 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 . . . . . 0 C--O 1.232 0.181 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 176.379 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 379' ' ' SER . . . . . 0.533 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 6.2 m . . . . . 0 N--CA 1.454 -0.243 0 CA-C-O 120.44 0.162 . . . . 0.0 111.351 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 380' ' ' ALA . . . . . 0.619 ' HB2' ' HG ' ' A' ' 424' ' ' LEU . . . -70.73 -41.04 72.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.818 0.342 . . . . 0.0 110.347 178.672 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -55.01 -57.86 9.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.536 -175.848 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 382' ' ' ASN . . . . . 0.523 ' O ' HG13 ' A' ' 386' ' ' ILE . 1.9 p30 -75.72 -37.35 59.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.131 -174.882 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 383' ' ' LYS . . . . . 0.533 ' HB2' ' O ' ' A' ' 379' ' ' SER . 10.8 mptt -66.46 -46.07 77.63 Favored 'General case' 0 CA--C 1.517 -0.299 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.124 -178.028 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -58.45 -46.81 85.8 Favored 'General case' 0 C--O 1.222 -0.373 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.02 175.242 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -60.78 -34.7 74.88 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.388 -179.077 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 386' ' ' ILE . . . . . 0.523 HG13 ' O ' ' A' ' 382' ' ' ASN . 75.9 mt -68.89 -48.58 69.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 178.254 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 62.8 m -64.01 -42.39 97.16 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.827 179.159 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -76.31 -17.33 59.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.723 -174.496 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -62.5 -27.61 69.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.28 176.731 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -77.3 -24.03 50.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.113 0.482 . . . . 0.0 109.748 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 56.5 mttp 58.93 -108.21 0.39 Allowed 'General case' 0 C--O 1.234 0.269 0 CA-C-N 114.957 -1.019 . . . . 0.0 111.74 174.707 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -101.93 -0.61 33.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.734 -177.034 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -85.32 106.48 16.74 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.084 0.469 . . . . 0.0 110.151 -178.631 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 394' ' ' GLN . . . . . 0.431 ' O ' ' HG2' ' A' ' 398' ' ' GLU . 6.3 tt0 -69.54 -40.01 77.12 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.43 -176.599 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -60.68 -42.05 96.34 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.933 0.397 . . . . 0.0 110.875 -176.811 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 396' ' ' ALA . . . . . 0.488 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -62.11 -36.69 82.49 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.106 175.941 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 7.9 t -69.29 -39.16 78.49 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.597 -179.781 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 398' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 394' ' ' GLN . 62.3 mm-40 -62.03 -27.15 68.68 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.58 176.817 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -79.15 -25.62 42.86 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.259 174.532 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 92.6 mt -91.05 1.82 56.79 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.94 179.691 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 17.7 mmtp -51.62 -36.68 46.81 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 123.078 0.551 . . . . 0.0 111.324 175.376 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -56.15 -39.4 72.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.671 177.837 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 403' ' ' LYS . . . . . 0.425 ' HD2' ' N ' ' A' ' 403' ' ' LYS . 3.2 mptp? -79.44 -15.44 57.81 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.816 -174.351 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 108.88 10.59 24.33 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.505 -0.855 . . . . 0.0 111.969 -177.314 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 58.7 m -84.23 132.39 34.65 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 178.49 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 65.2 t -131.78 128.65 60.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 178.353 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 407' ' ' PHE . . . . . 0.442 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 26.3 t80 -65.98 120.61 13.42 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-O 121.325 0.583 . . . . 0.0 109.707 177.4 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -105.91 108.88 20.63 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.299 -175.338 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.65 -14.06 60.35 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.921 0.391 . . . . 0.0 111.597 -177.364 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -55.95 -52.29 64.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.08 171.931 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 42.4 t -98.28 -8.96 26.24 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.205 -179.786 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 6.3 t30 55.66 68.12 0.91 Allowed 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.008 -171.901 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 6.1 tppp? -166.32 143.7 5.22 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.133 -172.096 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 414' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 407' ' ' PHE . 51.2 t -75.94 120.22 20.98 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.741 -0.836 . . . . 0.0 108.741 169.732 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -137.22 152.94 50.42 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.268 -174.756 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.432 ' HG ' HG23 ' A' ' 420' ' ' VAL . 36.2 tp . . . . . 0 C--N 1.324 -0.539 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 175.413 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 418' ' ' LYS . . . . . 0.425 ' HE3' ' HB2' ' A' ' 418' ' ' LYS . 15.2 ptmt . . . . . 0 C--O 1.222 -0.366 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -65.03 -42.14 94.63 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.019 0.438 . . . . 0.0 111.445 -176.026 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 420' ' ' VAL . . . . . 0.432 HG23 ' HG ' ' A' ' 416' ' ' LEU . 10.4 m -82.7 -31.66 9.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 C-N-CA 120.719 -0.393 . . . . 0.0 111.069 -179.921 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -71.5 -32.24 68.0 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.612 177.656 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -75.02 -28.79 60.62 Favored 'General case' 0 C--O 1.218 -0.584 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 176.26 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 423' ' ' LYS . . . . . 0.614 ' O ' ' HD3' ' A' ' 423' ' ' LYS . 8.4 tmtt? -69.7 -31.32 69.28 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.438 0.637 . . . . 0.0 109.486 174.697 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 424' ' ' LEU . . . . . 0.619 ' HG ' ' HB2' ' A' ' 380' ' ' ALA . 3.2 tm? -63.51 -39.88 95.59 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.917 177.696 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 . . . . . 0 C--N 1.324 -0.523 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.66 173.343 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 10.8 p . . . . . 0 N--CA 1.455 -0.206 0 CA-C-O 120.957 0.408 . . . . 0.0 110.79 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -69.16 -41.84 76.72 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.782 179.526 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -53.77 -58.94 5.41 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.377 -177.826 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 382' ' ' ASN . . . . . 0.501 ' O ' HG13 ' A' ' 386' ' ' ILE . 3.4 p30 -72.62 -30.77 64.62 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.183 -174.134 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 383' ' ' LYS . . . . . 0.659 ' HB3' HD13 ' A' ' 416' ' ' LEU . 13.4 mptt -68.72 -43.17 76.52 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-O 120.993 0.425 . . . . 0.0 109.889 -179.29 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -57.53 -39.51 76.75 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.041 175.872 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -68.75 -37.68 79.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.545 178.908 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 386' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 382' ' ' ASN . 80.8 mt -63.07 -46.93 94.87 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.341 0 CA-C-O 121.269 0.557 . . . . 0.0 109.527 177.927 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 61.7 m -62.2 -44.57 96.28 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.732 177.915 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -74.75 -19.58 60.16 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -174.727 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -72.71 -11.62 60.7 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.84 0.352 . . . . 0.0 110.925 176.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -90.92 -14.88 30.78 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 175.415 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? 54.78 -99.88 0.1 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 114.477 -1.238 . . . . 0.0 112.31 178.621 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -128.15 13.05 6.67 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.305 -174.682 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -83.33 98.36 9.4 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.281 178.593 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -62.29 -32.56 73.3 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 121.138 -0.225 . . . . 0.0 110.939 -178.908 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -57.68 -51.99 67.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.992 0.425 . . . . 0.0 110.051 175.974 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 396' ' ' ALA . . . . . 0.572 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -66.23 -34.9 79.06 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.342 -179.523 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 397' ' ' CYS . . . . . 0.516 ' SG ' ' HD2' ' A' ' 407' ' ' PHE . 59.9 m -62.61 -42.48 99.6 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.349 176.703 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -60.37 -33.93 73.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.797 0.332 . . . . 0.0 110.992 176.594 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 38.0 m-80 -65.59 -52.62 50.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.095 177.746 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 1.8 pp -95.49 15.62 19.2 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 111.976 0.362 . . . . 0.0 111.976 -175.59 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -62.1 -33.63 74.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.43 0.634 . . . . 0.0 109.368 176.104 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 402' ' ' GLU . . . . . 0.441 ' HG3' ' HG3' ' A' ' 403' ' ' LYS . 3.3 pt-20 -59.67 -25.06 64.43 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.584 176.301 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 403' ' ' LYS . . . . . 0.441 ' HG3' ' HG3' ' A' ' 402' ' ' GLU . 59.1 mttp -89.88 2.49 54.94 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.476 -172.871 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 404' ' ' GLY . . . . . 0.401 ' O ' HD12 ' A' ' 416' ' ' LEU . . . 103.02 17.59 17.93 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.218 -0.992 . . . . 0.0 112.786 176.783 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 71.5 m -104.71 137.66 42.18 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.273 177.703 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 10.9 p -125.27 140.38 48.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.949 179.505 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 407' ' ' PHE . . . . . 0.516 ' HD2' ' SG ' ' A' ' 397' ' ' CYS . 37.6 t80 -84.23 130.87 34.79 Favored 'General case' 0 N--CA 1.441 -0.898 0 CA-C-O 121.446 0.641 . . . . 0.0 110.478 179.206 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 408' ' ' ASN . . . . . 0.44 ' O ' ' HA ' ' A' ' 412' ' ' ASN . 52.1 t-20 -99.53 122.5 42.68 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.397 -0.82 . . . . 0.0 108.842 179.17 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 17.4 p -91.7 -11.34 37.18 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.941 0.401 . . . . 0.0 111.383 -176.847 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -82.27 -59.27 2.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.682 176.678 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 4.4 m -77.9 -17.51 57.21 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.05 177.075 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 412' ' ' ASN . . . . . 0.44 ' HA ' ' O ' ' A' ' 408' ' ' ASN . 4.8 t30 60.88 66.59 0.89 Allowed 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.144 -0.934 . . . . 0.0 110.598 178.673 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -172.35 159.63 4.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.671 179.438 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 414' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.02 138.64 39.71 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.405 174.477 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -140.1 165.61 26.9 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.785 175.312 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.659 HD13 ' HB3' ' A' ' 383' ' ' LYS . 44.9 tp . . . . . 0 C--N 1.328 -0.352 0 CA-C-O 120.719 0.295 . . . . 0.0 110.619 178.708 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt . . . . . 0 C--O 1.221 -0.398 0 CA-C-O 120.466 0.174 . . . . 0.0 111.272 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -50.39 -58.03 6.63 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-O 121.513 0.673 . . . . 0.0 111.132 -178.976 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 68.3 t -63.0 -49.22 84.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.859 -177.775 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 421' ' ' LYS . . . . . 0.431 ' HA ' ' HB3' ' A' ' 424' ' ' LEU . 4.3 tmmm? -69.69 -24.35 63.57 Favored 'General case' 0 C--O 1.214 -0.802 0 C-N-CA 120.401 -0.52 . . . . 0.0 111.701 -176.803 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -65.95 -49.49 67.72 Favored 'General case' 0 C--N 1.316 -0.891 0 O-C-N 121.952 -0.467 . . . . 0.0 110.119 179.177 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 6.3 ptpp? -81.79 -3.2 53.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.047 178.401 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 424' ' ' LEU . . . . . 0.431 ' HB3' ' HA ' ' A' ' 421' ' ' LYS . 8.2 tt -96.02 -39.32 9.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.764 174.414 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 . . . . . 0 C--N 1.331 -0.212 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.788 -178.61 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 58.2 m . . . . . 0 N--CA 1.456 -0.167 0 CA-C-O 120.361 0.124 . . . . 0.0 111.323 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -65.95 -38.05 87.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.697 0.284 . . . . 0.0 110.741 179.772 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -63.63 -62.56 1.58 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.814 -178.955 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 382' ' ' ASN . . . . . 0.517 ' O ' HG13 ' A' ' 386' ' ' ILE . 4.2 p30 -65.29 -33.0 74.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.523 -172.034 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 383' ' ' LYS . . . . . 0.602 ' HB3' HD22 ' A' ' 416' ' ' LEU . 5.4 mptp? -67.25 -44.46 79.35 Favored 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.273 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -58.92 -45.23 90.85 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.757 175.814 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -60.21 -39.71 87.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.21 -179.5 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 386' ' ' ILE . . . . . 0.517 HG13 ' O ' ' A' ' 382' ' ' ASN . 78.2 mt -65.67 -44.58 93.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.253 0.549 . . . . 0.0 109.762 179.891 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 59.3 m -66.42 -40.45 89.57 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.448 -0.797 . . . . 0.0 110.507 178.639 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 388' ' ' ASN . . . . . 0.432 HD22 ' N ' ' A' ' 388' ' ' ASN . 0.9 OUTLIER -79.58 -5.02 54.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.682 -179.321 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -75.7 -29.01 58.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.029 0.442 . . . . 0.0 110.022 171.015 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -85.04 -23.97 28.36 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.263 175.618 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 67.2 mttm 64.96 -91.24 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 114.629 -1.169 . . . . 0.0 111.866 173.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -129.63 14.49 5.96 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.926 0.393 . . . . 0.0 110.798 179.36 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -81.21 105.89 12.76 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.265 174.378 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 22.8 tm0? -62.55 -44.13 97.09 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 179.808 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -53.47 -51.9 61.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.277 -179.841 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 396' ' ' ALA . . . . . 0.417 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -65.82 -27.26 68.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.363 -179.298 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 27.6 t -80.63 -35.89 33.34 Favored 'General case' 0 CA--C 1.508 -0.653 0 CA-C-O 122.112 0.958 . . . . 0.0 108.499 -174.964 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 398' ' ' GLU . . . . . 0.505 ' O ' ' HB2' ' A' ' 401' ' ' LYS . 5.5 tp10 -58.74 -35.08 72.15 Favored 'General case' 0 N--CA 1.423 -1.784 0 CA-C-N 113.674 -1.603 . . . . 0.0 110.091 175.381 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -75.55 -37.03 60.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.604 175.398 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.71 ' HA ' ' HD3' ' A' ' 403' ' ' LYS . 97.5 mt -82.11 6.34 16.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.076 -179.536 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . 0.527 ' HA ' ' O ' ' A' ' 405' ' ' CYS . 9.4 tptm -46.18 -47.34 17.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.505 177.205 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -65.31 -17.32 64.42 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.663 -0.698 . . . . 0.0 112.065 -176.066 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 403' ' ' LYS . . . . . 0.71 ' HD3' ' HA ' ' A' ' 400' ' ' LEU . 3.5 mptp? -91.18 -7.53 51.17 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.841 0.353 . . . . 0.0 110.843 -173.933 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 404' ' ' GLY . . . . . 0.419 ' O ' HD12 ' A' ' 416' ' ' LEU . . . 114.14 1.05 23.82 Favored Glycine 0 N--CA 1.45 -0.403 0 N-CA-C 111.593 -0.603 . . . . 0.0 111.593 -178.804 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 405' ' ' CYS . . . . . 0.663 ' HB3' ' SG ' ' A' ' 414' ' ' CYS . 82.4 m -92.53 128.13 38.27 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.293 0.568 . . . . 0.0 111.74 -174.336 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 12.5 p -137.36 138.86 44.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 175.536 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 407' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -70.45 129.56 39.58 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-O 121.102 0.477 . . . . 0.0 110.26 -178.071 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -112.13 111.01 21.61 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.467 -179.567 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 11.2 p -80.84 -1.89 45.06 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.685 -176.461 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -69.79 -44.83 69.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.268 0.556 . . . . 0.0 109.635 176.51 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 8.3 p -108.26 -5.68 16.7 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.401 177.511 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 7.9 t30 56.4 76.2 0.31 Allowed 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.118 -0.946 . . . . 0.0 110.52 -175.142 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -165.61 172.02 12.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.741 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 414' ' ' CYS . . . . . 0.663 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 51.1 t -93.39 117.18 29.77 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 169.745 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -128.26 153.41 46.99 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.775 0.321 . . . . 0.0 110.272 -175.122 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.602 HD22 ' HB3' ' A' ' 383' ' ' LYS . 27.2 tp . . . . . 0 C--N 1.325 -0.463 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 173.605 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 418' ' ' LYS . . . . . 0.428 ' HB3' ' HE3' ' A' ' 418' ' ' LYS . 12.7 ttpp . . . . . 0 C--O 1.221 -0.395 0 CA-C-O 121.552 0.691 . . . . 0.0 110.212 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -78.35 -17.06 57.03 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 114.863 -1.062 . . . . 0.0 111.289 -174.981 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 61.4 t -82.6 -40.64 16.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 172.011 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -59.92 -43.74 94.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.572 172.807 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -67.39 -38.65 85.02 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.38 -1.282 . . . . 0.0 110.484 179.188 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 30.5 ttmt -56.89 -39.02 73.61 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.384 0.611 . . . . 0.0 110.452 178.48 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 66.9 mt -72.83 -66.36 0.68 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.171 -0.922 . . . . 0.0 112.02 -176.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 . . . . . 0 C--N 1.32 -0.674 0 CA-C-O 121.203 0.525 . . . . 0.0 111.761 -172.155 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 12.4 p . . . . . 0 C--O 1.233 0.204 0 CA-C-O 121.064 0.459 . . . . 0.0 110.747 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -70.52 -39.01 74.32 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.668 178.977 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -58.16 -55.25 37.44 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.244 -177.069 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 382' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -70.83 -34.32 71.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.88 -175.739 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 383' ' ' LYS . . . . . 0.409 ' HE3' ' HB3' ' A' ' 403' ' ' LYS . 12.9 mptt -63.99 -52.27 60.37 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 178.839 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -55.7 -43.05 76.08 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.975 -1.011 . . . . 0.0 110.577 178.362 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -66.25 -43.29 86.93 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.105 -178.219 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 386' ' ' ILE . . . . . . . . . . . . . 83.5 mt -69.58 -41.36 80.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.269 -178.935 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 77.7 m -58.77 -45.0 90.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.184 0.516 . . . . 0.0 109.783 174.884 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.95 -25.06 60.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.416 -177.813 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -72.91 -11.52 60.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.036 176.033 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -85.21 -15.62 43.01 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.225 -0.658 . . . . 0.0 109.225 176.775 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 66.6 mttm 59.75 -139.99 0.65 Allowed 'General case' 0 C--O 1.234 0.276 0 CA-C-N 114.806 -1.088 . . . . 0.0 111.455 174.253 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -88.81 6.33 39.45 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.764 179.938 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -75.39 99.21 4.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.044 0.45 . . . . 0.0 110.025 178.253 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -65.53 -44.87 85.55 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.915 -176.705 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -61.62 -42.31 98.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.839 0.352 . . . . 0.0 110.18 -178.631 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 396' ' ' ALA . . . . . 0.476 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -66.26 -40.03 89.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.76 179.043 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 38.9 t -62.45 -48.12 81.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.16 0.505 . . . . 0.0 110.282 177.745 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -63.94 -20.07 65.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.349 -179.429 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -71.9 -62.34 1.46 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.98 0.419 . . . . 0.0 110.229 174.486 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 1.9 pp -81.48 11.62 4.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.601 -176.551 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . 0.473 ' HG3' ' O ' ' A' ' 405' ' ' CYS . 65.8 tttt -54.62 -20.62 8.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.462 176.603 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -46.86 -40.62 14.29 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.354 173.039 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 403' ' ' LYS . . . . . 0.409 ' HB3' ' HE3' ' A' ' 383' ' ' LYS . 54.2 mttm -75.6 -16.09 60.27 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.827 -175.452 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 109.77 40.17 1.48 Allowed Glycine 0 N--CA 1.445 -0.745 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.837 -177.214 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 405' ' ' CYS . . . . . 0.572 ' HB3' ' SG ' ' A' ' 414' ' ' CYS . 72.1 m -111.54 104.77 13.2 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 -177.112 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 60.3 t -104.55 119.95 54.22 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.697 -178.678 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 407' ' ' PHE . . . . . 0.42 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 33.6 t80 -69.05 121.09 15.97 Favored 'General case' 0 N--CA 1.436 -1.134 0 C-N-CA 120.245 -0.582 . . . . 0.0 109.617 175.94 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -100.69 124.7 46.67 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 178.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 1.6 p -80.88 -29.76 35.63 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.25 0.548 . . . . 0.0 110.995 -179.719 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -71.67 -48.66 46.09 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.757 179.042 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 12.6 t -73.75 -28.84 61.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.525 0.679 . . . . 0.0 109.213 173.59 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 5.7 t30 68.43 50.83 0.69 Allowed 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 114.414 -1.266 . . . . 0.0 111.004 174.113 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -173.12 164.76 4.88 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.968 175.107 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 414' ' ' CYS . . . . . 0.572 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 42.0 t -81.38 111.78 18.06 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.966 0.412 . . . . 0.0 110.063 179.618 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -115.04 169.93 8.73 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.727 -177.692 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.794 HD22 ' HG2' ' A' ' 418' ' ' LYS . 0.9 OUTLIER . . . . . 0 C--N 1.322 -0.597 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 171.168 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 418' ' ' LYS . . . . . 0.794 ' HG2' HD22 ' A' ' 416' ' ' LEU . 9.2 mmpt? . . . . . 0 N--CA 1.457 -0.122 0 CA-C-O 120.765 0.317 . . . . 0.0 110.714 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -79.53 -45.88 18.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.315 -0.402 . . . . 0.0 109.94 -178.275 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 87.5 t -59.56 -42.58 88.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.772 173.633 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -60.98 -44.63 97.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.812 177.509 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -67.17 -42.6 84.01 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.725 -178.027 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -62.49 -41.18 98.63 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.068 0.461 . . . . 0.0 110.391 177.764 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 58.6 tp -67.57 -27.38 66.88 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.451 178.101 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 . . . . . 0 C--N 1.321 -0.659 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.57 178.873 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 12.5 m . . . . . 0 CA--C 1.529 0.163 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -69.96 -36.44 75.23 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.935 0.398 . . . . 0.0 110.819 -178.591 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -65.68 -55.83 15.34 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.315 -174.71 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 382' ' ' ASN . . . . . 0.496 ' O ' HG13 ' A' ' 386' ' ' ILE . 1.5 p30 -73.64 -40.41 63.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.253 -173.222 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -59.41 -50.81 72.52 Favored 'General case' 0 CA--C 1.52 -0.211 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.318 -179.791 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 384' ' ' GLU . . . . . 0.428 ' HG3' HD12 ' A' ' 416' ' ' LEU . 22.7 mt-10 -60.1 -44.24 94.97 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.307 177.693 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 8.2 tmtm? -59.44 -34.99 73.19 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.725 0.297 . . . . 0.0 111.363 -178.26 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 386' ' ' ILE . . . . . 0.496 HG13 ' O ' ' A' ' 382' ' ' ASN . 88.1 mt -65.77 -41.97 91.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.26 0.552 . . . . 0.0 109.545 178.29 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 14.3 m -70.74 -43.57 68.59 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.311 -0.858 . . . . 0.0 110.547 178.211 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -64.45 -26.66 68.54 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.861 -0.608 . . . . 0.0 111.103 -176.613 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -67.18 -23.9 65.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.733 178.738 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -79.38 -32.97 43.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.033 0.444 . . . . 0.0 110.27 -177.918 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm 57.45 -109.77 0.5 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.817 176.444 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -86.73 -18.36 31.34 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.291 -176.784 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -77.31 98.64 5.26 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.596 0.712 . . . . 0.0 111.782 -172.741 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -58.92 -36.69 75.14 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 114.5 -1.227 . . . . 0.0 110.573 177.011 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -66.04 -45.69 80.54 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.153 -178.683 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 396' ' ' ALA . . . . . 0.547 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -62.49 -39.17 92.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.265 178.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 49.1 t -62.56 -48.34 79.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.357 178.948 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 398' ' ' GLU . . . . . 0.606 ' HA ' ' HB2' ' A' ' 401' ' ' LYS . 7.2 mm-40 -65.99 -21.25 66.39 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.69 -179.186 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -70.84 -53.35 15.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.083 0.468 . . . . 0.0 110.539 175.505 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 1.3 pp -90.86 12.2 20.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.348 0.594 . . . . 0.0 110.81 -179.014 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . 0.606 ' HB2' ' HA ' ' A' ' 398' ' ' GLU . 3.3 tttp -53.19 -37.33 61.85 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.935 -1.03 . . . . 0.0 111.117 178.454 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -57.75 -28.77 64.23 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.51 -178.333 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 57.4 mttm -80.66 -2.18 45.55 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.009 -173.833 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 114.75 29.22 2.7 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.987 176.795 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 405' ' ' CYS . . . . . 0.538 ' O ' ' HG2' ' A' ' 401' ' ' LYS . 95.1 m -113.56 148.49 36.02 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.718 0.294 . . . . 0.0 111.165 -176.934 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 42.1 t -145.48 130.46 12.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.293 174.634 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 407' ' ' PHE . . . . . 0.537 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 28.2 t80 -77.11 124.09 27.32 Favored 'General case' 0 N--CA 1.441 -0.889 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 179.429 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -104.86 106.34 16.79 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 -178.651 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 7.2 p -70.55 -12.72 61.75 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.368 -177.933 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -67.18 -56.39 10.11 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.104 178.819 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 8.6 p -90.96 -10.89 40.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.893 179.648 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 6.0 t30 63.21 70.2 0.55 Allowed 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.41 -0.813 . . . . 0.0 110.502 -178.648 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 5.3 ptmm? -178.1 152.28 0.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.698 177.159 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 414' ' ' CYS . . . . . 0.537 ' HA ' ' HA ' ' A' ' 407' ' ' PHE . 49.9 t -82.59 118.81 23.57 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.084 177.012 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -121.92 176.42 5.79 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.733 -177.836 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.428 HD12 ' HG3' ' A' ' 384' ' ' GLU . 1.0 OUTLIER . . . . . 0 C--O 1.233 0.219 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 174.695 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 27.2 tptp . . . . . 0 CA--C 1.523 -0.068 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -61.07 -57.37 12.82 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.295 -0.866 . . . . 0.0 112.799 -170.902 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 57.1 t -63.89 -47.04 92.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.642 -174.096 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 421' ' ' LYS . . . . . 0.484 ' HD3' ' HG2' ' A' ' 425' ' ' GLU . 16.2 tppt? -64.9 -34.05 77.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.613 0.244 . . . . 0.0 110.865 -178.501 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -57.54 -55.79 30.3 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.281 0.563 . . . . 0.0 110.464 176.846 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -84.76 0.79 49.4 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.484 -174.333 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 41.4 tp -89.01 -41.85 12.11 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 176.074 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 425' ' ' GLU . . . . . 0.484 ' HG2' ' HD3' ' A' ' 421' ' ' LYS . 21.7 mm-40 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.112 178.378 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 379' ' ' SER . . . . . 0.589 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 5.2 p . . . . . 0 N--CA 1.451 -0.422 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -60.85 -44.25 97.23 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -174.262 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -80.23 -48.53 12.94 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.502 -0.479 . . . . 0.0 111.133 -171.196 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 382' ' ' ASN . . . . . 0.44 ' O ' HG13 ' A' ' 386' ' ' ILE . 0.0 OUTLIER -66.45 -31.22 71.83 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -177.388 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 383' ' ' LYS . . . . . 0.589 ' HB2' ' O ' ' A' ' 379' ' ' SER . 11.6 mptt -66.74 -43.08 85.09 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 176.586 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 384' ' ' GLU . . . . . 0.887 ' HG2' ' HB2' ' A' ' 416' ' ' LEU . 48.9 mt-10 -66.08 -39.18 89.82 Favored 'General case' 0 C--O 1.217 -0.633 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.308 175.146 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 50.8 tptt -59.78 -48.43 81.72 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 123.065 0.228 . . . . 0.0 111.462 -178.471 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 386' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 382' ' ' ASN . 80.8 mt -58.46 -45.57 89.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 121.204 0.526 . . . . 0.0 110.281 178.529 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 387' ' ' CYS . . . . . 0.49 ' SG ' ' HB2' ' A' ' 414' ' ' CYS . 18.7 t -65.76 -47.5 75.0 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.537 179.062 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -67.14 -21.66 65.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.558 -177.55 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -64.44 -19.02 65.28 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -179.47 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 390' ' ' ALA . . . . . 0.707 ' HB3' ' SG ' ' A' ' 414' ' ' CYS . . . -84.7 -18.06 36.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.415 0.626 . . . . 0.0 109.596 178.549 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 391' ' ' LYS . . . . . 0.567 ' O ' ' HA ' ' A' ' 413' ' ' LYS . 93.4 mttt 58.63 -114.75 0.77 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 114.732 -1.122 . . . . 0.0 112.323 173.722 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -98.5 0.69 45.61 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 -172.505 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -89.83 93.37 9.41 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 178.795 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 394' ' ' GLN . . . . . 0.544 ' O ' ' HG2' ' A' ' 398' ' ' GLU . 60.5 tt0 -55.63 -39.12 70.41 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.98 -175.681 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -57.38 -40.58 78.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.736 0.303 . . . . 0.0 110.909 -179.209 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 396' ' ' ALA . . . . . 0.474 ' HB3' ' HB1' ' A' ' 390' ' ' ALA . . . -66.66 -38.68 87.34 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.419 -179.218 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 397' ' ' CYS . . . . . 0.627 ' SG ' ' HD2' ' A' ' 407' ' ' PHE . 2.3 m -63.5 -50.74 68.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.715 0.769 . . . . 0.0 109.704 177.901 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 398' ' ' GLU . . . . . 0.601 ' HA ' ' HD3' ' A' ' 401' ' ' LYS . 14.5 mm-40 -67.54 -17.66 64.74 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.037 -178.244 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -68.91 -51.74 36.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.134 0.492 . . . . 0.0 110.261 173.792 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.471 ' HB2' ' HD2' ' A' ' 403' ' ' LYS . 1.5 pp -94.11 18.61 10.48 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.337 178.847 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . 0.601 ' HD3' ' HA ' ' A' ' 398' ' ' GLU . 23.7 tptp -39.42 -52.24 2.09 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 114.395 -1.275 . . . . 0.0 113.184 176.708 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -72.0 -1.91 16.31 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 121.042 0.449 . . . . 0.0 112.151 -170.772 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 403' ' ' LYS . . . . . 0.471 ' HD2' ' HB2' ' A' ' 400' ' ' LEU . 96.7 mttt -85.59 3.71 39.46 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.078 0.466 . . . . 0.0 109.952 175.882 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 101.66 32.25 5.18 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.557 -179.694 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 42.9 t -119.51 154.93 33.07 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.785 0.326 . . . . 0.0 110.791 -173.864 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 3.5 p -163.31 127.54 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 175.905 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 407' ' ' PHE . . . . . 0.886 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 50.7 t80 -60.62 124.14 19.5 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 121.431 0.634 . . . . 0.0 110.748 -179.471 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 408' ' ' ASN . . . . . 0.621 ' HB2' ' HB2' ' A' ' 415' ' ' GLU . 34.7 t30 -102.73 95.87 6.48 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.153 -0.931 . . . . 0.0 109.407 -178.464 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 2.8 p -61.7 -25.45 67.42 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.536 -176.561 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -72.06 -20.58 61.65 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.85 -177.876 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 22.9 t -114.5 -7.17 12.84 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.925 176.753 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 67.2 t30 64.97 28.58 12.54 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.505 -179.85 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 413' ' ' LYS . . . . . 0.567 ' HA ' ' O ' ' A' ' 391' ' ' LYS . 23.3 pttp -153.09 153.58 33.13 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.7 176.272 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 414' ' ' CYS . . . . . 0.886 ' HA ' ' HA ' ' A' ' 407' ' ' PHE . 0.0 OUTLIER -65.33 134.46 53.6 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 178.469 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 415' ' ' GLU . . . . . 0.621 ' HB2' ' HB2' ' A' ' 408' ' ' ASN . 2.3 tp10 -119.84 152.43 37.33 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.294 -177.081 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.887 ' HB2' ' HG2' ' A' ' 384' ' ' GLU . 2.3 tt . . . . . 0 C--N 1.326 -0.445 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 174.136 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt . . . . . 0 CA--C 1.52 -0.206 0 CA-C-O 120.771 0.32 . . . . 0.0 111.669 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -63.48 -38.63 91.88 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.579 174.364 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 50.2 t -80.15 -35.81 16.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.935 -176.556 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -62.37 -49.94 73.56 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-O 121.755 0.788 . . . . 0.0 109.719 178.582 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -62.14 -45.81 91.8 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.511 -1.222 . . . . 0.0 110.398 176.815 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 29.1 ttpp -61.21 -35.71 77.93 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.888 178.902 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 65.2 tp -58.59 -49.68 76.57 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.896 -179.027 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 . . . . . 0 CA--C 1.531 0.247 0 C-N-CA 120.253 -0.579 . . . . 0.0 111.116 -179.424 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 379' ' ' SER . . . . . 0.8 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 87.8 p . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 120.455 0.169 . . . . 0.0 111.423 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -63.6 -57.2 10.86 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.609 0.242 . . . . 0.0 111.349 179.914 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -80.12 -37.78 32.89 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.233 -0.587 . . . . 0.0 111.103 -170.629 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 382' ' ' ASN . . . . . 0.627 ' ND2' ' HA ' ' A' ' 379' ' ' SER . 1.1 p30 -75.37 -26.31 58.4 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.311 -0.556 . . . . 0.0 110.849 -176.467 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 383' ' ' LYS . . . . . 0.8 ' HB2' ' O ' ' A' ' 379' ' ' SER . 0.1 OUTLIER -67.89 -53.03 29.71 Favored 'General case' 0 CA--C 1.51 -0.587 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 174.959 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -53.26 -43.07 67.12 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.115 -0.948 . . . . 0.0 111.127 -179.831 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 385' ' ' LYS . . . . . 0.409 ' HD3' ' O ' ' A' ' 385' ' ' LYS . 1.6 tmtp? -61.23 -48.39 81.72 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.025 179.301 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 386' ' ' ILE . . . . . . . . . . . . . 75.5 mt -64.9 -40.59 89.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.31 -178.437 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 387' ' ' CYS . . . . . 0.474 ' O ' ' HB3' ' A' ' 414' ' ' CYS . 65.0 m -59.55 -45.44 91.82 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.001 175.42 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -74.17 -18.23 60.81 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.076 -177.712 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -73.31 -14.83 61.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.164 0.507 . . . . 0.0 110.373 174.712 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 390' ' ' ALA . . . . . 0.566 ' HB2' HD21 ' A' ' 400' ' ' LEU . . . -87.1 -27.38 23.15 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 175.215 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp 61.89 -150.9 0.38 Allowed 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.612 178.029 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 392' ' ' ASP . . . . . 0.577 ' HA ' ' HA ' ' A' ' 413' ' ' LYS . 4.3 p30 -79.32 4.69 14.46 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.845 0.355 . . . . 0.0 111.176 -178.595 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -72.71 107.85 5.39 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 175.481 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.72 -39.03 80.63 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.272 -176.294 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -60.61 -43.46 97.43 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.712 -0.222 . . . . 0.0 110.494 178.517 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 396' ' ' ALA . . . . . 0.523 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -61.42 -38.4 86.97 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.94 0.4 . . . . 0.0 110.381 177.892 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 15.3 t -66.38 -43.61 85.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.016 177.736 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -52.88 -42.0 64.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.247 174.759 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -59.52 -47.15 86.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 -179.113 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.566 HD21 ' HB2' ' A' ' 390' ' ' ALA . 1.4 pp -103.44 19.75 19.14 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.767 -175.64 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . 0.67 ' HD3' ' O ' ' A' ' 405' ' ' CYS . 4.4 tppp? -57.23 -37.99 73.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.96 177.049 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -78.08 4.62 11.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.445 -178.464 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 54.5 mttp -102.14 8.68 40.63 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.995 0.426 . . . . 0.0 110.635 177.487 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 98.21 5.82 57.01 Favored Glycine 0 N--CA 1.451 -0.363 0 CA-C-N 115.767 -0.651 . . . . 0.0 113.025 175.586 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 405' ' ' CYS . . . . . 0.677 ' HB3' ' SG ' ' A' ' 414' ' ' CYS . 91.7 m -91.05 137.34 32.44 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.832 0.349 . . . . 0.0 110.981 -179.208 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 97.4 t -129.46 135.02 62.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.534 179.865 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 407' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -70.74 130.6 42.17 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.111 0.482 . . . . 0.0 110.764 -178.764 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 52.6 t-20 -103.14 123.56 46.92 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.116 178.575 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 11.9 p -81.43 -36.86 28.95 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.858 -177.51 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -71.99 -45.03 62.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.698 -178.405 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 16.2 m -81.03 -24.6 37.78 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.267 177.457 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 54.9 t30 64.52 71.86 0.46 Allowed 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.714 0.769 . . . . 0.0 110.058 177.469 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 413' ' ' LYS . . . . . 0.577 ' HA ' ' HA ' ' A' ' 392' ' ' ASP . 17.2 ptpt 177.63 158.76 0.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.671 -1.15 . . . . 0.0 108.864 -176.74 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 414' ' ' CYS . . . . . 0.677 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 11.4 t -77.04 125.71 29.78 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 172.27 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -136.61 153.6 50.9 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.819 0.342 . . . . 0.0 111.059 -172.007 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.54 HD13 ' HB3' ' A' ' 383' ' ' LYS . 67.7 tp . . . . . 0 C--N 1.324 -0.515 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 174.53 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 418' ' ' LYS . . . . . 0.496 ' C ' ' HD2' ' A' ' 418' ' ' LYS . 1.2 tmmt? . . . . . 0 CA--C 1.515 -0.399 0 CA-C-O 121.07 0.462 . . . . 0.0 110.794 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -56.9 -34.87 68.35 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.691 -173.058 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 46.4 t -79.16 -42.44 23.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.552 -178.644 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 421' ' ' LYS . . . . . 0.419 ' HD3' ' HA ' ' A' ' 421' ' ' LYS . 7.2 tppt? -71.48 -40.25 70.36 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.126 0.489 . . . . 0.0 110.403 -178.207 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -58.68 -50.31 74.34 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.787 178.228 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -82.6 -0.4 46.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.858 0.361 . . . . 0.0 111.664 -178.388 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 53.6 tp -87.14 -47.96 8.45 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 169.374 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 . . . . . 0 C--N 1.326 -0.453 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.108 -179.63 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 379' ' ' SER . . . . . 0.444 ' HA ' ' ND2' ' A' ' 382' ' ' ASN . 19.8 m . . . . . 0 N--CA 1.45 -0.439 0 CA-C-O 121.153 0.501 . . . . 0.0 110.282 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 380' ' ' ALA . . . . . 0.486 ' HB1' ' HD3' ' A' ' 418' ' ' LYS . . . -75.69 -35.07 60.42 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.292 177.391 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -66.51 -46.25 76.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.778 -178.842 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 382' ' ' ASN . . . . . 0.528 ' O ' HG13 ' A' ' 386' ' ' ILE . 4.0 p30 -72.9 -34.52 66.69 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.607 -177.426 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 383' ' ' LYS . . . . . 0.444 ' HB3' HD13 ' A' ' 416' ' ' LEU . 1.4 mptm? -63.96 -44.68 92.04 Favored 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 177.367 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -53.28 -43.31 67.39 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.732 -1.122 . . . . 0.0 110.138 175.62 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -68.19 -35.61 78.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.299 -179.811 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 386' ' ' ILE . . . . . 0.528 HG13 ' O ' ' A' ' 382' ' ' ASN . 82.4 mt -64.32 -43.44 97.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.381 0.61 . . . . 0.0 109.565 179.419 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 22.0 m -63.21 -39.47 94.71 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.231 176.88 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 388' ' ' ASN . . . . . 0.432 ' O ' ' HG3' ' A' ' 391' ' ' LYS . 0.9 OUTLIER -70.31 -19.52 63.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.384 179.446 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -72.06 -21.83 61.47 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.757 0.313 . . . . 0.0 111.242 175.06 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -91.66 -41.08 10.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.915 0.388 . . . . 0.0 110.857 -178.932 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 391' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' A' ' 388' ' ' ASN . 62.6 mttp 57.72 -104.18 0.21 Allowed 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.896 179.034 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -100.76 -3.47 29.99 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.73 0.3 . . . . 0.0 111.168 -174.813 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 45.2 t-20 -78.84 91.47 4.75 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 179.154 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -59.78 -40.54 88.62 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.296 -0.866 . . . . 0.0 111.679 -177.596 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 395' ' ' LYS . . . . . 0.45 ' O ' ' HB3' ' A' ' 399' ' ' ASN . 0.1 OUTLIER -61.15 -48.27 82.37 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -179.3 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 396' ' ' ALA . . . . . 0.718 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -59.53 -42.94 93.43 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.103 177.09 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 41.9 t -57.8 -56.34 23.28 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.962 179.214 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 398' ' ' GLU . . . . . 0.554 ' HA ' ' HB2' ' A' ' 401' ' ' LYS . 41.0 mt-10 -61.92 -32.9 73.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.11 0.481 . . . . 0.0 110.966 -179.434 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 399' ' ' ASN . . . . . 0.45 ' HB3' ' O ' ' A' ' 395' ' ' LYS . 0.0 OUTLIER -67.21 -28.49 68.12 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.033 179.91 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.718 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 3.2 pp -115.8 17.38 16.1 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-O 121.12 0.486 . . . . 0.0 111.059 176.774 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . 0.554 ' HB2' ' HA ' ' A' ' 398' ' ' GLU . 13.6 tmtt? -56.22 -29.65 61.28 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.616 178.132 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -50.3 -32.8 17.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.8 177.016 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -75.98 -14.93 60.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.715 -0.22 . . . . 0.0 111.364 -175.946 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 120.93 -0.53 11.85 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.302 179.268 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 405' ' ' CYS . . . . . 0.52 ' O ' ' HG2' ' A' ' 401' ' ' LYS . 73.4 m -81.3 117.62 21.94 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.09 0.471 . . . . 0.0 111.116 -178.763 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 406' ' ' VAL . . . . . 0.413 HG22 ' HE2' ' A' ' 401' ' ' LYS . 34.8 t -114.46 129.59 70.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.372 178.897 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 407' ' ' PHE . . . . . 0.472 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 29.2 t80 -71.16 125.04 25.86 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-O 121.302 0.573 . . . . 0.0 109.849 179.212 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 408' ' ' ASN . . . . . 0.512 ' O ' ' HA ' ' A' ' 412' ' ' ASN . 13.8 t-20 -98.53 128.03 44.69 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.865 -178.414 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 11.7 p -90.33 -17.73 26.81 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.738 0.304 . . . . 0.0 111.575 -179.043 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -61.79 -57.56 11.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.653 -177.867 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 47.1 m -96.7 -11.62 24.88 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.604 174.288 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 412' ' ' ASN . . . . . 0.512 ' HA ' ' O ' ' A' ' 408' ' ' ASN . 6.8 t30 66.62 75.63 0.32 Allowed 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.488 176.341 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 17.5 ptmt -172.39 156.52 3.79 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.919 -1.037 . . . . 0.0 109.166 -179.251 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 414' ' ' CYS . . . . . 0.509 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 45.2 t -89.0 117.06 27.74 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 178.859 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -131.49 171.34 13.53 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 178.641 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.618 HD23 ' HE3' ' A' ' 418' ' ' LYS . 47.6 tp . . . . . 0 C--N 1.321 -0.666 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 -176.836 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 418' ' ' LYS . . . . . 0.618 ' HE3' HD23 ' A' ' 416' ' ' LEU . 18.4 ttpp . . . . . 0 CA--C 1.519 -0.213 0 CA-C-O 121.335 0.588 . . . . 0.0 111.4 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 419' ' ' ASP . . . . . 0.406 ' O ' ' HG3' ' A' ' 423' ' ' LYS . 4.2 m-20 -77.76 -36.76 50.31 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 114.91 -1.041 . . . . 0.0 110.992 -171.434 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 21.4 t -62.65 -43.81 98.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.659 176.393 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -64.97 -45.39 85.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.639 176.974 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -55.68 -48.74 74.55 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.26 -178.516 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 423' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 419' ' ' ASP . 93.9 mttt -66.4 -29.48 69.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.104 0.478 . . . . 0.0 110.753 179.636 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 50.6 tp -72.79 -45.65 57.4 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.343 178.574 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 . . . . . 0 C--N 1.327 -0.404 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.354 179.586 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 379' ' ' SER . . . . . 0.639 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 23.2 p . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.797 0.332 . . . . 0.0 110.677 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 380' ' ' ALA . . . . . 0.564 ' O ' ' HB2' ' A' ' 384' ' ' GLU . . . -57.4 -44.68 84.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.151 179.492 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -64.55 -56.23 15.36 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.625 -177.955 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 382' ' ' ASN . . . . . 0.55 ' O ' HG13 ' A' ' 386' ' ' ILE . 2.2 p30 -77.11 -36.38 55.59 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -171.631 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 383' ' ' LYS . . . . . 0.639 ' HB2' ' O ' ' A' ' 379' ' ' SER . 13.8 mptt -69.27 -42.74 75.13 Favored 'General case' 0 CA--C 1.52 -0.2 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.446 -178.91 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 384' ' ' GLU . . . . . 0.564 ' HB2' ' O ' ' A' ' 380' ' ' ALA . 11.0 mm-40 -59.45 -44.23 93.0 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-N 116.235 -0.439 . . . . 0.0 109.969 174.865 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.01 -33.82 69.35 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.801 0.334 . . . . 0.0 111.005 -179.776 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 386' ' ' ILE . . . . . 0.68 HG22 HD13 ' A' ' 400' ' ' LEU . 87.3 mt -65.75 -40.21 87.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.394 0.616 . . . . 0.0 109.596 178.769 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 75.3 m -74.63 -44.88 48.33 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.193 178.176 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -66.92 -29.12 68.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.928 -174.902 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -67.54 -16.11 64.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.889 0.376 . . . . 0.0 111.271 178.578 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -98.41 -25.89 14.65 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.694 178.236 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 97.3 mttt 61.39 -89.2 0.03 OUTLIER 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.438 -178.958 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -121.56 11.2 10.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.85 -175.422 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -80.97 90.54 5.96 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.075 -0.65 . . . . 0.0 110.184 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 394' ' ' GLN . . . . . 0.498 ' O ' ' HG3' ' A' ' 398' ' ' GLU . 48.2 tt0 -52.09 -49.84 62.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.591 -0.731 . . . . 0.0 112.057 -178.264 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 47.6 tttp -59.48 -45.14 92.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.822 -171.742 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 396' ' ' ALA . . . . . 0.444 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -63.92 -34.2 77.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.64 0.733 . . . . 0.0 110.153 -179.665 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 81.6 m -78.6 -28.93 45.78 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.432 -178.692 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 398' ' ' GLU . . . . . 0.592 ' O ' ' HB2' ' A' ' 401' ' ' LYS . 45.3 mt-10 -64.81 -26.92 68.55 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.045 0.45 . . . . 0.0 110.089 171.772 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -74.83 -31.23 61.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.458 0.647 . . . . 0.0 109.519 173.041 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.68 HD13 HG22 ' A' ' 386' ' ' ILE . 29.3 mt -88.71 -0.63 57.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.765 178.872 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . 0.592 ' HB2' ' O ' ' A' ' 398' ' ' GLU . 4.6 tmtp? -55.25 -44.84 75.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.26 -174.803 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -69.45 -15.86 63.36 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.969 -176.292 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -83.73 -6.45 59.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.886 178.385 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 106.61 -2.71 36.55 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.705 -0.76 . . . . 0.0 111.933 -179.017 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 405' ' ' CYS . . . . . 0.55 ' O ' ' HA ' ' A' ' 401' ' ' LYS . 22.9 t -85.07 111.94 20.2 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 179.763 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 61.9 t -111.68 125.68 69.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.362 -176.659 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 407' ' ' PHE . . . . . 0.534 ' HD2' ' SG ' ' A' ' 414' ' ' CYS . 34.0 t80 -71.7 119.25 15.59 Favored 'General case' 0 N--CA 1.436 -1.13 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 170.576 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -107.68 106.14 16.32 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.719 -175.132 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -65.26 -22.83 66.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.694 0.283 . . . . 0.0 111.402 -178.735 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -62.04 -36.15 80.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.397 0.618 . . . . 0.0 110.096 171.874 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 12.4 t -98.77 -12.17 21.16 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.148 -176.546 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 8.9 t30 55.91 35.57 25.71 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.266 -176.999 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 10.2 ptpp? -160.17 167.49 27.54 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.88 178.074 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 414' ' ' CYS . . . . . 0.534 ' SG ' ' HD2' ' A' ' 407' ' ' PHE . 35.3 m -77.87 122.85 26.01 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.689 173.774 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -134.84 132.42 38.59 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 -174.273 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.442 HD13 ' HB3' ' A' ' 383' ' ' LYS . 64.3 tp . . . . . 0 C--N 1.33 -0.253 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.105 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 21.5 pttp . . . . . 0 CA--C 1.523 -0.076 0 CA-C-O 121.241 0.543 . . . . 0.0 112.375 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -71.8 -30.3 65.38 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.755 -173.954 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 67.3 t -75.33 -41.01 43.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 174.891 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 5.6 tppp? -57.25 -45.65 83.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.205 0.526 . . . . 0.0 110.227 176.703 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -53.69 -54.79 32.95 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.879 178.268 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -70.36 -27.78 64.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.805 -177.234 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 29.3 tp -76.73 -39.61 51.27 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.961 -176.528 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 . . . . . 0 C--N 1.328 -0.369 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.208 178.44 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 379' ' ' SER . . . . . 0.524 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 16.8 m . . . . . 0 N--CA 1.452 -0.369 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 380' ' ' ALA . . . . . 0.473 ' HB2' ' HE3' ' A' ' 421' ' ' LYS . . . -69.26 -42.04 76.12 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.875 0.369 . . . . 0.0 110.433 178.332 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -58.88 -64.0 1.09 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.65 -179.123 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 382' ' ' ASN . . . . . 0.571 ' O ' HG13 ' A' ' 386' ' ' ILE . 2.9 p30 -70.05 -35.02 73.95 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -170.384 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 383' ' ' LYS . . . . . 0.524 ' HB2' ' O ' ' A' ' 379' ' ' SER . 14.0 mptt -69.32 -40.38 77.64 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.072 0.463 . . . . 0.0 110.505 -177.162 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 384' ' ' GLU . . . . . 0.506 ' HA ' ' HB2' ' A' ' 416' ' ' LEU . 17.7 tt0 -69.78 -31.26 69.1 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.643 -179.404 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -72.32 -27.54 62.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.694 176.493 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 386' ' ' ILE . . . . . 0.571 HG13 ' O ' ' A' ' 382' ' ' ASN . 68.7 mt -67.86 -45.96 83.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 177.718 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 24.6 m -67.68 -32.55 73.28 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.531 176.943 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.47 -23.74 62.75 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.137 178.01 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -66.85 -19.33 65.72 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.888 0.375 . . . . 0.0 110.889 176.087 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -81.29 -25.92 36.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.122 0.487 . . . . 0.0 109.827 178.598 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 95.1 mttt 59.91 -138.2 0.68 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.964 175.822 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 392' ' ' ASP . . . . . 0.445 ' HA ' ' HA ' ' A' ' 413' ' ' LYS . 4.6 p-10 -81.02 9.12 7.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.541 -177.411 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -94.35 99.51 11.71 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.717 179.756 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 394' ' ' GLN . . . . . 0.427 ' O ' ' HG2' ' A' ' 398' ' ' GLU . 10.3 tt0 -65.89 -38.75 89.59 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.373 178.33 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -59.71 -45.7 91.33 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 121.021 0.439 . . . . 0.0 110.172 -177.351 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 396' ' ' ALA . . . . . 0.459 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -62.65 -40.74 98.0 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.516 178.912 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 397' ' ' CYS . . . . . 0.523 ' HA ' HD11 ' A' ' 400' ' ' LEU . 2.0 t -71.38 -38.07 71.55 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.595 -177.589 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 398' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 394' ' ' GLN . 26.2 mm-40 -57.53 -34.32 69.0 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.833 0.349 . . . . 0.0 111.019 175.768 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -69.61 -41.13 76.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.499 179.075 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.523 HD11 ' HA ' ' A' ' 397' ' ' CYS . 2.0 pp -100.15 15.09 28.57 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.178 0.513 . . . . 0.0 111.328 179.983 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . 0.458 ' HG3' ' O ' ' A' ' 405' ' ' CYS . 79.5 tttt -68.11 -13.01 61.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.374 -177.666 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 402' ' ' GLU . . . . . 0.761 ' HG3' ' HD2' ' A' ' 403' ' ' LYS . 8.7 pt-20 -57.59 -19.42 25.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.598 177.621 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 403' ' ' LYS . . . . . 0.761 ' HD2' ' HG3' ' A' ' 402' ' ' GLU . 0.8 OUTLIER -77.99 -53.5 7.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.73 0.3 . . . . 0.0 110.352 176.602 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 404' ' ' GLY . . . . . 0.465 ' O ' HD12 ' A' ' 416' ' ' LEU . . . 148.56 47.51 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.582 -0.818 . . . . 0.0 111.954 177.097 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 405' ' ' CYS . . . . . 0.458 ' O ' ' HG3' ' A' ' 401' ' ' LYS . 53.6 m -106.15 148.35 27.96 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 120.696 0.284 . . . . 0.0 110.411 -175.955 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 8.7 p -133.89 131.71 56.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 178.128 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 407' ' ' PHE . . . . . 0.628 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 30.3 t80 -84.76 124.28 31.37 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-O 120.872 0.367 . . . . 0.0 110.114 -179.582 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -99.33 109.59 22.19 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 178.259 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 8.8 p -70.42 -18.63 63.02 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.767 -174.276 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -75.11 -43.07 54.88 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.397 -177.274 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 21.1 p -85.48 -18.46 33.47 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 174.177 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 6.0 t30 64.35 53.28 1.72 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 114.761 -1.109 . . . . 0.0 109.97 -179.226 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 413' ' ' LYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 392' ' ' ASP . 62.1 pttt -164.41 163.75 22.21 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.604 173.515 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 414' ' ' CYS . . . . . 0.628 ' HA ' ' HA ' ' A' ' 407' ' ' PHE . 14.5 t -99.59 137.9 37.43 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.962 0.411 . . . . 0.0 111.072 -175.566 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -133.64 160.92 36.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.786 -178.039 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.642 ' O ' ' HE2' ' A' ' 418' ' ' LYS . 18.2 tp . . . . . 0 C--N 1.326 -0.454 0 CA-C-O 120.762 0.315 . . . . 0.0 110.244 178.149 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 418' ' ' LYS . . . . . 0.642 ' HE2' ' O ' ' A' ' 416' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.173 0 CA-C-O 120.947 0.403 . . . . 0.0 111.432 . . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -62.39 -38.51 89.89 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.936 174.047 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 58.2 t -75.96 -39.85 37.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.077 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 421' ' ' LYS . . . . . 0.473 ' HE3' ' HB2' ' A' ' 380' ' ' ALA . 58.4 tttm -56.26 -37.94 70.48 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.548 0.689 . . . . 0.0 110.046 174.543 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -60.59 -47.94 83.99 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.737 -1.119 . . . . 0.0 110.768 176.884 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.94 -13.83 59.74 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.582 -178.252 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 58.0 tp -79.98 -60.42 2.35 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.278 178.611 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 . . . . . 0 C--N 1.327 -0.404 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.221 -178.97 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 379' ' ' SER . . . . . 0.684 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 14.2 m . . . . . 0 N--CA 1.455 -0.214 0 CA-C-O 120.819 0.342 . . . . 0.0 110.681 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 380' ' ' ALA . . . . . 0.587 ' HB2' ' HE2' ' A' ' 421' ' ' LYS . . . -67.9 -42.12 81.64 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.259 -179.14 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -64.55 -47.49 78.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.617 -174.309 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 382' ' ' ASN . . . . . 0.543 ' O ' HG13 ' A' ' 386' ' ' ILE . 1.8 p30 -77.85 -33.15 52.33 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.869 -177.109 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 383' ' ' LYS . . . . . 0.684 ' HB2' ' O ' ' A' ' 379' ' ' SER . 12.2 mptt -70.48 -46.09 64.43 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-O 121.272 0.558 . . . . 0.0 109.849 -176.976 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -61.18 -39.25 89.44 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.153 -0.931 . . . . 0.0 109.611 178.145 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.59 -37.14 77.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.633 176.658 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 386' ' ' ILE . . . . . 0.598 HG21 ' HG2' ' A' ' 403' ' ' LYS . 94.7 mt -67.34 -43.51 87.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.254 0.549 . . . . 0.0 109.858 179.034 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 34.5 m -65.48 -37.77 87.8 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.273 176.639 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -69.99 -22.29 63.15 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.686 179.042 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -67.63 -16.49 64.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.857 0.36 . . . . 0.0 111.076 174.928 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -90.94 -18.46 24.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.672 176.103 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 60.7 mttp 59.11 -123.98 1.27 Allowed 'General case' 0 C--O 1.232 0.153 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.625 177.452 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -99.23 11.2 39.75 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.878 -175.677 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 393' ' ' ASN . . . . . 0.404 ' OD1' ' HB3' ' A' ' 395' ' ' LYS . 44.2 t-20 -94.48 114.04 25.98 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.19 0.519 . . . . 0.0 109.967 179.976 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -72.13 -39.56 68.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.798 -176.764 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 395' ' ' LYS . . . . . 0.404 ' HB3' ' OD1' ' A' ' 393' ' ' ASN . 75.4 tttt -56.18 -53.59 55.27 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.046 175.768 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 396' ' ' ALA . . . . . 0.425 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -60.75 -38.15 84.2 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.782 179.35 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 53.6 t -57.43 -53.62 56.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.731 178.64 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 398' ' ' GLU . . . . . 0.923 ' HA ' ' HB2' ' A' ' 401' ' ' LYS . 14.6 mt-10 -69.15 -14.9 63.25 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.911 -178.258 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 399' ' ' ASN . . . . . 0.414 ' ND2' ' HA ' ' A' ' 396' ' ' ALA . 94.9 m-20 -70.48 -38.76 74.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.763 0.316 . . . . 0.0 110.356 173.511 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 1.4 pp -107.46 13.87 26.45 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.467 0.651 . . . . 0.0 111.116 179.687 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . 0.923 ' HB2' ' HA ' ' A' ' 398' ' ' GLU . 85.6 tttt -55.8 -27.71 52.55 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.812 -1.086 . . . . 0.0 113.685 -177.807 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.02 -17.34 51.68 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -178.465 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 403' ' ' LYS . . . . . 0.598 ' HG2' HG21 ' A' ' 386' ' ' ILE . 13.2 mptt -74.16 -19.3 60.6 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.979 0.419 . . . . 0.0 110.222 176.769 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 404' ' ' GLY . . . . . 0.505 ' O ' HD12 ' A' ' 416' ' ' LEU . . . 116.28 37.22 1.03 Allowed Glycine 0 N--CA 1.447 -0.604 0 N-CA-C 111.27 -0.732 . . . . 0.0 111.27 -178.912 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 405' ' ' CYS . . . . . 0.672 ' HB2' ' HA ' ' A' ' 401' ' ' LYS . 82.4 m -103.06 133.79 47.58 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-O 121.171 0.51 . . . . 0.0 110.912 -170.687 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 13.1 p -130.55 134.07 62.7 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.607 177.546 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 407' ' ' PHE . . . . . 0.41 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 28.0 t80 -81.8 120.33 25.02 Favored 'General case' 0 N--CA 1.433 -1.288 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 175.794 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 408' ' ' ASN . . . . . 0.453 HD21 ' HG2' ' A' ' 410' ' ' GLU . 3.2 t-20 -103.11 114.68 29.18 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.578 -177.311 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 15.6 p -63.59 -27.62 69.37 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.161 0.505 . . . . 0.0 111.383 -178.944 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 410' ' ' GLU . . . . . 0.453 ' HG2' HD21 ' A' ' 408' ' ' ASN . 3.4 mm-40 -76.69 -37.74 55.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.161 -177.133 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 41.2 t -88.44 -19.67 26.21 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.184 178.569 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 68.09 23.65 7.99 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.337 178.799 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 43.1 mttp -139.16 165.8 26.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.373 -179.115 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 414' ' ' CYS . . . . . 0.602 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 40.8 t -91.37 120.85 32.58 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 168.564 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -135.1 167.25 21.32 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.755 0.312 . . . . 0.0 110.752 -178.973 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.505 HD12 ' O ' ' A' ' 404' ' ' GLY . 44.9 tp . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.735 176.748 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 418' ' ' LYS . . . . . 0.636 ' HA ' ' HE2' ' A' ' 418' ' ' LYS . 11.8 mmpt? . . . . . 0 C--O 1.233 0.205 0 CA-C-O 121.479 0.657 . . . . 0.0 110.588 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -58.13 -51.15 70.9 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.354 -1.294 . . . . 0.0 111.596 179.886 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 92.7 t -66.05 -54.77 23.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.216 -176.223 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 421' ' ' LYS . . . . . 0.587 ' HE2' ' HB2' ' A' ' 380' ' ' ALA . 5.7 tmtm? -52.86 -44.07 66.54 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.178 0.513 . . . . 0.0 111.878 -175.36 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -74.57 -49.14 22.95 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.52 -175.375 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -84.25 -6.29 59.37 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -172.452 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 64.7 tp -92.49 -49.32 6.19 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 175.009 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 . . . . . 0 C--N 1.328 -0.342 0 CA-C-O 121.066 0.46 . . . . 0.0 111.57 -177.592 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 379' ' ' SER . . . . . 0.682 ' HB2' HD13 ' A' ' 424' ' ' LEU . 14.4 p . . . . . 0 N--CA 1.45 -0.467 0 CA-C-O 120.786 0.327 . . . . 0.0 111.604 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -65.77 -38.5 89.23 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.167 -0.469 . . . . 0.0 112.171 -174.884 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -74.83 -52.96 10.03 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.879 0.371 . . . . 0.0 110.994 -170.98 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 382' ' ' ASN . . . . . 0.454 ' O ' HG13 ' A' ' 386' ' ' ILE . 0.0 OUTLIER -70.15 -29.22 66.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.931 -176.263 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 383' ' ' LYS . . . . . 0.599 ' HB2' ' O ' ' A' ' 379' ' ' SER . 12.0 tptt -63.97 -49.46 72.42 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 178.391 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -57.38 -39.36 75.9 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.259 175.463 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 3.5 tmtp? -57.98 -43.31 86.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.474 179.654 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 386' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 382' ' ' ASN . 76.2 mt -64.16 -41.74 93.38 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-O 121.319 0.58 . . . . 0.0 109.705 -179.063 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 387' ' ' CYS . . . . . 0.413 ' O ' ' HB3' ' A' ' 414' ' ' CYS . 34.5 m -67.41 -41.97 84.04 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.69 178.279 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -66.22 -30.43 70.88 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.804 0.335 . . . . 0.0 110.146 179.561 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -71.34 -4.98 29.06 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.877 178.475 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 390' ' ' ALA . . . . . 0.408 ' HB2' HD21 ' A' ' 400' ' ' LEU . . . -93.43 -14.12 27.15 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 176.482 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt 61.85 -149.65 0.39 Allowed 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.417 175.79 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 392' ' ' ASP . . . . . 0.42 ' HB3' ' HD3' ' A' ' 413' ' ' LYS . 3.7 p-10 -89.81 7.2 38.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.767 178.412 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -80.43 101.75 9.22 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.736 175.98 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 394' ' ' GLN . . . . . 0.561 ' O ' ' HG2' ' A' ' 398' ' ' GLU . 34.2 tt0 -63.64 -35.68 81.33 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.949 -177.442 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -60.63 -45.4 94.19 Favored 'General case' 0 C--O 1.233 0.204 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 -177.463 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 396' ' ' ALA . . . . . 0.607 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -60.82 -44.74 96.5 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.403 176.775 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 31.6 t -61.52 -50.4 72.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.813 179.819 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 398' ' ' GLU . . . . . 0.561 ' HG2' ' O ' ' A' ' 394' ' ' GLN . 70.0 mm-40 -53.54 -40.37 65.47 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.159 0.504 . . . . 0.0 110.908 178.476 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -74.21 -24.59 59.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.734 -0.666 . . . . 0.0 112.27 -174.153 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.607 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 2.7 pp -112.12 11.58 20.41 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 121.866 -0.521 . . . . 0.0 111.293 176.355 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 23.5 ttpp -61.77 -25.71 67.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.181 -178.025 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 402' ' ' GLU . . . . . 0.526 ' OE1' ' HG3' ' A' ' 403' ' ' LYS . 0.5 OUTLIER -65.93 -5.22 8.66 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -179.909 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 403' ' ' LYS . . . . . 0.526 ' HG3' ' OE1' ' A' ' 402' ' ' GLU . 53.6 mttp -97.43 -1.24 44.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.638 -0.255 . . . . 0.0 111.382 174.121 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 106.83 23.04 7.31 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.991 176.768 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 405' ' ' CYS . . . . . 0.514 ' HB3' ' SG ' ' A' ' 414' ' ' CYS . 74.9 m -109.07 110.22 21.43 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.857 0.36 . . . . 0.0 110.722 -179.575 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 58.2 t -111.06 129.88 65.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.787 -179.465 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 407' ' ' PHE . . . . . 0.467 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 47.2 t80 -64.36 130.62 44.5 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-O 121.201 0.524 . . . . 0.0 110.633 -178.448 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -109.03 108.42 19.13 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.971 -178.586 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 1.1 p -68.61 -22.3 64.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.457 -178.433 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -56.91 -49.49 75.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.602 178.153 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 20.7 t -99.41 -8.75 24.33 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.02 0.438 . . . . 0.0 110.039 178.796 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 4.7 t30 61.62 41.81 11.81 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.687 -176.917 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 413' ' ' LYS . . . . . 0.42 ' HD3' ' HB3' ' A' ' 392' ' ' ASP . 72.9 mmtt -142.12 159.62 41.87 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.27 179.364 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 414' ' ' CYS . . . . . 0.514 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 48.3 t -78.04 127.59 32.56 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 176.344 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -124.63 151.54 44.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.04 -171.842 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.497 HD22 ' HB3' ' A' ' 383' ' ' LYS . 50.9 tp . . . . . 0 C--N 1.328 -0.358 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 176.045 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 418' ' ' LYS . . . . . 0.569 ' HA ' ' HB3' ' A' ' 421' ' ' LYS . 54.8 mtmt . . . . . 0 N--CA 1.454 -0.244 0 CA-C-O 120.88 0.372 . . . . 0.0 111.272 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -68.83 -48.04 64.53 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.84 172.215 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 420' ' ' VAL . . . . . 0.538 HG12 HD23 ' A' ' 424' ' ' LEU . 64.0 t -66.79 -41.25 87.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.758 176.479 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 421' ' ' LYS . . . . . 0.569 ' HB3' ' HA ' ' A' ' 418' ' ' LYS . 19.2 ttmm -53.0 -47.77 68.02 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.748 175.655 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -54.05 -48.94 70.05 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.68 178.383 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -64.12 -46.01 86.06 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.137 -178.841 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 424' ' ' LEU . . . . . 0.682 HD13 ' HB2' ' A' ' 379' ' ' SER . 4.1 pp -74.81 -28.29 60.65 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -175.5 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 425' ' ' GLU . . . . . 0.513 ' N ' HD12 ' A' ' 424' ' ' LEU . 30.3 mt-10 . . . . . 0 C--N 1.329 -0.306 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.588 178.181 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 379' ' ' SER . . . . . 0.507 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 24.6 m . . . . . 0 N--CA 1.455 -0.199 0 CA-C-O 120.687 0.279 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -67.41 -43.75 80.51 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.046 178.565 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -58.78 -55.17 38.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.668 -0.697 . . . . 0.0 112.28 -176.698 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 382' ' ' ASN . . . . . 0.538 ' O ' HG13 ' A' ' 386' ' ' ILE . 2.3 p30 -72.2 -34.22 68.21 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 121.076 -0.249 . . . . 0.0 111.033 -174.5 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 383' ' ' LYS . . . . . 0.667 ' HB3' HD21 ' A' ' 416' ' ' LEU . 11.1 mptt -71.5 -43.05 67.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.794 0.33 . . . . 0.0 110.409 179.723 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 384' ' ' GLU . . . . . 0.469 ' HG3' HD12 ' A' ' 416' ' ' LEU . 17.0 mt-10 -59.04 -37.25 76.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.447 174.769 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 53.4 tptt -67.06 -30.87 71.05 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.621 177.939 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 386' ' ' ILE . . . . . 0.538 HG13 ' O ' ' A' ' 382' ' ' ASN . 91.4 mt -71.35 -44.41 72.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 177.65 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 21.3 m -65.54 -38.17 88.86 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.038 175.953 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.77 -19.25 62.73 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.175 179.566 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -70.4 -20.46 62.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.664 174.589 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 390' ' ' ALA . . . . . 0.462 ' HB2' HD21 ' A' ' 400' ' ' LEU . . . -81.0 -24.4 37.99 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 178.002 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? 60.82 -137.87 0.59 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.013 -0.994 . . . . 0.0 111.285 173.081 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -87.02 5.91 35.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.458 -177.592 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 55.2 t-20 -87.63 107.68 18.72 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 177.83 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -65.85 -38.67 89.49 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.461 -178.24 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 395' ' ' LYS . . . . . 0.564 ' O ' ' HG2' ' A' ' 398' ' ' GLU . 36.1 mtmm -61.37 -48.74 79.9 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.515 179.245 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 396' ' ' ALA . . . . . 0.532 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -60.79 -34.48 74.57 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.05 0.452 . . . . 0.0 110.515 179.8 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 52.5 t -66.21 -49.93 65.6 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.806 177.612 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 398' ' ' GLU . . . . . 0.564 ' HG2' ' O ' ' A' ' 395' ' ' LYS . 8.8 pt-20 -62.27 -27.75 69.24 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.051 -177.991 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 26.8 m-80 -62.58 -59.18 5.29 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.446 174.284 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 1.8 pp -84.3 11.29 8.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.035 0.445 . . . . 0.0 111.609 -178.262 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . 0.472 ' HB2' ' HA ' ' A' ' 398' ' ' GLU . 46.3 tttm -62.39 -17.57 59.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.841 177.758 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -57.42 -30.05 64.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.678 175.199 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -84.54 -2.2 56.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.937 -178.14 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 95.66 38.4 4.71 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.345 -179.806 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 405' ' ' CYS . . . . . 0.569 ' HB3' ' SG ' ' A' ' 414' ' ' CYS . 79.2 m -108.46 118.48 36.9 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 179.171 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 406' ' ' VAL . . . . . 0.513 HG11 HG21 ' A' ' 420' ' ' VAL . 8.6 p -112.98 137.03 47.4 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 -178.971 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 407' ' ' PHE . . . . . 0.477 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 30.4 t80 -85.59 126.05 33.59 Favored 'General case' 0 N--CA 1.439 -0.998 0 CA-C-O 121.262 0.553 . . . . 0.0 110.222 -179.596 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -109.62 113.18 25.73 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.546 176.554 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 2.5 p -70.92 -19.55 62.58 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.85 177.101 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -56.22 -62.93 1.38 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.669 179.612 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 9.5 t -89.49 -4.97 57.71 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.601 0.715 . . . . 0.0 109.393 175.787 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 59.89 67.71 0.85 Allowed 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 114.602 -1.181 . . . . 0.0 111.698 178.649 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 15.8 pttp -170.02 175.02 5.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.223 171.434 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 414' ' ' CYS . . . . . 0.569 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 49.8 t -100.47 126.4 46.88 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 176.366 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -133.93 176.8 8.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.903 0.382 . . . . 0.0 110.98 -178.977 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.667 HD21 ' HB3' ' A' ' 383' ' ' LYS . 8.2 mt . . . . . 0 C--N 1.325 -0.467 0 CA-C-O 121.112 0.482 . . . . 0.0 111.375 -179.964 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt . . . . . 0 CA--C 1.519 -0.227 0 CA-C-O 121.208 0.528 . . . . 0.0 111.79 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -76.57 -39.95 51.14 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.162 -0.926 . . . . 0.0 111.029 -173.609 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 420' ' ' VAL . . . . . 0.513 HG21 HG11 ' A' ' 406' ' ' VAL . 58.5 t -66.76 -43.61 89.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.858 -178.259 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 18.2 ttmm -69.64 -39.39 77.14 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.637 178.237 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -60.13 -47.32 86.39 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 176.427 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 423' ' ' LYS . . . . . 0.408 ' HE2' ' HB2' ' A' ' 423' ' ' LYS . 13.6 tppt? -60.88 -41.36 95.82 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.498 179.235 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -69.11 -60.53 2.29 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.107 -175.801 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 . . . . . 0 C--N 1.329 -0.299 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -172.972 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.601 0.239 . . . . 0.0 110.578 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -60.82 -40.76 93.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.853 0.359 . . . . 0.0 110.563 178.677 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -56.05 -56.49 20.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.782 -179.277 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 382' ' ' ASN . . . . . 0.41 ' O ' HG13 ' A' ' 386' ' ' ILE . 2.2 p30 -72.98 -34.11 66.24 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 121.0 -0.28 . . . . 0.0 110.695 -174.868 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 383' ' ' LYS . . . . . 0.586 ' HB3' HD22 ' A' ' 416' ' ' LEU . 3.0 mptp? -54.45 -57.47 11.2 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 173.696 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -56.72 -44.65 81.8 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.563 178.915 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 25.5 tptp -63.51 -38.9 92.92 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.432 0.16 . . . . 0.0 111.432 -177.254 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 386' ' ' ILE . . . . . 0.41 HG13 ' O ' ' A' ' 382' ' ' ASN . 85.3 mt -67.79 -44.55 85.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.317 0.58 . . . . 0.0 109.715 178.256 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 387' ' ' CYS . . . . . 0.425 ' O ' ' HB3' ' A' ' 414' ' ' CYS . 62.0 m -63.16 -45.82 90.06 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.841 178.188 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -76.91 -15.28 59.73 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.669 -174.565 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -65.49 -25.56 67.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.716 175.353 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -79.91 -21.7 43.61 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -179.458 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 32.7 mtmm 57.45 -116.69 0.96 Allowed 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.486 175.87 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -94.08 -3.34 51.35 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.481 0.182 . . . . 0.0 111.368 -175.915 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -84.68 106.94 16.61 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.075 0.464 . . . . 0.0 110.374 -176.316 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -69.98 -39.12 76.15 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.878 -179.215 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -52.47 -55.76 19.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.579 179.832 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 396' ' ' ALA . . . . . 0.463 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -65.71 -33.6 76.25 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.497 -177.621 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 51.8 t -59.42 -50.24 74.7 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.421 0.629 . . . . 0.0 110.375 176.65 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 398' ' ' GLU . . . . . 0.635 ' HA ' ' HB2' ' A' ' 401' ' ' LYS . 20.7 mt-10 -77.72 -4.27 45.4 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.625 -177.189 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 -75.67 -41.43 53.96 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 167.398 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 1.4 pp -103.71 18.89 20.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.263 0.554 . . . . 0.0 110.814 178.358 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 401' ' ' LYS . . . . . 0.635 ' HB2' ' HA ' ' A' ' 398' ' ' GLU . 18.3 tptm -45.63 -32.52 2.4 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 114.933 -1.031 . . . . 0.0 111.36 175.233 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -48.49 -44.37 35.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.091 -0.959 . . . . 0.0 112.77 178.947 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -84.65 25.15 0.93 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -167.278 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 89.97 -1.7 80.85 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 121.01 -0.614 . . . . 0.0 111.766 177.516 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 405' ' ' CYS . . . . . 0.569 ' O ' ' HD2' ' A' ' 401' ' ' LYS . 76.2 m -79.19 115.36 18.8 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.165 -0.517 . . . . 0.0 110.855 -178.151 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 12.5 p -127.31 139.42 51.96 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 176.238 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 407' ' ' PHE . . . . . 0.465 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 21.1 t80 -70.21 122.19 19.01 Favored 'General case' 0 N--CA 1.441 -0.923 0 CA-C-O 121.112 0.482 . . . . 0.0 109.767 -179.836 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 25.0 t30 -98.86 101.66 13.13 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 -178.72 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 4.2 p -68.06 -25.87 65.57 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.876 -175.729 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -63.24 -29.37 70.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.321 -178.782 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 6.5 t -121.49 2.31 10.18 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.163 0.506 . . . . 0.0 110.195 178.202 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 4.0 t30 51.59 67.8 0.9 Allowed 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.928 -179.224 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -170.35 153.36 4.36 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.483 175.014 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 414' ' ' CYS . . . . . 0.511 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 37.1 t -73.01 129.12 37.39 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 176.441 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 46.4 tt0 -147.53 154.79 41.17 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.841 0.353 . . . . 0.0 110.892 -173.138 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.586 HD22 ' HB3' ' A' ' 383' ' ' LYS . 44.7 tp . . . . . 0 C--N 1.326 -0.44 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 173.164 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 8.6 tmtm? . . . . . 0 CA--C 1.52 -0.21 0 CA-C-O 121.142 0.496 . . . . 0.0 111.247 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 419' ' ' ASP . . . . . 0.447 ' O ' ' HG2' ' A' ' 423' ' ' LYS . 7.1 m-20 -75.8 -42.66 49.36 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.936 -176.396 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 39.6 t -62.64 -46.75 95.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.994 -177.457 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -63.69 -39.86 95.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.155 0.502 . . . . 0.0 110.347 178.367 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -63.35 -41.69 98.86 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.764 -178.865 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 423' ' ' LYS . . . . . 0.447 ' HG2' ' O ' ' A' ' 419' ' ' ASP . 34.6 mmtp -77.98 -13.29 59.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.693 179.105 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 55.9 tp -86.52 -45.45 11.08 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.609 179.124 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.662 -179.974 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.714 0 N-CA-C 112.279 -0.328 . . . . 0.0 112.279 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 30.8 t -94.51 119.28 32.96 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.755 0.312 . . . . 0.0 110.268 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 373' ' ' LYS . . . . . 0.724 ' H ' ' HD3' ' A' ' 373' ' ' LYS . 0.0 OUTLIER -96.1 147.22 23.96 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 176.751 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 374' ' ' LYS . . . . . . . . . . . . . 6.6 ptpp? -111.15 86.51 2.34 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.423 0.63 . . . . 0.0 110.981 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 375' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -97.2 -18.66 19.12 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 175.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -169.2 -65.55 0.02 OUTLIER 'General case' 0 C--O 1.236 0.354 0 CA-C-N 114.784 -1.098 . . . . 0.0 109.08 178.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 377' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 55.51 -151.32 0.4 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.634 -1.166 . . . . 0.0 110.39 178.29 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 378' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -76.44 -44.93 33.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.919 0.39 . . . . 0.0 111.283 -172.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 379' ' ' SER . . . . . 0.416 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 16.0 m -55.37 -51.36 67.05 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.426 -177.437 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -75.85 -31.09 59.17 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.689 -0.404 . . . . 0.0 111.455 -177.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -59.01 -61.33 2.72 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-O 120.747 0.308 . . . . 0.0 110.919 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 382' ' ' ASN . . . . . 0.473 ' O ' HG13 ' A' ' 386' ' ' ILE . 2.9 p30 -64.46 -33.13 75.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.573 -176.3 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 383' ' ' LYS . . . . . 0.721 ' HA ' ' HE3' ' A' ' 383' ' ' LYS . 0.0 OUTLIER -63.25 -53.58 50.75 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 121.417 0.627 . . . . 0.0 109.442 178.402 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -59.6 -40.83 88.76 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.798 -1.092 . . . . 0.0 110.9 178.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -62.76 -39.93 95.69 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.704 -178.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 386' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 382' ' ' ASN . 89.8 mt -64.81 -40.68 89.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.249 0.547 . . . . 0.0 109.849 179.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 32.9 m -66.14 -44.78 83.22 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.551 176.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.7 -17.96 62.19 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.019 -177.407 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -68.34 -18.33 64.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.914 0.388 . . . . 0.0 110.707 176.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -92.28 -11.43 35.25 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 177.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? 56.98 -96.76 0.07 Allowed 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 114.615 -1.175 . . . . 0.0 111.804 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -131.67 18.32 4.73 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.935 0.398 . . . . 0.0 111.011 -175.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -81.11 110.0 16.2 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 173.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 394' ' ' GLN . . . . . 0.482 ' O ' ' HG2' ' A' ' 398' ' ' GLU . 64.9 tt0 -65.63 -48.72 71.26 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.316 -175.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -59.94 -42.0 93.05 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.678 0.275 . . . . 0.0 110.887 -176.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 396' ' ' ALA . . . . . 0.572 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -60.45 -39.73 88.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.121 0.486 . . . . 0.0 110.509 177.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 12.9 t -69.88 -38.2 76.29 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.377 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 398' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' A' ' 394' ' ' GLN . 10.9 mm-40 -57.96 -35.31 70.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.407 175.094 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -73.95 -31.46 63.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.623 176.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 78.7 mt -87.56 0.46 55.57 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.966 -179.523 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . 0.537 ' HA ' ' O ' ' A' ' 405' ' ' CYS . 4.1 tmtp? -56.97 -33.4 67.02 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.242 -178.28 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -66.05 -23.43 66.54 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.225 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 49.4 mttm -94.3 4.43 53.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.815 -174.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 99.84 11.55 43.12 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.756 177.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 405' ' ' CYS . . . . . 0.537 ' O ' ' HA ' ' A' ' 401' ' ' LYS . 90.8 m -94.68 130.68 41.08 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.993 0.425 . . . . 0.0 111.211 -179.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 9.5 p -129.93 130.8 66.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.133 178.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 407' ' ' PHE . . . . . 0.403 ' CD1' ' HA ' ' A' ' 394' ' ' GLN . 25.5 t80 -70.0 125.78 27.75 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-O 121.082 0.467 . . . . 0.0 109.842 177.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -106.35 108.64 20.26 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.501 -178.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 34.5 p -69.57 -25.73 64.13 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.607 -176.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -59.07 -49.87 76.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.63 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 13.2 m -95.26 -12.69 25.79 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.12 -178.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 60.28 68.56 0.76 Allowed 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.583 0.706 . . . . 0.0 110.574 -176.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -170.44 165.61 8.59 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.913 175.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 414' ' ' CYS . . . . . 0.501 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 42.2 t -83.82 116.02 22.53 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 174.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -120.42 158.33 27.43 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.122 -171.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.643 HD13 ' HB3' ' A' ' 383' ' ' LYS . 50.7 tp -70.27 132.1 45.2 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 178.119 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 417' ' ' LYS . . . . . 0.625 ' HD3' HG23 ' A' ' 420' ' ' VAL . 34.1 tttm -74.03 92.66 2.16 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 176.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -62.11 -24.29 67.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.561 0.696 . . . . 0.0 109.839 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 419' ' ' ASP . . . . . 0.508 ' HB3' ' HG2' ' A' ' 417' ' ' LYS . 16.2 t70 -55.31 -59.69 4.44 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.313 -1.312 . . . . 0.0 110.296 174.377 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 420' ' ' VAL . . . . . 0.625 HG23 ' HD3' ' A' ' 417' ' ' LYS . 98.2 t -69.0 -36.72 75.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.672 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . 0.637 ' HA ' ' HE2' ' A' ' 421' ' ' LYS . 0.6 OUTLIER -56.16 -42.49 77.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.809 0.338 . . . . 0.0 111.344 -179.548 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 422' ' ' GLU . . . . . 0.519 ' HG2' ' HE3' ' A' ' 426' ' ' LYS . 35.1 tt0 -77.44 -44.01 30.49 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.557 179.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 40.2 mtpt -64.6 -30.51 71.53 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.679 -178.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 63.4 tp -78.62 -34.26 46.75 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.093 0.473 . . . . 0.0 110.138 175.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -64.69 -43.5 93.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.441 -179.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 426' ' ' LYS . . . . . 0.519 ' HE3' ' HG2' ' A' ' 422' ' ' GLU . 17.0 ptpt -76.49 -9.73 58.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.734 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -84.72 -18.36 35.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.707 0.765 . . . . 0.0 109.209 173.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 19.9 m -91.5 25.38 2.65 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.213 -174.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.86 7.42 24.08 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 122.275 -0.266 . . . . 0.0 111.257 179.288 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 61.49 -89.05 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.567 0.747 . . . . 0.0 110.834 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 431' ' ' THR . . . . . 0.421 ' O ' ' HB3' ' A' ' 432' ' ' GLU . 16.7 p -111.68 -63.62 1.39 Allowed 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 175.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 432' ' ' GLU . . . . . 0.421 ' HB3' ' O ' ' A' ' 431' ' ' THR . 15.9 pt-20 172.13 -24.27 0.0 OUTLIER 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 114.71 -1.132 . . . . 0.0 109.479 174.241 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -84.66 62.15 4.6 Favored Glycine 0 C--N 1.316 -0.552 0 CA-C-N 114.886 -1.052 . . . . 0.0 113.352 -175.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -83.4 107.79 16.14 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 172.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 435' ' ' ASP . . . . . 0.58 ' HB3' ' HB2' ' A' ' 439' ' ' ASN . 0.4 OUTLIER -79.53 111.96 16.32 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 177.747 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -96.68 -36.72 10.59 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 27.4 tttp -122.26 -41.56 2.41 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.417 174.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -158.06 136.24 10.86 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.203 178.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 439' ' ' ASN . . . . . 0.58 ' HB2' ' HB3' ' A' ' 435' ' ' ASP . 25.7 t-20 -79.57 -49.74 11.74 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.133 0.492 . . . . 0.0 110.077 176.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 9.8 t -164.79 138.59 5.0 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.259 179.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 15.2 t -76.99 -27.67 54.8 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 177.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . 58.49 -124.42 36.4 Favored Glycine 0 C--N 1.335 0.473 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.484 179.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 18.6 m . . . . . 0 C--O 1.251 1.138 0 CA-C-O 118.527 -0.749 . . . . 0.0 109.722 177.004 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.706 0 N-CA-C 112.638 -0.185 . . . . 0.0 112.638 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 14.4 m -83.56 6.09 21.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.652 0.263 . . . . 0.0 111.379 -176.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -76.04 -23.95 55.16 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 177.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 374' ' ' LYS . . . . . 0.432 ' HB3' ' NZ ' ' A' ' 374' ' ' LYS . 5.4 ttpm? 74.17 118.29 0.05 Allowed 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.278 -0.873 . . . . 0.0 111.317 177.448 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 375' ' ' GLN . . . . . 0.436 ' HA ' ' OE1' ' A' ' 375' ' ' GLN . 6.5 tp60 -151.83 -42.7 0.11 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.307 174.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 376' ' ' GLN . . . . . 0.4 ' O ' ' HB ' ' A' ' 377' ' ' THR . 34.2 mt-30 60.12 -90.85 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.245 -172.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 377' ' ' THR . . . . . 0.4 ' HB ' ' O ' ' A' ' 376' ' ' GLN . 14.5 t 176.49 173.62 0.39 Allowed 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 177.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 378' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -54.97 -60.76 2.93 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 123.443 0.464 . . . . 0.0 111.496 -176.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 379' ' ' SER . . . . . 0.566 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 13.0 p -60.01 -41.48 92.22 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.035 -0.529 . . . . 0.0 112.181 -175.058 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -62.02 -48.78 78.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.619 0.247 . . . . 0.0 111.553 -176.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -64.44 -54.6 30.05 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -174.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 382' ' ' ASN . . . . . 0.478 ' O ' HG13 ' A' ' 386' ' ' ILE . 2.4 p30 -72.99 -35.47 66.87 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.543 -173.253 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 383' ' ' LYS . . . . . 0.723 ' HB3' HD13 ' A' ' 416' ' ' LEU . 13.0 mptt -69.44 -45.72 68.45 Favored 'General case' 0 CA--C 1.515 -0.389 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.593 -179.238 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -55.42 -41.32 72.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.867 0.365 . . . . 0.0 110.261 176.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -63.07 -41.3 99.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.653 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 386' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 382' ' ' ASN . 85.9 mt -67.37 -47.3 81.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.224 0.535 . . . . 0.0 109.843 179.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 57.9 m -61.99 -41.32 97.91 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.854 178.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -74.71 -21.14 59.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.979 -177.447 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -70.9 -19.45 62.6 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.877 0.37 . . . . 0.0 110.889 175.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -86.08 -13.89 45.94 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 176.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp 54.87 -115.3 0.94 Allowed 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 114.361 -1.291 . . . . 0.0 112.394 177.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 392' ' ' ASP . . . . . 0.594 ' HA ' ' HA ' ' A' ' 413' ' ' LYS . 3.9 m-20 -115.3 16.48 16.8 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.987 -171.178 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 52.6 t-20 -87.66 111.95 21.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.88 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 394' ' ' GLN . . . . . 0.519 ' HA ' ' CD1' ' A' ' 407' ' ' PHE . 64.3 tt0 -61.17 -50.59 72.53 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.235 -179.189 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . 0.445 ' HA ' ' HD3' ' A' ' 395' ' ' LYS . 66.6 mmtt -65.68 -40.29 92.22 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.7 -174.34 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 396' ' ' ALA . . . . . 0.533 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -60.68 -38.7 85.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.081 0.467 . . . . 0.0 110.189 176.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 32.4 t -69.14 -45.31 70.42 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.479 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 398' ' ' GLU . . . . . 0.425 ' HG3' ' O ' ' A' ' 394' ' ' GLN . 42.5 mt-10 -57.79 -31.28 66.4 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.07 178.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -67.81 -56.96 7.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.872 178.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 1.6 pp -85.4 11.8 9.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.024 0.44 . . . . 0.0 111.605 -177.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . 0.416 ' HG2' ' O ' ' A' ' 405' ' ' CYS . 1.7 tmtp? -57.09 -30.3 64.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.131 176.088 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -63.13 -26.89 69.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.354 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -77.28 -63.49 1.36 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.782 -176.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 179.64 25.81 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.148 -1.025 . . . . 0.0 112.555 177.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 405' ' ' CYS . . . . . 0.523 ' HB3' ' SG ' ' A' ' 414' ' ' CYS . 79.6 m -118.14 149.58 40.81 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.783 -176.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 10.3 p -142.08 137.9 30.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 176.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 407' ' ' PHE . . . . . 0.519 ' CD1' ' HA ' ' A' ' 394' ' ' GLN . 23.6 t80 -75.62 124.79 27.83 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-O 121.343 0.592 . . . . 0.0 110.093 -179.443 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 28.8 t30 -102.88 109.74 21.41 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.69 -178.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 1.8 p -68.46 -18.37 64.4 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.837 -0.62 . . . . 0.0 112.127 -175.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -67.16 -55.06 15.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.21 0.528 . . . . 0.0 110.015 174.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 8.6 t -88.81 7.31 34.73 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.328 -176.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 45.7 33.05 1.34 Allowed 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.218 1.007 . . . . 0.0 112.626 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 413' ' ' LYS . . . . . 0.594 ' HA ' ' HA ' ' A' ' 392' ' ' ASP . 0.1 OUTLIER -149.03 176.58 10.33 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 121.077 -0.249 . . . . 0.0 110.616 -177.58 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 414' ' ' CYS . . . . . 0.523 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 49.9 t -94.81 125.71 39.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.289 -178.153 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -130.3 175.0 9.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.204 0.526 . . . . 0.0 111.402 -177.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.723 HD13 ' HB3' ' A' ' 383' ' ' LYS . 26.8 tp -76.01 129.31 36.67 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.922 -178.194 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.8 -15.98 62.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.284 -179.103 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . 0.47 ' H ' ' HG ' ' A' ' 416' ' ' LEU . 27.6 ttmt -72.76 -39.71 66.59 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 176.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -59.04 -45.28 91.15 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.78 -1.1 . . . . 0.0 109.649 175.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 420' ' ' VAL . . . . . 0.46 ' O ' ' HG ' ' A' ' 424' ' ' LEU . 61.8 t -64.82 -51.12 71.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 114.997 -1.001 . . . . 0.0 110.438 179.406 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 17.3 ttmt -62.6 -34.95 78.03 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.085 -177.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -61.03 -43.05 99.47 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.665 -178.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 31.7 mtmm -78.17 -18.75 55.15 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 120.847 0.356 . . . . 0.0 111.856 178.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 424' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 420' ' ' VAL . 87.2 mt -83.82 -44.5 14.28 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.839 0.352 . . . . 0.0 110.164 177.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -58.73 -57.48 12.81 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.34 176.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 426' ' ' LYS . . . . . 0.411 ' C ' ' H ' ' A' ' 428' ' ' SER . 22.7 ttmm 68.57 149.81 0.07 Allowed 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 115.161 -0.927 . . . . 0.0 112.389 174.111 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . 0.422 ' C ' ' H ' ' A' ' 429' ' ' LYS . 7.0 tp10 72.71 -23.02 0.21 Allowed 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 114.916 -1.038 . . . . 0.0 112.117 177.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 428' ' ' SER . . . . . 0.411 ' H ' ' C ' ' A' ' 426' ' ' LYS . 14.7 m -76.02 37.29 0.15 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.296 0.569 . . . . 0.0 110.463 176.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 429' ' ' LYS . . . . . 0.422 ' H ' ' C ' ' A' ' 427' ' ' GLU . 23.1 pttm -77.82 -17.42 57.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.485 -178.386 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 73.56 152.34 0.13 Allowed 'General case' 0 C--O 1.232 0.147 0 CA-C-O 121.707 0.765 . . . . 0.0 111.227 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 431' ' ' THR . . . . . . . . . . . . . 25.0 m -148.65 81.12 1.45 Allowed 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.137 177.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -100.88 -0.07 37.52 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.1 -174.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . 0.42 ' O ' ' HB3' ' A' ' 434' ' ' LYS . . . -120.81 93.27 0.52 Allowed Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.907 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 434' ' ' LYS . . . . . 0.42 ' HB3' ' O ' ' A' ' 433' ' ' GLY . 45.4 tptt 72.96 125.06 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.643 0.735 . . . . 0.0 111.459 179.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 435' ' ' ASP . . . . . 0.544 ' HB2' ' HB3' ' A' ' 439' ' ' ASN . 6.3 p-10 -69.22 152.4 45.12 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.502 178.118 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -86.38 84.69 7.39 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.409 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.75 77.55 0.32 Allowed 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.535 169.621 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . 54.98 60.9 3.2 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.953 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 439' ' ' ASN . . . . . 0.544 ' HB3' ' HB2' ' A' ' 435' ' ' ASP . 27.9 t-20 -69.47 -47.3 64.39 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.101 -179.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 15.1 t -155.66 142.27 18.75 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.959 0.409 . . . . 0.0 110.435 179.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 21.5 m -154.58 139.27 17.03 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.867 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . 136.74 15.4 0.84 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.447 -0.882 . . . . 0.0 113.012 177.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 48.6 m . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.567 -0.73 . . . . 0.0 110.363 178.517 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.574 0 N-CA-C 112.293 -0.323 . . . . 0.0 112.293 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 47.8 t -121.54 99.3 6.39 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.738 0.304 . . . . 0.0 110.397 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -111.04 78.52 1.12 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.365 0.602 . . . . 0.0 110.139 176.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 374' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -89.85 128.63 36.21 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.062 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 375' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -138.01 109.23 6.85 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.804 0.335 . . . . 0.0 110.508 -176.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 68.04 171.65 0.28 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.518 178.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 377' ' ' THR . . . . . . . . . . . . . 9.9 t -124.29 175.32 7.15 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.464 -174.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 378' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -48.28 -52.51 21.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 114.855 -1.066 . . . . 0.0 112.304 -177.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 379' ' ' SER . . . . . 0.63 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 12.3 m -55.27 -53.69 52.94 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.826 -175.467 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -67.85 -34.61 77.03 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.778 0.323 . . . . 0.0 111.307 -178.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -68.08 -53.13 27.76 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.344 -176.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 382' ' ' ASN . . . . . 0.533 ' O ' HG13 ' A' ' 386' ' ' ILE . 1.6 p30 -73.34 -30.25 63.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 -175.355 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 383' ' ' LYS . . . . . 0.63 ' HB2' ' O ' ' A' ' 379' ' ' SER . 11.8 tptt -67.08 -48.65 67.56 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 121.348 0.595 . . . . 0.0 109.686 -177.296 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 384' ' ' GLU . . . . . 0.431 ' HA ' ' HB2' ' A' ' 416' ' ' LEU . 8.8 tp10 -60.54 -39.4 87.77 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.915 -1.039 . . . . 0.0 110.348 178.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 2.0 tmtm? -62.7 -38.53 90.77 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.237 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 386' ' ' ILE . . . . . 0.533 HG13 ' O ' ' A' ' 382' ' ' ASN . 89.2 mt -61.75 -40.02 85.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.543 0.687 . . . . 0.0 109.898 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 32.8 m -71.62 -40.45 69.79 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.787 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.53 -17.47 63.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.446 -179.539 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -68.17 -19.62 64.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.884 0.373 . . . . 0.0 111.096 176.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 390' ' ' ALA . . . . . 0.415 ' HB2' HD21 ' A' ' 400' ' ' LEU . . . -87.32 -22.05 25.35 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.282 0.563 . . . . 0.0 109.745 177.297 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 90.7 mttt 61.29 -96.64 0.06 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 114.802 -1.09 . . . . 0.0 111.925 176.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 392' ' ' ASP . . . . . 0.449 ' HA ' ' HA ' ' A' ' 413' ' ' LYS . 9.1 p-10 -122.15 2.54 9.82 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.931 0.396 . . . . 0.0 110.755 -176.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -80.47 106.25 12.34 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.962 0.41 . . . . 0.0 110.09 -176.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -61.17 -42.05 97.88 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.181 -179.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 18.3 mtpp -61.96 -50.56 71.63 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 -178.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 396' ' ' ALA . . . . . 0.61 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -60.18 -37.48 80.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.623 -179.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . 0.424 ' HA ' HD11 ' A' ' 400' ' ' LEU . 42.5 t -62.82 -51.87 65.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.543 179.182 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -63.13 -18.23 63.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.249 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 399' ' ' ASN . . . . . 0.416 HD22 ' HA ' ' A' ' 396' ' ' ALA . 93.3 m-20 -75.69 -45.96 33.91 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-O 120.771 0.319 . . . . 0.0 110.744 175.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.61 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 1.4 pp -97.56 15.07 24.42 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.426 0.631 . . . . 0.0 110.805 -179.131 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 3.3 tmtp? -51.65 -25.73 7.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.621 -1.172 . . . . 0.0 112.014 178.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -62.06 -23.14 66.31 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.351 -0.84 . . . . 0.0 112.14 -174.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 403' ' ' LYS . . . . . 0.478 ' HD2' ' N ' ' A' ' 403' ' ' LYS . 11.1 mptt -88.58 -4.13 58.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.757 0.313 . . . . 0.0 111.708 -173.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 111.63 8.9 22.15 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.949 -0.643 . . . . 0.0 111.54 -179.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 54.3 m -87.09 126.83 35.02 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.219 -0.49 . . . . 0.0 110.837 -177.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 406' ' ' VAL . . . . . 0.47 HG21 ' HD3' ' A' ' 417' ' ' LYS . 28.3 m -124.01 146.11 30.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 176.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 407' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -83.63 128.42 34.51 Favored 'General case' 0 N--CA 1.435 -1.218 0 C-N-CA 120.305 -0.558 . . . . 0.0 109.763 177.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -104.12 103.86 13.71 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.295 -179.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 34.1 p -66.75 -27.09 67.32 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.935 -173.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -59.21 -56.72 18.5 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.119 0.485 . . . . 0.0 110.624 -179.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 23.2 t -88.23 -11.04 47.8 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.767 -177.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 59.52 73.04 0.5 Allowed 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.65 0.738 . . . . 0.0 110.058 -173.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 413' ' ' LYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 392' ' ' ASP . 22.0 ptmt -165.91 158.87 15.27 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.098 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 414' ' ' CYS . . . . . . . . . . . . . 46.3 t -99.52 127.05 45.58 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 171.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -139.91 160.48 39.82 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.626 HD22 ' HB3' ' A' ' 383' ' ' LYS . 34.9 tp -68.97 125.62 27.23 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 176.134 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 417' ' ' LYS . . . . . 0.638 ' HE2' ' HB3' ' A' ' 419' ' ' ASP . 18.9 tptm -71.24 84.03 0.76 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 176.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 24.9 mtmm -62.55 -24.8 67.71 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.663 -175.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 419' ' ' ASP . . . . . 0.638 ' HB3' ' HE2' ' A' ' 417' ' ' LYS . 2.7 t70 -59.71 -54.1 50.32 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.603 -1.181 . . . . 0.0 111.092 175.421 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 91.8 t -78.39 -31.93 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.231 -178.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . 0.77 ' HA ' ' HE2' ' A' ' 421' ' ' LYS . 0.6 OUTLIER -55.86 -46.31 78.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.941 176.176 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -61.81 -46.31 90.07 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.619 176.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 423' ' ' LYS . . . . . 0.61 ' HG3' ' O ' ' A' ' 419' ' ' ASP . 55.5 mttm -64.49 -21.65 66.74 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.037 0.446 . . . . 0.0 111.478 -178.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 41.6 tp -82.52 -36.52 26.29 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.586 -178.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 425' ' ' GLU . . . . . 0.437 ' OE2' ' HG3' ' A' ' 421' ' ' LYS . 8.5 pt-20 -101.82 16.79 24.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.984 0.421 . . . . 0.0 110.854 178.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 56.2 mttm 29.82 -84.61 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.846 1.658 . . . . 0.0 115.435 162.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -123.71 -87.42 0.63 Allowed 'General case' 0 CA--C 1.534 0.33 0 O-C-N 122.399 -0.188 . . . . 0.0 111.12 -172.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 14.3 p -77.59 -59.65 2.69 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 173.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 429' ' ' LYS . . . . . 0.497 ' HD3' ' HA ' ' A' ' 429' ' ' LYS . 65.5 mmtt -139.12 -111.63 0.16 Allowed 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 114.721 -1.127 . . . . 0.0 109.044 165.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -95.32 -2.97 48.19 Favored 'General case' 0 C--N 1.314 -0.936 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.598 -175.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 431' ' ' THR . . . . . 0.409 ' O ' HG22 ' A' ' 431' ' ' THR . 8.3 m 64.72 10.23 5.84 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.306 174.129 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 61.29 -173.78 0.13 Allowed 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.867 179.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -117.54 -75.51 0.53 Allowed Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.623 -0.798 . . . . 0.0 111.463 176.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? -166.2 -177.73 4.26 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 177.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 435' ' ' ASP . . . . . 0.422 ' CG ' ' H ' ' A' ' 436' ' ' GLU . 23.2 p-10 -65.66 -63.98 0.97 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.464 178.703 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 436' ' ' GLU . . . . . 0.534 ' HA ' ' OE2' ' A' ' 436' ' ' GLU . 0.4 OUTLIER 54.52 -93.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 123.916 0.886 . . . . 0.0 111.561 179.799 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -98.24 -65.39 0.96 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.054 0.454 . . . . 0.0 110.171 177.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -105.91 119.69 39.84 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.775 -178.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -84.96 139.32 31.9 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 178.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 6.9 p -72.41 100.91 2.79 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.231 0.538 . . . . 0.0 111.721 -174.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 21.8 m -75.71 -50.96 13.83 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.141 177.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . -177.31 135.83 2.9 Favored Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.064 179.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 71.1 m . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.154 -0.927 . . . . 0.0 110.084 178.283 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.634 0 N-CA-C 112.196 -0.361 . . . . 0.0 112.196 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 4.9 m -111.97 -4.07 14.63 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.739 0.304 . . . . 0.0 110.371 -178.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 373' ' ' LYS . . . . . 0.46 ' HE2' ' HB3' ' A' ' 373' ' ' LYS . 43.6 mtpt 62.17 18.89 10.48 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.35 -175.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 374' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -169.98 128.62 0.91 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.022 -178.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 375' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -66.38 105.72 1.53 Allowed 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 177.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -67.84 122.14 17.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.43 -179.008 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 377' ' ' THR . . . . . 0.439 HG22 ' H ' ' A' ' 380' ' ' ALA . 18.2 m 68.15 75.87 0.27 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.864 0.84 . . . . 0.0 109.931 -174.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 378' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -60.43 -30.94 69.95 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.757 -1.111 . . . . 0.0 111.007 -177.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 1.5 m -57.17 -53.21 60.67 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 121.228 0.537 . . . . 0.0 110.78 178.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 380' ' ' ALA . . . . . 0.439 ' H ' HG22 ' A' ' 377' ' ' THR . . . -63.64 -39.61 94.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.011 0.434 . . . . 0.0 110.511 179.442 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -63.97 -55.45 22.33 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.815 -177.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 382' ' ' ASN . . . . . 0.603 ' O ' HG13 ' A' ' 386' ' ' ILE . 0.1 OUTLIER -72.04 -13.42 61.6 Favored 'General case' 0 C--O 1.224 -0.285 0 C-N-CA 120.382 -0.527 . . . . 0.0 112.153 -173.229 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 383' ' ' LYS . . . . . 0.458 ' HB3' HD22 ' A' ' 416' ' ' LEU . 3.1 mptp? -70.76 -49.48 46.3 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 171.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -63.75 -35.0 79.14 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.873 -1.058 . . . . 0.0 109.345 177.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 42.1 tptt -61.99 -41.63 98.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.085 -0.961 . . . . 0.0 111.332 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 386' ' ' ILE . . . . . 0.603 HG13 ' O ' ' A' ' 382' ' ' ASN . 85.2 mt -63.76 -39.63 86.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 121.384 0.611 . . . . 0.0 109.613 -179.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 387' ' ' CYS . . . . . 0.549 ' O ' ' HB3' ' A' ' 414' ' ' CYS . 58.9 m -63.9 -45.51 89.04 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.622 175.288 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.58 -23.8 66.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 -178.152 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -75.78 -27.66 58.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.575 177.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -83.44 -31.92 26.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.878 0.371 . . . . 0.0 110.645 -177.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt 63.63 -95.84 0.05 OUTLIER 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.467 -0.788 . . . . 0.0 112.286 172.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -118.09 -0.82 11.52 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 120.441 0.163 . . . . 0.0 111.225 -174.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -77.62 93.26 4.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.089 0.471 . . . . 0.0 110.066 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 394' ' ' GLN . . . . . 0.477 ' O ' ' HG2' ' A' ' 398' ' ' GLU . 44.9 tt0 -64.35 -37.42 87.43 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.87 -173.056 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -56.61 -43.5 80.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.606 0.241 . . . . 0.0 111.097 179.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 396' ' ' ALA . . . . . 0.732 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -61.63 -44.8 96.31 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 177.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . 0.576 ' HA ' HD11 ' A' ' 400' ' ' LEU . 85.4 m -61.69 -39.36 91.16 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.939 -1.028 . . . . 0.0 111.622 -179.378 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 398' ' ' GLU . . . . . 0.477 ' HG2' ' O ' ' A' ' 394' ' ' GLN . 27.9 mm-40 -59.04 -36.74 75.51 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.0 0.429 . . . . 0.0 110.531 175.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -75.72 -57.3 3.96 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.083 -178.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.732 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 2.5 pp -78.26 6.39 8.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.557 -176.018 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . 0.506 ' HG2' ' O ' ' A' ' 405' ' ' CYS . 8.3 tmtm? -58.57 -33.67 70.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.389 0.614 . . . . 0.0 109.569 173.613 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -80.24 -2.66 46.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.641 -178.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -106.15 14.83 27.14 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.18 0.514 . . . . 0.0 110.455 -178.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 93.79 65.64 1.05 Allowed Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.544 -179.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 405' ' ' CYS . . . . . 0.506 ' O ' ' HG2' ' A' ' 401' ' ' LYS . 8.1 t -170.38 167.55 8.28 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 -179.385 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 12.1 p -162.11 137.71 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 172.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 407' ' ' PHE . . . . . 0.495 ' HD2' ' SG ' ' A' ' 397' ' ' CYS . 25.5 t80 -70.65 123.7 22.5 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 177.196 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -98.72 108.19 20.82 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 18.8 p -76.5 -13.37 60.1 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.628 -175.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -69.54 -44.99 69.83 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.731 -177.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 12.9 p -103.39 -1.45 28.58 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.256 0.55 . . . . 0.0 109.942 174.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 4.2 t30 55.65 70.43 0.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.77 -1.105 . . . . 0.0 110.943 -179.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -162.02 155.16 20.53 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.562 179.182 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 414' ' ' CYS . . . . . 0.549 ' HB3' ' O ' ' A' ' 387' ' ' CYS . 0.1 OUTLIER -69.87 117.83 11.95 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.667 168.186 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -135.46 141.37 45.35 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.053 0.454 . . . . 0.0 110.955 -176.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.548 HD21 ' HD3' ' A' ' 421' ' ' LYS . 19.3 tp -72.4 130.56 41.0 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 175.355 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 417' ' ' LYS . . . . . 0.41 ' HD2' ' HA ' ' A' ' 417' ' ' LYS . 44.2 tptt -78.11 78.87 4.58 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.657 0.742 . . . . 0.0 109.098 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . 0.596 ' O ' ' HB2' ' A' ' 422' ' ' GLU . 51.4 mtpt -72.65 -16.2 61.71 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.476 -1.238 . . . . 0.0 111.863 -170.595 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -63.17 -64.58 0.87 Allowed 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.651 0.739 . . . . 0.0 109.685 173.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 420' ' ' VAL . . . . . 0.428 ' O ' HD23 ' A' ' 424' ' ' LEU . 44.4 t -61.45 -42.75 95.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 114.715 -1.129 . . . . 0.0 110.372 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . 0.548 ' HD3' HD21 ' A' ' 416' ' ' LEU . 15.2 ttpp -60.62 -32.05 71.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.628 -179.451 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 422' ' ' GLU . . . . . 0.596 ' HB2' ' O ' ' A' ' 418' ' ' LYS . 6.5 tp10 -66.62 -52.25 47.19 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.395 -177.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 18.0 ttpp -75.45 -21.56 58.03 Favored 'General case' 0 C--O 1.225 -0.19 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.498 -176.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 424' ' ' LEU . . . . . 0.428 HD23 ' O ' ' A' ' 420' ' ' VAL . 3.9 mm? -78.45 -45.47 22.11 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.196 0.522 . . . . 0.0 110.108 177.198 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 425' ' ' GLU . . . . . 0.642 ' HG2' ' HG3' ' A' ' 426' ' ' LYS . 39.4 tt0 -61.57 -53.73 52.43 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.465 174.265 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 426' ' ' LYS . . . . . 0.642 ' HG3' ' HG2' ' A' ' 425' ' ' GLU . 27.6 mtmm -133.64 92.07 2.93 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.011 -179.283 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -74.5 -22.05 59.26 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 176.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 428' ' ' SER . . . . . 0.606 ' HB3' ' HG3' ' A' ' 432' ' ' GLU . 75.6 m 55.96 75.94 0.31 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 114.746 -1.115 . . . . 0.0 112.311 174.388 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -137.06 -0.17 2.3 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.91 177.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -88.14 -80.17 0.28 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.998 0.427 . . . . 0.0 110.573 -176.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 431' ' ' THR . . . . . . . . . . . . . 18.2 m -155.59 79.68 1.02 Allowed 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 178.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 432' ' ' GLU . . . . . 0.606 ' HG3' ' HB3' ' A' ' 428' ' ' SER . 2.1 mm-40 -106.55 174.55 5.84 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.353 -169.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 108.27 -81.83 0.29 Allowed Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 121.236 -0.507 . . . . 0.0 112.162 174.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -93.22 102.41 14.7 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.988 0.423 . . . . 0.0 110.103 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 435' ' ' ASP . . . . . 0.517 ' HB3' ' O ' ' A' ' 438' ' ' ALA . 36.7 m-20 -70.0 104.05 2.44 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.583 177.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -64.2 -80.26 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.861 -174.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 35.5 mtmm -81.99 -62.07 1.73 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.028 0.442 . . . . 0.0 109.833 -179.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . 0.517 ' O ' ' HB3' ' A' ' 435' ' ' ASP . . . -137.49 -68.31 0.47 Allowed 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 175.183 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 65.05 -1.18 0.91 Allowed 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.436 172.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 41.4 p -88.95 174.92 7.65 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.86 0.362 . . . . 0.0 110.823 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 2.0 m -82.54 -8.02 59.62 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.346 0.593 . . . . 0.0 110.618 178.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . -83.95 68.64 3.49 Favored Glycine 0 N--CA 1.45 -0.419 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.748 -176.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 66.1 m . . . . . 0 C--O 1.251 1.141 0 CA-C-O 118.267 -0.873 . . . . 0.0 109.655 176.54 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.697 0 N-CA-C 112.057 -0.417 . . . . 0.0 112.057 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 21.1 m -71.3 -32.73 68.98 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.804 0.335 . . . . 0.0 111.013 -176.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -108.28 -55.82 2.33 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.852 0.358 . . . . 0.0 110.526 178.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 374' ' ' LYS . . . . . . . . . . . . . 15.0 ptmm? -109.91 158.29 18.35 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.482 -174.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 375' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 66.15 112.88 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.349 -0.841 . . . . 0.0 112.211 178.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -84.04 77.69 9.89 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.439 0.638 . . . . 0.0 109.348 176.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 377' ' ' THR . . . . . . . . . . . . . 20.9 p -88.07 -1.27 57.9 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.801 -177.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 378' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -45.7 -48.35 15.12 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.69 -0.687 . . . . 0.0 112.009 -177.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 379' ' ' SER . . . . . 0.476 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 5.9 m -55.87 -60.35 3.59 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.283 -179.04 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -67.7 -34.99 77.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.395 -177.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -66.38 -56.96 8.54 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.663 -176.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 382' ' ' ASN . . . . . 0.562 ' O ' HG13 ' A' ' 386' ' ' ILE . 1.2 p30 -66.91 -32.09 73.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.322 -175.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 383' ' ' LYS . . . . . 0.684 ' HB3' HD13 ' A' ' 416' ' ' LEU . 0.3 OUTLIER -70.53 -45.28 65.84 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 -179.462 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 384' ' ' GLU . . . . . 0.5 ' HA ' ' HB2' ' A' ' 416' ' ' LEU . 7.1 tp10 -53.78 -47.68 70.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.67 174.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -60.46 -37.36 80.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.173 -0.921 . . . . 0.0 111.841 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 386' ' ' ILE . . . . . 0.562 HG13 ' O ' ' A' ' 382' ' ' ASN . 77.2 mt -62.93 -42.72 97.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.448 0.642 . . . . 0.0 109.624 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 30.0 m -72.03 -37.53 69.72 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 114.946 -1.024 . . . . 0.0 110.827 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -71.48 -21.68 61.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.832 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -66.05 -14.12 61.16 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 120.787 0.327 . . . . 0.0 111.804 177.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -91.07 -21.54 21.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.087 0.47 . . . . 0.0 110.031 176.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 13.9 mtpp 57.12 -103.98 0.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.25 -0.886 . . . . 0.0 112.561 178.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -103.13 -7.92 20.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.817 -174.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -80.92 94.47 6.51 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.062 0.458 . . . . 0.0 109.809 -177.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -60.87 -46.03 92.22 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.064 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -61.05 -45.23 95.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.033 -175.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 396' ' ' ALA . . . . . 0.525 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -62.25 -36.56 82.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.035 0.445 . . . . 0.0 110.425 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . 0.54 ' HA ' HD11 ' A' ' 400' ' ' LEU . 1.9 t -75.18 -36.37 61.47 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.302 -179.059 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -62.44 -25.16 67.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.937 0.398 . . . . 0.0 110.549 175.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -76.55 -51.23 12.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.858 177.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.54 HD11 ' HA ' ' A' ' 397' ' ' CYS . 1.6 pp -86.66 14.36 7.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.417 0.627 . . . . 0.0 110.593 178.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . 0.594 ' HG3' ' O ' ' A' ' 405' ' ' CYS . 66.0 tttt -59.01 -15.03 11.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.89 175.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -53.43 -27.74 26.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.549 174.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 403' ' ' LYS . . . . . 0.404 ' HD2' ' N ' ' A' ' 403' ' ' LYS . 3.3 mptp? -85.84 -8.61 57.97 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.794 0.331 . . . . 0.0 111.287 -178.594 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 404' ' ' GLY . . . . . 0.466 ' O ' HD12 ' A' ' 416' ' ' LEU . . . 99.01 52.61 1.25 Allowed Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.878 -0.677 . . . . 0.0 111.919 -177.301 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 405' ' ' CYS . . . . . 0.594 ' O ' ' HG3' ' A' ' 401' ' ' LYS . 92.1 m -115.91 117.73 30.98 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.905 0.383 . . . . 0.0 110.777 -177.349 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 57.3 t -117.12 116.52 52.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.189 -177.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 407' ' ' PHE . . . . . 0.818 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 26.5 t80 -61.06 121.05 11.49 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 175.347 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 408' ' ' ASN . . . . . 0.505 ' ND2' ' HB3' ' A' ' 410' ' ' GLU . 65.5 t30 -109.74 105.6 14.91 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.41 -173.181 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 10.6 p -62.52 -21.29 65.42 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.042 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 410' ' ' GLU . . . . . 0.505 ' HB3' ' ND2' ' A' ' 408' ' ' ASN . 26.6 tp10 -58.08 -39.75 79.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.527 176.537 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 15.2 m -106.48 -9.76 16.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.085 179.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 7.8 t30 71.98 15.84 5.55 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 121.813 0.816 . . . . 0.0 110.33 178.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -136.29 162.08 33.99 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 178.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 414' ' ' CYS . . . . . 0.818 ' HA ' ' HA ' ' A' ' 407' ' ' PHE . 16.4 t -82.28 128.66 34.42 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 120.234 -0.587 . . . . 0.0 109.559 176.467 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -124.24 174.69 7.53 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.842 -177.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.684 HD13 ' HB3' ' A' ' 383' ' ' LYS . 57.9 tp -63.88 152.52 39.5 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.152 176.288 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 417' ' ' LYS . . . . . 0.5 ' HG2' ' HB3' ' A' ' 419' ' ' ASP . 87.2 tttt -47.22 104.45 0.05 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.554 176.102 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . 0.65 ' HA ' ' HB2' ' A' ' 421' ' ' LYS . 58.1 pttt -72.7 -3.41 24.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 112.031 -173.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 419' ' ' ASP . . . . . 0.5 ' HB3' ' HG2' ' A' ' 417' ' ' LYS . 2.4 t70 -64.52 -43.73 93.11 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 168.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 420' ' ' VAL . . . . . 0.423 ' HA ' ' HG2' ' A' ' 423' ' ' LYS . 46.4 t -77.59 -37.93 25.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.265 178.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . 0.65 ' HB2' ' HA ' ' A' ' 418' ' ' LYS . 27.9 mtpp -60.42 -43.67 96.52 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.933 178.533 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -60.58 -57.25 13.54 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.716 177.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 423' ' ' LYS . . . . . 0.423 ' HG2' ' HA ' ' A' ' 420' ' ' VAL . 20.1 ptmt -66.27 -16.65 64.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.269 -0.423 . . . . 0.0 112.055 -173.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 57.7 tp -88.44 -42.91 11.84 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.756 0.313 . . . . 0.0 111.038 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -91.62 -7.1 51.01 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.322 -173.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -68.53 135.51 51.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.982 0.42 . . . . 0.0 110.575 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -117.75 -72.83 0.67 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.451 176.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 5.9 p -129.16 77.59 1.8 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.226 0.536 . . . . 0.0 110.793 -178.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -106.9 -26.25 11.3 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.259 176.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -151.59 144.97 24.78 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 431' ' ' THR . . . . . . . . . . . . . 21.0 p -117.11 -52.94 2.49 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.28 -177.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 432' ' ' GLU . . . . . 0.481 ' HB3' ' HG2' ' A' ' 434' ' ' LYS . 8.6 tp10 -164.81 -2.34 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.149 0.5 . . . . 0.0 110.945 -177.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 59.77 26.36 62.64 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 121.143 -0.551 . . . . 0.0 112.427 -173.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 434' ' ' LYS . . . . . 0.481 ' HG2' ' HB3' ' A' ' 432' ' ' GLU . 61.7 pttt -104.43 -4.87 22.24 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 122.971 -0.135 . . . . 0.0 110.719 -178.18 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 21.7 t70 65.88 119.75 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.364 0 O-C-N 123.908 0.755 . . . . 0.0 111.268 -174.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.42 87.74 6.12 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.092 -176.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 58.3 mttp 57.71 45.01 19.6 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.446 176.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . 63.65 79.63 0.25 Allowed 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.031 -175.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -67.97 130.51 43.18 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.36 -176.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 9.3 t -173.03 161.21 4.35 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.456 -177.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 46.2 p -75.24 -15.1 60.56 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.179 0.514 . . . . 0.0 110.293 175.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . 145.11 -64.3 0.46 Allowed Glycine 0 N--CA 1.445 -0.765 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 11.5 m . . . . . 0 C--O 1.251 1.14 0 CA-C-O 118.648 -0.691 . . . . 0.0 109.517 176.663 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.687 0 N-CA-C 111.697 -0.561 . . . . 0.0 111.697 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 25.0 m -75.32 93.5 2.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.108 0.48 . . . . 0.0 110.556 -179.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 57.3 tttp -154.75 -69.74 0.13 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.986 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 374' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -176.66 149.71 0.79 Allowed 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 375' ' ' GLN . . . . . 0.416 HE21 ' HB2' ' A' ' 375' ' ' GLN . 8.1 tt0 -158.35 -77.73 0.07 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.842 0.353 . . . . 0.0 111.026 176.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 376' ' ' GLN . . . . . 0.408 ' HG3' ' HG2' ' A' ' 375' ' ' GLN . 77.2 mt-30 -132.8 172.61 12.35 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 377' ' ' THR . . . . . . . . . . . . . 29.0 p 46.58 40.23 8.04 Favored 'General case' 0 N--CA 1.465 0.286 0 O-C-N 123.63 0.581 . . . . 0.0 110.694 -174.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 378' ' ' GLU . . . . . 0.415 ' HA ' ' HB3' ' A' ' 381' ' ' GLU . 0.0 OUTLIER -56.58 -35.73 68.53 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 115.055 -0.975 . . . . 0.0 111.916 -173.256 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 18.1 m -61.62 -48.95 78.58 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.984 0.421 . . . . 0.0 110.382 -179.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -71.03 -37.86 72.6 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.245 176.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 381' ' ' GLU . . . . . 0.415 ' HB3' ' HA ' ' A' ' 378' ' ' GLU . 41.0 tt0 -58.77 -54.15 50.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.973 -177.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 382' ' ' ASN . . . . . 0.474 ' O ' HG13 ' A' ' 386' ' ' ILE . 3.4 p30 -73.52 -31.12 63.52 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.921 -175.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 383' ' ' LYS . . . . . 0.437 ' HB3' HD13 ' A' ' 416' ' ' LEU . 13.3 mptt -71.88 -35.14 69.67 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 120.96 0.41 . . . . 0.0 109.962 177.108 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -58.3 -44.27 88.45 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.643 173.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 385' ' ' LYS . . . . . 0.509 ' HD3' ' O ' ' A' ' 385' ' ' LYS . 1.4 tmtp? -63.93 -32.86 74.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.521 -179.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 386' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 382' ' ' ASN . 71.5 mt -63.43 -44.98 99.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.334 0.588 . . . . 0.0 109.541 178.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 35.4 m -71.33 -39.92 71.08 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.588 178.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.02 -19.3 64.89 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 179.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -71.11 -18.4 62.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.87 0.367 . . . . 0.0 110.685 176.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -86.75 -15.95 37.87 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 175.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp 57.53 -141.15 0.78 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 114.662 -1.153 . . . . 0.0 111.152 175.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 392' ' ' ASP . . . . . 0.601 ' HA ' ' HA ' ' A' ' 413' ' ' LYS . 6.7 p-10 -86.16 5.85 32.08 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.086 -179.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -84.76 102.03 12.7 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.159 0.504 . . . . 0.0 109.993 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -65.34 -34.45 78.36 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.959 -175.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -57.16 -46.52 82.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.764 178.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 396' ' ' ALA . . . . . 0.47 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -64.57 -40.11 94.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.492 178.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 27.2 t -60.71 -48.46 81.68 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.56 179.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -60.98 -27.45 68.3 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.502 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -70.07 -36.88 75.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.935 0.398 . . . . 0.0 111.016 178.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 1.7 pp -111.26 20.6 17.18 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.404 0.621 . . . . 0.0 110.984 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 4.9 tmtp? -54.76 -42.54 71.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.875 -1.057 . . . . 0.0 111.837 -178.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -63.93 -15.39 59.03 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.889 -177.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -80.93 3.15 23.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.747 0.308 . . . . 0.0 111.196 -179.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 404' ' ' GLY . . . . . 0.423 ' O ' ' HD2' ' A' ' 417' ' ' LYS . . . 100.06 12.59 39.24 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.052 179.345 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 405' ' ' CYS . . . . . 0.629 ' HB3' ' SG ' ' A' ' 414' ' ' CYS . 96.4 m -98.94 118.28 35.36 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.006 0.431 . . . . 0.0 110.552 -178.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 59.8 t -120.87 125.26 73.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.832 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 407' ' ' PHE . . . . . 0.59 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 26.2 t80 -66.26 123.03 18.83 Favored 'General case' 0 N--CA 1.44 -0.928 0 CA-C-O 121.051 0.453 . . . . 0.0 109.785 177.266 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -99.74 112.98 25.18 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.364 -179.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 21.3 p -71.61 -12.22 61.24 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.624 -174.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -73.53 -60.01 2.45 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 92.0 p -83.74 -12.93 55.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.79 0.329 . . . . 0.0 110.359 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 6.8 t30 61.62 69.39 0.65 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.881 -178.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 413' ' ' LYS . . . . . 0.601 ' HA ' ' HA ' ' A' ' 392' ' ' ASP . 26.0 pttm -174.79 165.89 3.66 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.235 173.219 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 414' ' ' CYS . . . . . 0.629 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 36.6 t -83.19 117.71 23.1 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.03 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -122.47 154.66 37.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.929 0.395 . . . . 0.0 110.861 -176.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.506 ' HG ' ' H ' ' A' ' 418' ' ' LYS . 60.6 tp -65.78 128.45 36.04 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 176.46 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 417' ' ' LYS . . . . . 0.423 ' HD2' ' O ' ' A' ' 404' ' ' GLY . 0.0 OUTLIER -62.77 -21.16 65.65 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.958 -0.297 . . . . 0.0 111.192 -174.723 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . 0.506 ' H ' ' HG ' ' A' ' 416' ' ' LEU . 38.8 mtpt -68.33 -33.68 74.73 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-O 121.042 0.449 . . . . 0.0 110.576 176.426 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 419' ' ' ASP . . . . . 0.447 ' O ' ' HE3' ' A' ' 423' ' ' LYS . 21.7 t70 -81.31 -43.34 19.24 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.84 -178.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 58.5 t -56.85 -52.78 50.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.965 176.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 56.2 mttm -64.91 -30.63 71.64 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.667 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 422' ' ' GLU . . . . . 0.489 ' HB2' ' O ' ' A' ' 418' ' ' LYS . 6.2 tp10 -64.35 -48.62 74.83 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 120.814 -0.355 . . . . 0.0 110.591 -179.177 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 423' ' ' LYS . . . . . 0.447 ' HE3' ' O ' ' A' ' 419' ' ' ASP . 0.0 OUTLIER -83.25 -22.79 32.97 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.824 0.345 . . . . 0.0 111.639 -178.533 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 8.2 tt -82.51 -63.21 1.42 Allowed 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 178.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -74.1 -37.01 64.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.563 -177.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 426' ' ' LYS . . . . . 0.489 ' HA ' ' O ' ' A' ' 422' ' ' GLU . 27.4 mtmm 71.39 128.08 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 122.021 0.915 . . . . 0.0 113.139 175.373 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . 0.454 ' HA ' HG21 ' A' ' 431' ' ' THR . 9.8 pt-20 -72.81 -13.45 61.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.586 -1.188 . . . . 0.0 110.892 179.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 7.3 m -76.48 -1.2 26.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.046 -174.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 429' ' ' LYS . . . . . 0.413 ' HE3' ' HB3' ' A' ' 429' ' ' LYS . 29.8 mtpp -88.51 -62.4 1.5 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.076 0.465 . . . . 0.0 110.583 177.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -173.74 -62.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.075 -0.966 . . . . 0.0 108.712 -176.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 431' ' ' THR . . . . . 0.647 ' HB ' ' HD3' ' A' ' 434' ' ' LYS . 81.8 p 55.63 24.29 6.93 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 124.423 1.089 . . . . 0.0 112.738 177.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -83.17 100.66 10.7 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 121.225 0.536 . . . . 0.0 109.751 171.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 133.35 -60.82 0.66 Allowed Glycine 0 N--CA 1.447 -0.613 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.159 -176.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 434' ' ' LYS . . . . . 0.647 ' HD3' ' HB ' ' A' ' 431' ' ' THR . 25.6 mmmt 63.58 87.36 0.11 Allowed 'General case' 0 C--O 1.233 0.214 0 C-N-CA 122.997 0.519 . . . . 0.0 110.414 178.23 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -62.64 -34.03 76.24 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.426 -177.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 21.1 tp10 64.64 -91.47 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.016 177.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -87.33 -73.93 0.46 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.757 0.313 . . . . 0.0 110.85 -176.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -148.18 117.48 6.9 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.203 0.525 . . . . 0.0 110.881 -178.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -129.23 78.7 1.87 Allowed 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 174.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 32.1 m -72.32 116.88 13.27 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.673 -171.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 23.6 m 70.38 89.41 0.1 Allowed 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.064 178.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . 166.07 -108.18 0.31 Allowed Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.563 178.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 46.4 m . . . . . 0 C--O 1.252 1.214 0 C-N-CA 123.095 0.558 . . . . 0.0 110.733 -177.258 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.742 0 N-CA-C 111.924 -0.47 . . . . 0.0 111.924 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 18.1 m -99.28 76.39 2.06 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.275 0.56 . . . . 0.0 110.082 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -88.29 -15.03 36.85 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.308 -177.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 374' ' ' LYS . . . . . . . . . . . . . 97.0 mttt 68.07 29.57 6.26 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.734 -177.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 375' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 68.17 -176.41 0.2 Allowed 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 114.553 -1.203 . . . . 0.0 111.094 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 376' ' ' GLN . . . . . 0.413 ' O ' ' HG2' ' A' ' 376' ' ' GLN . 21.3 tt0 -91.56 -0.96 57.65 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.195 0.521 . . . . 0.0 110.325 -179.093 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 377' ' ' THR . . . . . . . . . . . . . 18.3 p -70.54 -70.07 0.32 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.548 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 378' ' ' GLU . . . . . 0.473 ' CD ' ' H ' ' A' ' 379' ' ' SER . 1.4 tm-20 61.77 175.48 0.12 Allowed 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.004 178.395 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 379' ' ' SER . . . . . 0.473 ' H ' ' CD ' ' A' ' 378' ' ' GLU . 62.6 p -55.34 -28.98 57.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.13 -178.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -53.2 -51.54 61.77 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.828 176.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -60.66 -53.6 55.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.843 179.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 382' ' ' ASN . . . . . 0.551 ' O ' HG13 ' A' ' 386' ' ' ILE . 14.4 m-80 -60.46 -50.8 72.14 Favored 'General case' 0 CA--C 1.509 -0.628 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.348 -176.328 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 383' ' ' LYS . . . . . 0.798 ' HB3' HD13 ' A' ' 416' ' ' LEU . 13.8 mptt -64.66 -41.44 96.1 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.847 -174.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -58.83 -46.57 87.37 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.657 173.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 30.9 mmtm -72.88 -18.5 61.42 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.543 -0.753 . . . . 0.0 112.603 -176.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 386' ' ' ILE . . . . . 0.551 HG13 ' O ' ' A' ' 382' ' ' ASN . 96.6 mt -72.96 -46.3 52.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 172.624 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 20.2 m -70.26 -40.18 74.55 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.071 177.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -69.12 -29.11 67.1 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.669 -178.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -62.63 -20.2 64.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.822 0.344 . . . . 0.0 111.306 174.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -82.28 -31.1 30.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.085 0.469 . . . . 0.0 109.77 179.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 57.1 mttm 60.8 -124.86 0.96 Allowed 'General case' 0 C--O 1.234 0.269 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.559 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -83.92 -16.55 43.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.554 -176.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -72.32 98.58 2.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.849 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 394' ' ' GLN . . . . . 0.507 ' O ' ' HG2' ' A' ' 398' ' ' GLU . 37.4 tt0 -69.98 -41.55 74.28 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.81 -178.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 59.6 mmtt -53.64 -49.55 67.66 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 123.197 0.311 . . . . 0.0 111.397 -179.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -58.19 -41.76 84.62 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-O 121.394 0.616 . . . . 0.0 110.279 178.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . 0.417 ' O ' ' HB2' ' A' ' 401' ' ' LYS . 44.0 t -63.08 -49.2 75.42 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.089 -0.959 . . . . 0.0 110.435 177.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 398' ' ' GLU . . . . . 0.507 ' HG2' ' O ' ' A' ' 394' ' ' GLN . 33.8 mm-40 -49.37 -32.49 11.55 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 123.477 0.486 . . . . 0.0 111.757 178.356 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -67.2 -56.04 11.54 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.901 0.381 . . . . 0.0 110.835 176.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.456 HD13 HG22 ' A' ' 386' ' ' ILE . 2.9 pp -91.06 12.47 19.75 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.129 0.49 . . . . 0.0 111.772 -175.114 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . 0.575 ' HA ' ' HB2' ' A' ' 405' ' ' CYS . 69.5 tttt -68.06 -22.52 64.93 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.79 -171.197 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -66.27 -14.42 61.95 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.324 -176.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -81.93 -8.61 59.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.957 0.408 . . . . 0.0 110.791 178.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 404' ' ' GLY . . . . . 0.449 ' CA ' ' HD2' ' A' ' 417' ' ' LYS . . . 118.13 48.58 0.39 Allowed Glycine 0 N--CA 1.443 -0.857 0 C-N-CA 120.421 -0.895 . . . . 0.0 113.065 176.69 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 405' ' ' CYS . . . . . 0.575 ' HB2' ' HA ' ' A' ' 401' ' ' LYS . 94.2 m -111.4 145.62 38.61 Favored 'General case' 0 C--N 1.319 -0.737 0 O-C-N 122.542 -0.387 . . . . 0.0 110.468 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 7.6 p -138.84 123.37 21.01 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 174.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 407' ' ' PHE . . . . . 0.663 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 16.7 t80 -74.22 113.09 11.02 Favored 'General case' 0 N--CA 1.439 -1.021 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 179.091 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -99.77 109.69 22.11 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.401 -175.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 15.6 p -67.93 -17.17 64.38 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.532 -176.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -76.43 -21.16 56.3 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.281 -178.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 15.3 m -114.29 -7.3 12.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.937 174.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 5.2 t30 55.01 59.52 3.99 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.122 -0.945 . . . . 0.0 110.624 -177.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 4.3 ptpp? -179.28 166.14 1.48 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.942 176.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 414' ' ' CYS . . . . . 0.663 ' HA ' ' HA ' ' A' ' 407' ' ' PHE . 0.5 OUTLIER -83.72 121.37 27.19 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.175 0.512 . . . . 0.0 111.074 178.261 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -116.34 171.85 7.57 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.988 178.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.798 HD13 ' HB3' ' A' ' 383' ' ' LYS . 38.2 tp -75.19 131.36 40.37 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.585 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 417' ' ' LYS . . . . . 0.449 ' HD2' ' CA ' ' A' ' 404' ' ' GLY . 0.0 OUTLIER -67.69 -16.95 64.4 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.873 0.368 . . . . 0.0 111.109 -176.416 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . 0.547 ' H ' ' HG ' ' A' ' 416' ' ' LEU . 18.7 ttpp -58.83 -46.56 87.4 Favored 'General case' 0 C--O 1.222 -0.342 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.603 -177.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -65.96 -39.62 90.57 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.59 -177.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 50.0 t -59.51 -46.93 92.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.574 179.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 22.4 ttpp -70.98 -45.3 64.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.292 0.568 . . . . 0.0 110.526 179.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -55.53 -56.02 25.08 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.804 -1.089 . . . . 0.0 111.07 -178.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 423' ' ' LYS . . . . . 0.46 ' HB2' ' NZ ' ' A' ' 423' ' ' LYS . 4.8 ttmp? -67.4 -32.68 73.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.859 -177.367 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 55.5 tp -67.29 -45.08 77.62 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.264 179.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -79.0 -90.52 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.716 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 426' ' ' LYS . . . . . 0.804 ' HB2' ' HG2' ' A' ' 430' ' ' GLU . 28.3 mmtp -160.86 154.29 21.92 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 -172.034 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -93.92 -53.97 3.78 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.305 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 8.8 p -140.52 25.63 2.19 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.93 0.395 . . . . 0.0 110.993 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 429' ' ' LYS . . . . . 0.631 ' HB2' ' HD2' ' A' ' 426' ' ' LYS . 30.5 mmmt -116.24 16.45 15.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.615 -173.596 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . 0.804 ' HG2' ' HB2' ' A' ' 426' ' ' LYS . 21.9 mm-40 -87.59 -65.46 1.01 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 111.682 0.253 . . . . 0.0 111.682 -177.71 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 431' ' ' THR . . . . . . . . . . . . . 5.6 t -158.93 -30.97 0.07 Allowed 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 111.933 0.345 . . . . 0.0 111.933 -174.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 55.54 71.15 0.57 Allowed 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.386 0.612 . . . . 0.0 110.709 -174.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 160.01 144.74 4.06 Favored Glycine 0 N--CA 1.444 -0.777 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.837 -178.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -125.91 -49.79 1.6 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.364 0.126 . . . . 0.0 110.788 -179.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 58.83 40.51 22.77 Favored 'General case' 0 N--CA 1.464 0.235 0 O-C-N 123.665 0.603 . . . . 0.0 110.376 -179.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -54.92 -75.08 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.497 179.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 4.9 ttmp? -156.86 116.49 3.47 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 175.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . 69.8 12.54 7.99 Favored 'General case' 0 N--CA 1.464 0.261 0 O-C-N 123.88 0.738 . . . . 0.0 110.266 -178.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -82.94 106.95 15.19 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.389 176.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 27.8 p 48.75 70.47 0.46 Allowed 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.624 0.726 . . . . 0.0 111.292 -174.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 41.6 m -130.92 97.91 4.46 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.65 -179.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . -101.87 -41.6 2.44 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.707 -0.759 . . . . 0.0 111.462 177.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 36.0 m . . . . . 0 C--O 1.247 0.949 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 175.925 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.575 0 N-CA-C 111.951 -0.46 . . . . 0.0 111.951 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 36.1 m 59.63 82.33 0.15 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.43 0.633 . . . . 0.0 112.405 178.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.39 15.24 22.34 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.53 0.681 . . . . 0.0 109.691 171.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 374' ' ' LYS . . . . . 0.424 ' HB2' ' NZ ' ' A' ' 374' ' ' LYS . 9.9 mtmp? -86.07 120.54 27.56 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.156 -0.929 . . . . 0.0 109.894 177.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 375' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -116.47 135.83 53.5 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.799 0.333 . . . . 0.0 110.375 -177.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 55.4 tp60 -72.7 -30.67 64.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.303 0.573 . . . . 0.0 111.075 -175.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 377' ' ' THR . . . . . . . . . . . . . 24.3 p -81.93 73.02 8.99 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.265 177.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 378' ' ' GLU . . . . . . . . . . . . . 39.6 tp10 -56.09 -47.61 77.69 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.257 -0.883 . . . . 0.0 111.525 -176.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 379' ' ' SER . . . . . 0.511 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 16.4 t -65.63 -46.82 77.81 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.7 -174.558 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -64.5 -40.79 96.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.961 -178.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.21 -57.61 7.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.867 -176.25 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 382' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -65.9 -37.95 87.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.042 -174.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 383' ' ' LYS . . . . . 0.511 ' HB2' ' O ' ' A' ' 379' ' ' SER . 12.9 mptt -64.81 -47.07 79.37 Favored 'General case' 0 CA--C 1.519 -0.22 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.345 179.601 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 384' ' ' GLU . . . . . 0.445 ' OE1' ' HB2' ' A' ' 415' ' ' GLU . 8.2 mm-40 -52.09 -48.83 64.52 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.303 174.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.18 -46.26 79.44 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.709 -179.304 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 386' ' ' ILE . . . . . . . . . . . . . 81.7 mt -65.73 -44.27 93.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.342 0.592 . . . . 0.0 110.186 -178.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 63.5 m -64.76 -39.04 92.96 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.862 178.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.33 -21.91 62.86 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.763 -179.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -65.84 -19.1 65.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.422 177.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -81.99 -24.48 35.42 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.288 0.566 . . . . 0.0 109.503 177.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? 57.73 -105.86 0.28 Allowed 'General case' 0 C--O 1.232 0.175 0 CA-C-N 114.819 -1.082 . . . . 0.0 112.107 175.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -104.46 -13.91 15.89 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.779 -1.1 . . . . 0.0 111.128 -172.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -85.05 99.26 10.91 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.175 -175.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -59.12 -38.19 79.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.173 -177.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . 0.425 ' HD3' ' HA ' ' A' ' 395' ' ' LYS . 71.6 mmtt -61.92 -33.45 74.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.787 -0.188 . . . . 0.0 111.405 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 396' ' ' ALA . . . . . 0.461 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -67.76 -42.16 82.21 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.031 0.444 . . . . 0.0 109.934 175.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 38.4 t -60.45 -42.79 96.87 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.753 176.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -57.57 -37.4 73.08 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.414 177.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -65.52 -41.46 93.11 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.436 -178.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 1.5 pp -108.18 16.18 23.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.001 0.429 . . . . 0.0 111.512 -177.675 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . 0.601 ' HG2' ' O ' ' A' ' 405' ' ' CYS . 5.4 tmtt? -58.69 -29.62 66.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.223 -176.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -57.16 -36.25 70.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.602 -179.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 403' ' ' LYS . . . . . 0.409 ' HD2' ' N ' ' A' ' 403' ' ' LYS . 0.7 OUTLIER -75.99 7.58 3.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.858 -173.02 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 404' ' ' GLY . . . . . 0.495 ' O ' ' HD2' ' A' ' 417' ' ' LYS . . . 108.9 8.92 27.22 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.838 175.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 405' ' ' CYS . . . . . 0.681 ' HB3' ' SG ' ' A' ' 414' ' ' CYS . 71.0 m -87.99 148.29 24.61 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-O 120.91 0.386 . . . . 0.0 110.696 -178.643 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 8.8 p -148.54 134.47 11.89 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 174.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 407' ' ' PHE . . . . . 0.535 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 29.4 t80 -89.18 127.16 35.72 Favored 'General case' 0 N--CA 1.439 -1.021 0 CA-C-O 121.063 0.459 . . . . 0.0 110.343 -178.19 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -100.07 108.81 21.06 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 175.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.02 -18.85 62.57 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -177.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -67.62 -66.35 0.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.51 178.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 27.0 m -74.81 -18.73 60.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.901 0.382 . . . . 0.0 110.606 177.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 7.3 t30 67.08 74.88 0.32 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.389 178.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -176.29 155.28 1.46 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.736 169.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 414' ' ' CYS . . . . . 0.681 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 52.2 t -91.36 132.94 35.86 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 176.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 415' ' ' GLU . . . . . 0.445 ' HB2' ' OE1' ' A' ' 384' ' ' GLU . 11.3 pt-20 -145.31 174.07 11.43 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.634 0.254 . . . . 0.0 110.758 -179.447 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.656 ' HB3' ' HE3' ' A' ' 418' ' ' LYS . 55.0 tp -72.3 137.3 46.61 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.394 179.232 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 417' ' ' LYS . . . . . 0.648 ' HG2' ' HB ' ' A' ' 420' ' ' VAL . 0.0 OUTLIER -81.56 71.03 8.56 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 122.974 1.369 . . . . 0.0 111.005 -179.07 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . 0.656 ' HE3' ' HB3' ' A' ' 416' ' ' LEU . 2.6 mptt -60.61 -29.55 69.3 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 114.654 -1.157 . . . . 0.0 109.742 179.283 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -59.73 -46.47 89.01 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.655 -1.157 . . . . 0.0 111.083 -177.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 420' ' ' VAL . . . . . 0.648 ' HB ' ' HG2' ' A' ' 417' ' ' LYS . 95.8 t -70.77 -46.57 68.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.196 -178.249 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 19.5 ttpp -64.51 -41.73 96.24 Favored 'General case' 0 CA--C 1.52 -0.197 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.606 -177.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -61.93 -40.97 97.35 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.488 -177.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 40.7 tptt -77.41 -22.2 51.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.976 0.417 . . . . 0.0 111.423 -176.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 42.7 tp -92.88 -41.09 10.25 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.879 -177.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 425' ' ' GLU . . . . . 0.722 ' HG2' ' HA ' ' A' ' 428' ' ' SER . 28.9 tt0 -79.41 -35.36 40.73 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.355 -177.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 99.3 mttt 61.8 -91.25 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.504 -0.771 . . . . 0.0 112.19 177.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -100.87 31.17 3.67 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.566 -172.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 428' ' ' SER . . . . . 0.722 ' HA ' ' HG2' ' A' ' 425' ' ' GLU . 33.2 p 47.6 69.85 0.48 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.751 0.786 . . . . 0.0 110.234 -172.102 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -86.22 32.39 0.62 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.239 -175.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -86.61 22.31 1.94 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.694 -178.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 431' ' ' THR . . . . . . . . . . . . . 8.0 t -79.83 -12.34 59.77 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.002 176.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 62.78 77.37 0.33 Allowed 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.522 -179.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -129.61 99.01 0.45 Allowed Glycine 0 N--CA 1.445 -0.717 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.942 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -98.95 -69.23 0.77 Allowed 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 178.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 435' ' ' ASP . . . . . 0.425 ' HA ' ' HB3' ' A' ' 438' ' ' ALA . 12.4 m-20 61.04 19.6 10.08 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.506 -0.77 . . . . 0.0 113.044 170.341 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -80.69 124.78 29.31 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.07 -0.344 . . . . 0.0 110.07 -178.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp 59.33 26.11 14.91 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 121.59 0.709 . . . . 0.0 109.863 -174.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . 0.425 ' HB3' ' HA ' ' A' ' 435' ' ' ASP . . . -126.67 -65.35 0.97 Allowed 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 114.999 -1.001 . . . . 0.0 110.627 -174.066 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -95.2 -81.86 0.39 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 10.2 m 51.95 73.12 0.34 Allowed 'General case' 0 CA--C 1.535 0.371 0 O-C-N 123.53 0.519 . . . . 0.0 111.563 178.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 43.8 p 51.27 95.0 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.77 0.828 . . . . 0.0 112.8 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . -92.79 -81.49 1.48 Allowed Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.031 179.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 C--O 1.246 0.891 0 CA-C-O 118.72 -0.657 . . . . 0.0 110.208 179.868 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.655 0 N-CA-C 111.606 -0.598 . . . . 0.0 111.606 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 25.5 t -122.11 135.54 54.81 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 176.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -98.93 2.66 46.72 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.108 0.48 . . . . 0.0 110.185 -178.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 374' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -71.56 -7.09 45.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.167 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 375' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -150.17 107.32 3.59 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 179.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -82.04 -75.84 0.28 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -174.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 377' ' ' THR . . . . . 0.4 HG23 ' H ' ' A' ' 380' ' ' ALA . 2.4 t -125.95 142.06 51.69 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-O 121.554 0.692 . . . . 0.0 112.528 -174.383 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 378' ' ' GLU . . . . . . . . . . . . . 3.7 pm0 -59.9 -32.17 70.5 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.175 -1.375 . . . . 0.0 111.18 174.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 379' ' ' SER . . . . . 0.439 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 36.5 m -60.28 -55.63 31.41 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.404 -178.113 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 380' ' ' ALA . . . . . 0.4 ' H ' HG23 ' A' ' 377' ' ' THR . . . -69.26 -37.2 77.81 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.778 0.323 . . . . 0.0 110.304 178.193 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -53.03 -60.15 3.64 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.624 -179.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 382' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -74.54 -34.29 62.95 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.135 -175.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 383' ' ' LYS . . . . . 0.63 ' HB3' HD13 ' A' ' 416' ' ' LEU . 5.7 mptp? -61.67 -54.31 44.44 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.151 178.562 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -54.16 -44.25 71.29 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.03 0.443 . . . . 0.0 110.608 176.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.26 -52.88 63.74 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.025 -179.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 386' ' ' ILE . . . . . . . . . . . . . 81.6 mt -67.31 -41.96 87.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.309 -175.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 387' ' ' CYS . . . . . 0.475 ' O ' ' HB3' ' A' ' 414' ' ' CYS . 74.0 m -62.32 -43.54 98.6 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.582 176.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -76.98 -20.04 56.58 Favored 'General case' 0 N--CA 1.463 0.225 0 C-N-CA 120.935 -0.306 . . . . 0.0 111.017 -176.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -68.55 -17.02 64.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.922 0.391 . . . . 0.0 111.051 177.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 390' ' ' ALA . . . . . 0.485 ' HB2' HD21 ' A' ' 400' ' ' LEU . . . -82.68 -24.81 33.53 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 177.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp 56.76 -145.58 0.6 Allowed 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.238 -0.892 . . . . 0.0 112.549 176.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -74.7 -7.66 53.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.291 -175.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 45.9 t-20 -78.28 103.01 7.95 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -68.24 -37.71 81.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.087 -176.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -55.94 -52.14 65.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.013 0.435 . . . . 0.0 110.169 178.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 396' ' ' ALA . . . . . 0.41 ' O ' ' HB2' ' A' ' 399' ' ' ASN . . . -61.21 -35.71 77.93 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.904 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . 0.402 ' HB2' ' HB2' ' A' ' 414' ' ' CYS . 52.7 t -61.49 -50.01 74.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.261 176.264 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 398' ' ' GLU . . . . . 0.507 ' HA ' ' HB2' ' A' ' 401' ' ' LYS . 12.8 mm-40 -62.32 -22.23 65.9 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.395 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 399' ' ' ASN . . . . . 0.41 ' HB2' ' O ' ' A' ' 396' ' ' ALA . 20.4 m-80 -68.2 -52.96 28.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.044 0.45 . . . . 0.0 110.459 175.152 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.485 HD21 ' HB2' ' A' ' 390' ' ' ALA . 2.0 pp -91.64 11.5 24.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.373 0.606 . . . . 0.0 110.796 -179.346 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . 0.507 ' HB2' ' HA ' ' A' ' 398' ' ' GLU . 4.2 tmtp? -54.57 -35.12 62.97 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.534 -178.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -66.77 -10.34 46.33 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.319 -177.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -95.28 15.77 18.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.919 0.39 . . . . 0.0 111.137 -179.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 91.6 22.04 32.55 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.766 174.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 405' ' ' CYS . . . . . 0.454 ' HB3' ' SG ' ' A' ' 414' ' ' CYS . 71.5 m -104.41 131.06 52.2 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.814 0.34 . . . . 0.0 110.404 179.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 79.6 t -128.98 115.8 38.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.328 -0.396 . . . . 0.0 109.956 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 407' ' ' PHE . . . . . 0.746 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 25.9 t80 -58.36 121.15 10.12 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.464 178.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 35.6 t30 -107.29 112.05 24.72 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.419 -179.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 7.8 p -70.47 -11.79 61.15 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.618 -175.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -72.43 -43.37 63.9 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.074 0.464 . . . . 0.0 110.387 176.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 9.4 p -91.72 -10.05 41.53 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.122 0.487 . . . . 0.0 109.978 175.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 4.9 t30 66.57 23.65 10.34 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.726 177.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -142.43 164.53 29.88 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.493 179.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 414' ' ' CYS . . . . . 0.746 ' HA ' ' HA ' ' A' ' 407' ' ' PHE . 17.5 t -67.95 115.1 7.08 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 174.315 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 415' ' ' GLU . . . . . 0.514 ' OE1' ' HG2' ' A' ' 421' ' ' LYS . 21.5 tt0 -113.26 160.76 17.97 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 -174.185 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.63 HD13 ' HB3' ' A' ' 383' ' ' LYS . 35.1 tp -61.29 143.82 54.99 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 172.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 417' ' ' LYS . . . . . 0.533 ' HE3' HG23 ' A' ' 420' ' ' VAL . 57.1 pttt -46.2 134.37 8.62 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 121.259 0.552 . . . . 0.0 111.597 -172.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . 0.643 ' O ' ' HG2' ' A' ' 422' ' ' GLU . 0.0 OUTLIER -57.19 -33.88 67.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.801 -169.444 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -49.27 -63.92 0.96 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.928 -177.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 420' ' ' VAL . . . . . 0.533 HG23 ' HE3' ' A' ' 417' ' ' LYS . 90.4 t -71.98 -32.04 42.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.735 -178.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . 0.514 ' HG2' ' OE1' ' A' ' 415' ' ' GLU . 19.3 tptp -60.83 -48.4 81.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.002 -178.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 422' ' ' GLU . . . . . 0.643 ' HG2' ' O ' ' A' ' 418' ' ' LYS . 14.7 mm-40 -64.5 -44.88 89.52 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.006 178.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -62.96 -15.52 56.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.498 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 58.8 tp -87.63 -52.08 5.53 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.923 178.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -89.24 -17.3 29.32 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -172.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -73.96 103.63 4.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.139 0.495 . . . . 0.0 110.375 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -145.19 -34.03 0.35 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.916 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 20.1 m -98.55 80.21 2.56 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.095 0.474 . . . . 0.0 110.681 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 48.0 pttt -103.37 -48.65 3.93 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.212 -0.449 . . . . 0.0 112.027 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . 0.454 ' O ' HG22 ' A' ' 431' ' ' THR . 22.5 tp10 -86.04 93.92 9.11 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.896 -176.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 431' ' ' THR . . . . . 0.454 HG22 ' O ' ' A' ' 430' ' ' GLU . 2.1 t 52.43 13.82 0.33 Allowed 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.695 1.198 . . . . 0.0 112.728 179.579 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 62.9 17.61 10.14 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.083 0.553 . . . . 0.0 111.762 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 96.1 149.79 26.09 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.658 -0.782 . . . . 0.0 111.715 -178.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 58.8 tptt 67.81 95.99 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.186 0.517 . . . . 0.0 110.361 -178.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -85.66 -19.36 31.05 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.007 -177.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 57.84 -87.75 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.754 -178.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -164.81 101.23 0.78 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.993 -1.003 . . . . 0.0 108.571 177.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . 65.59 75.98 0.34 Allowed 'General case' 0 C--N 1.329 -0.313 0 O-C-N 123.794 0.684 . . . . 0.0 110.622 -175.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -111.47 106.67 15.64 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.99 178.614 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 29.1 m -128.49 -36.54 1.87 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.726 172.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 21.0 m 59.88 70.72 0.62 Allowed 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.822 177.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . -92.8 103.79 3.1 Favored Glycine 0 N--CA 1.447 -0.577 0 CA-C-N 115.46 -0.791 . . . . 0.0 112.143 -178.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 46.9 m . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.451 -0.785 . . . . 0.0 109.766 178.55 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.863 0 N-CA-C 112.0 -0.44 . . . . 0.0 112.0 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 47.9 m 59.43 -159.54 0.3 Allowed 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 122.454 0.301 . . . . 0.0 110.561 -179.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -73.88 -20.74 60.32 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 177.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 374' ' ' LYS . . . . . . . . . . . . . 64.8 tttm 71.14 93.68 0.08 Allowed 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.447 175.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 375' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -135.7 103.68 5.51 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.07 -0.968 . . . . 0.0 109.524 177.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -116.39 0.12 12.7 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.015 -176.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 377' ' ' THR . . . . . . . . . . . . . 1.3 t -47.52 -60.56 2.45 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 115.157 -0.929 . . . . 0.0 113.356 -172.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 378' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -79.8 -22.72 42.75 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 122.005 -0.435 . . . . 0.0 111.126 -175.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 379' ' ' SER . . . . . 0.491 ' O ' ' HD3' ' A' ' 383' ' ' LYS . 33.1 t -63.69 -61.15 2.5 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.159 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -65.78 -39.58 91.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.888 -179.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -59.42 -55.51 33.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.776 -175.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 382' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.83 -35.19 76.67 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.835 -174.278 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 383' ' ' LYS . . . . . 0.491 ' HD3' ' O ' ' A' ' 379' ' ' SER . 6.1 mptp? -61.22 -53.63 54.46 Favored 'General case' 0 CA--C 1.521 -0.154 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 176.629 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -56.79 -42.37 79.35 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.949 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -60.6 -47.51 85.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.154 -179.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 386' ' ' ILE . . . . . 0.708 HD13 ' HD3' ' A' ' 403' ' ' LYS . 93.1 mt -64.51 -42.6 95.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.061 -177.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 61.4 m -62.65 -44.22 96.82 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.754 176.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.47 -17.77 61.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.279 -175.683 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -68.69 -13.64 62.5 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.876 0.37 . . . . 0.0 111.4 176.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -88.11 -18.45 28.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.12 0.486 . . . . 0.0 109.986 176.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 92.6 mttt 54.61 -106.23 0.31 Allowed 'General case' 0 C--O 1.235 0.305 0 CA-C-N 114.802 -1.09 . . . . 0.0 112.613 175.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -107.53 -4.64 18.18 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.182 -173.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -90.73 105.82 18.09 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.3 0.571 . . . . 0.0 110.852 -176.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 394' ' ' GLN . . . . . 0.42 ' HA ' ' CD2' ' A' ' 407' ' ' PHE . 64.9 tt0 -61.25 -41.82 97.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.208 -179.038 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -58.11 -47.56 82.89 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.51 -177.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 396' ' ' ALA . . . . . 0.412 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -64.45 -37.27 86.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.976 178.588 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . 0.484 ' SG ' ' HB2' ' A' ' 407' ' ' PHE . 41.9 t -61.16 -52.67 63.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.646 178.55 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 398' ' ' GLU . . . . . 0.444 ' HA ' ' HB2' ' A' ' 401' ' ' LYS . 63.2 mm-40 -60.76 -24.22 65.58 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.262 -178.703 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -66.84 -59.33 3.63 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.948 0.404 . . . . 0.0 110.607 174.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 2.1 pp -84.17 7.6 18.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.211 0.529 . . . . 0.0 111.311 -176.579 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . 0.54 ' HA ' ' HB2' ' A' ' 405' ' ' CYS . 83.1 tttt -61.4 -20.56 63.19 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.257 -0.883 . . . . 0.0 111.225 -178.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -59.76 -20.5 57.03 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.059 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 403' ' ' LYS . . . . . 0.708 ' HD3' HD13 ' A' ' 386' ' ' ILE . 99.7 mttt -89.63 5.24 46.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.361 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 404' ' ' GLY . . . . . 0.437 ' C ' ' HE3' ' A' ' 417' ' ' LYS . . . 99.84 55.41 1.0 Allowed Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.889 -0.672 . . . . 0.0 113.053 176.009 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 405' ' ' CYS . . . . . 0.54 ' HB2' ' HA ' ' A' ' 401' ' ' LYS . 79.6 m -124.65 172.2 9.46 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.837 0.351 . . . . 0.0 110.727 -179.349 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 7.4 p -158.67 125.75 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.058 173.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 407' ' ' PHE . . . . . 0.492 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 26.3 t80 -86.75 118.91 26.46 Favored 'General case' 0 N--CA 1.437 -1.103 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 174.545 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -99.68 110.63 23.03 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 1.3 p -66.56 -30.93 71.35 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 111.763 0.283 . . . . 0.0 111.763 -175.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 21.7 tp10 -58.65 -49.44 77.54 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.081 0.467 . . . . 0.0 110.662 176.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 10.4 m -81.54 -21.35 38.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.301 179.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 59.44 61.47 2.01 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.524 -177.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 23.3 pttp -168.88 154.18 6.18 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.347 175.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 414' ' ' CYS . . . . . 0.492 ' HA ' ' HA ' ' A' ' 407' ' ' PHE . 41.9 t -92.75 117.74 30.32 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 176.159 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -130.27 158.33 40.07 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.714 -173.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.485 HD13 ' HB3' ' A' ' 383' ' ' LYS . 39.3 tp -72.23 127.99 34.26 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 170.156 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 417' ' ' LYS . . . . . 0.445 ' O ' ' HG3' ' A' ' 421' ' ' LYS . 0.0 OUTLIER -77.3 37.36 0.2 Allowed 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 121.312 0.577 . . . . 0.0 111.096 -177.674 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . 0.434 ' O ' ' HB2' ' A' ' 422' ' ' GLU . 3.7 ptmm? -61.28 -21.73 64.2 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.867 -178.359 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 419' ' ' ASP . . . . . 0.612 ' O ' ' HE3' ' A' ' 423' ' ' LYS . 14.4 p-10 -86.28 -36.23 19.46 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.695 -177.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 420' ' ' VAL . . . . . 0.446 ' O ' ' HB2' ' A' ' 424' ' ' LEU . 58.8 t -61.08 -43.63 96.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 172.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' A' ' 417' ' ' LYS . 46.7 mtpt -69.79 -32.56 71.11 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.641 178.234 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 422' ' ' GLU . . . . . 0.434 ' HB2' ' O ' ' A' ' 418' ' ' LYS . 32.7 tt0 -62.92 -49.46 74.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.993 179.228 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 423' ' ' LYS . . . . . 0.612 ' HE3' ' O ' ' A' ' 419' ' ' ASP . 0.0 OUTLIER -82.84 -2.03 53.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.934 177.769 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 424' ' ' LEU . . . . . 0.446 ' HB2' ' O ' ' A' ' 420' ' ' VAL . 9.2 tt -86.57 -48.81 8.03 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 174.248 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -71.55 -28.86 64.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.104 176.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 66.0 mttm 63.58 18.64 11.23 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 169.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -85.62 -63.1 1.38 Allowed 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.494 -0.482 . . . . 0.0 110.204 178.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 47.4 m -79.61 90.44 5.15 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.031 0.443 . . . . 0.0 110.221 177.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm -114.77 -23.44 9.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.625 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 70.99 -40.86 0.49 Allowed 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.57 0.748 . . . . 0.0 110.773 -175.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 431' ' ' THR . . . . . . . . . . . . . 16.1 m -57.77 -44.28 86.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.634 0.73 . . . . 0.0 109.769 171.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -147.99 128.61 14.15 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 114.932 -1.031 . . . . 0.0 109.755 178.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -121.37 -51.01 0.25 Allowed Glycine 0 N--CA 1.449 -0.485 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 175.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 434' ' ' LYS . . . . . 0.472 ' HE2' ' HA ' ' A' ' 436' ' ' GLU . 21.9 ptmt -177.06 170.96 2.17 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 177.341 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -61.93 -35.04 77.23 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 176.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 436' ' ' GLU . . . . . 0.472 ' HA ' ' HE2' ' A' ' 434' ' ' LYS . 0.9 OUTLIER 70.26 -73.45 0.09 Allowed 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.012 -0.994 . . . . 0.0 111.385 172.479 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -154.84 -60.22 0.11 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.868 0.366 . . . . 0.0 110.622 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -137.08 114.41 10.89 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.198 -175.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -139.44 155.68 47.45 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.038 176.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 8.0 m -91.0 -18.52 24.49 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.064 0.459 . . . . 0.0 111.583 -171.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 16.3 m -86.31 156.54 20.19 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.524 -179.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . -73.04 73.36 1.05 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 121.001 -0.619 . . . . 0.0 112.3 176.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 11.4 m . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.513 -0.756 . . . . 0.0 110.012 178.431 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.678 0 N-CA-C 111.663 -0.575 . . . . 0.0 111.663 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 19.4 p -117.4 -76.77 0.57 Allowed 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 120.776 0.322 . . . . 0.0 110.602 179.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 36.0 mtmm -89.89 83.54 6.17 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.285 0.564 . . . . 0.0 111.067 -179.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 374' ' ' LYS . . . . . 0.407 ' HD3' ' HA ' ' A' ' 374' ' ' LYS . 25.4 mmtm -102.34 2.48 36.86 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.013 172.518 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 375' ' ' GLN . . . . . 0.526 ' HG2' HG23 ' A' ' 377' ' ' THR . 58.8 tt0 -143.37 91.0 2.22 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.951 -179.144 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -95.08 82.08 3.75 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.362 0.601 . . . . 0.0 109.581 178.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 377' ' ' THR . . . . . 0.526 HG23 ' HG2' ' A' ' 375' ' ' GLN . 3.1 p -85.1 89.26 7.58 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.793 -176.532 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 378' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.87 -35.95 77.52 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.028 0.442 . . . . 0.0 110.359 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 379' ' ' SER . . . . . 0.498 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 16.4 m -62.77 -44.49 96.05 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.645 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -71.4 -40.96 70.17 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.466 178.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -65.13 -50.05 67.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.452 -176.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 382' ' ' ASN . . . . . 0.504 ' O ' HG13 ' A' ' 386' ' ' ILE . 1.7 p30 -68.79 -33.85 74.57 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 121.004 -0.278 . . . . 0.0 110.514 -177.133 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 383' ' ' LYS . . . . . 0.61 ' HB3' HD22 ' A' ' 416' ' ' LEU . 13.0 mptt -68.56 -43.02 77.5 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 178.115 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 384' ' ' GLU . . . . . 0.48 ' HA ' ' HB2' ' A' ' 416' ' ' LEU . 25.5 tt0 -64.0 -38.95 92.95 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.77 177.527 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 58.6 tptt -59.39 -33.52 71.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.789 0.328 . . . . 0.0 110.653 176.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 386' ' ' ILE . . . . . 0.504 HG13 ' O ' ' A' ' 382' ' ' ASN . 83.2 mt -62.73 -44.96 99.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.458 0.647 . . . . 0.0 109.34 176.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 30.8 m -71.08 -38.46 72.42 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.803 -1.089 . . . . 0.0 111.127 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -67.93 -23.73 65.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.703 0.287 . . . . 0.0 110.945 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -72.78 -1.78 17.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.023 0.44 . . . . 0.0 111.096 176.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -101.92 3.86 39.5 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 176.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 391' ' ' LYS . . . . . 0.516 ' HG3' ' H ' ' A' ' 393' ' ' ASN . 4.5 ptpp? 44.15 -151.86 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 114.871 -1.058 . . . . 0.0 113.079 177.119 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 392' ' ' ASP . . . . . 0.653 ' HA ' ' HA ' ' A' ' 413' ' ' LYS . 5.2 p-10 -85.76 6.09 29.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.146 0.498 . . . . 0.0 110.097 178.344 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 393' ' ' ASN . . . . . 0.516 ' H ' ' HG3' ' A' ' 391' ' ' LYS . 19.1 t-20 -80.51 110.23 15.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.862 178.197 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -68.63 -34.06 75.09 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.634 -174.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -58.76 -45.32 90.01 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 177.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 396' ' ' ALA . . . . . 0.453 ' HA ' ' ND2' ' A' ' 399' ' ' ASN . . . -60.04 -44.68 94.5 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.298 176.422 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 9.5 t -59.55 -42.09 91.61 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.194 178.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 398' ' ' GLU . . . . . 0.739 ' HA ' ' HB2' ' A' ' 401' ' ' LYS . 49.3 mm-40 -61.76 -30.82 71.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.131 177.573 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 399' ' ' ASN . . . . . 0.453 ' ND2' ' HA ' ' A' ' 396' ' ' ALA . 89.9 m-20 -63.68 -37.13 86.17 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.033 0.444 . . . . 0.0 110.685 178.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.516 HD12 ' SG ' ' A' ' 405' ' ' CYS . 0.2 OUTLIER -114.44 21.58 14.46 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.344 0.592 . . . . 0.0 111.367 178.497 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . 0.739 ' HB2' ' HA ' ' A' ' 398' ' ' GLU . 20.9 tptm -58.51 -47.65 83.44 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.252 -0.886 . . . . 0.0 111.367 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.51 1.25 17.16 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.462 -175.497 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -97.97 6.21 47.95 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.753 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 113.56 -2.23 24.84 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.683 175.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 405' ' ' CYS . . . . . 0.516 ' SG ' HD12 ' A' ' 400' ' ' LEU . 66.7 m -94.34 140.87 29.24 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.853 0.358 . . . . 0.0 111.064 -177.286 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 8.1 p -132.98 149.37 31.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 178.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 407' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -81.83 133.93 35.37 Favored 'General case' 0 N--CA 1.441 -0.916 0 C-N-CA 120.379 -0.528 . . . . 0.0 110.277 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -98.68 107.18 19.56 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.191 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 14.6 p -82.56 -8.11 59.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.927 0.394 . . . . 0.0 111.561 -177.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -87.62 -51.09 6.09 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.895 -177.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 5.7 m -92.92 -16.02 25.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.745 179.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 12.1 t30 67.74 82.04 0.18 Allowed 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.014 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 413' ' ' LYS . . . . . 0.653 ' HA ' ' HA ' ' A' ' 392' ' ' ASP . 22.5 pttp 177.69 162.1 0.55 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.256 177.617 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 414' ' ' CYS . . . . . . . . . . . . . 40.3 t -83.1 132.18 35.11 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 172.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 62.2 tt0 -139.49 148.36 42.58 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.59 -173.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.61 HD22 ' HB3' ' A' ' 383' ' ' LYS . 25.7 tp -70.46 124.29 23.85 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 173.104 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 417' ' ' LYS . . . . . 0.543 ' HD2' HG21 ' A' ' 420' ' ' VAL . 44.8 pttt -74.12 81.49 1.77 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 122.534 1.159 . . . . 0.0 109.964 176.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . 0.525 ' O ' ' HB2' ' A' ' 422' ' ' GLU . 7.3 ptpt -65.58 -14.98 62.25 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 113.793 -1.549 . . . . 0.0 111.08 -176.309 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -70.52 -43.17 70.18 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.495 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 420' ' ' VAL . . . . . 0.543 HG21 ' HD2' ' A' ' 417' ' ' LYS . 58.5 t -69.94 -43.06 79.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.699 177.451 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -58.51 -42.61 88.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.299 177.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 422' ' ' GLU . . . . . 0.525 ' HB2' ' O ' ' A' ' 418' ' ' LYS . 4.0 tp10 -66.7 -34.64 78.31 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.85 -174.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 423' ' ' LYS . . . . . 0.602 ' O ' ' HE3' ' A' ' 429' ' ' LYS . 32.8 mtmm -71.16 -32.21 68.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.922 0.392 . . . . 0.0 111.032 179.354 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 95.3 mt -75.6 -42.93 50.56 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.097 0.475 . . . . 0.0 110.224 178.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -87.08 4.34 42.5 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.415 -0.812 . . . . 0.0 111.913 -179.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? -64.29 98.44 0.23 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 173.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 62.91 14.34 7.38 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.287 -170.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 5.5 t 43.52 67.17 0.69 Allowed 'General case' 0 C--N 1.341 0.197 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.825 -177.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 429' ' ' LYS . . . . . 0.602 ' HE3' ' O ' ' A' ' 423' ' ' LYS . 21.4 pttp -84.07 -24.3 30.45 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.844 -173.697 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -140.68 112.25 7.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.639 0.257 . . . . 0.0 111.143 -176.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 431' ' ' THR . . . . . . . . . . . . . 38.5 p -102.02 -17.56 16.02 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.545 174.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 64.99 -85.73 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.456 0.702 . . . . 0.0 112.264 177.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -72.75 83.07 0.59 Allowed Glycine 0 C--N 1.312 -0.755 0 CA-C-N 115.405 -0.816 . . . . 0.0 112.565 -177.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 55.7 tttp -104.88 98.8 8.47 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 178.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -81.61 66.44 7.18 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.456 -178.186 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -80.47 -73.0 0.38 Allowed 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 175.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -141.24 -11.3 0.95 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.109 171.203 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -80.84 14.08 2.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.941 -172.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -85.5 -14.26 46.52 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.148 -178.186 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 2.0 p -140.65 19.18 2.35 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.787 0.291 . . . . 0.0 111.787 -179.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 17.6 p -87.61 -26.48 23.04 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.919 0.39 . . . . 0.0 111.689 -178.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . -68.75 -35.56 80.41 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 121.033 -0.603 . . . . 0.0 112.61 -177.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 20.0 t . . . . . 0 C--O 1.246 0.878 0 CA-C-O 118.873 -0.584 . . . . 0.0 110.001 179.019 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.764 0 N-CA-C 111.701 -0.56 . . . . 0.0 111.701 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 8.8 t -88.83 56.5 3.76 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.93 0.395 . . . . 0.0 110.926 -176.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm 59.24 27.56 16.63 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.434 174.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 374' ' ' LYS . . . . . 0.453 ' HG2' ' H ' ' A' ' 376' ' ' GLN . 39.0 ttmt -84.06 111.46 19.33 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.116 0.484 . . . . 0.0 110.479 -179.27 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 375' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -91.09 25.81 2.35 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.41 -178.616 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 376' ' ' GLN . . . . . 0.453 ' H ' ' HG2' ' A' ' 374' ' ' LYS . 24.5 tt0 -135.09 102.68 5.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.356 -176.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 377' ' ' THR . . . . . . . . . . . . . 19.4 p -120.39 -76.68 0.58 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.99 0.424 . . . . 0.0 110.702 178.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 378' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -65.55 -34.61 78.66 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.269 179.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 379' ' ' SER . . . . . 0.447 ' HB2' ' HG3' ' A' ' 376' ' ' GLN . 18.2 m -53.0 -50.33 64.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.47 178.383 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -67.24 -44.3 79.79 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.321 178.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -59.24 -53.09 62.25 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.197 -173.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 382' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -80.65 -30.9 36.59 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.739 -0.385 . . . . 0.0 111.352 -172.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 383' ' ' LYS . . . . . 0.683 ' HB3' HD13 ' A' ' 416' ' ' LEU . 6.5 mptp? -68.84 -38.19 79.66 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 175.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 384' ' ' GLU . . . . . 0.407 ' HA ' ' HB2' ' A' ' 416' ' ' LEU . 40.0 tt0 -57.25 -42.44 81.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.267 -0.878 . . . . 0.0 109.908 173.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -60.74 -35.49 76.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.932 178.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 386' ' ' ILE . . . . . . . . . . . . . 83.6 mt -65.32 -45.0 94.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.331 0.586 . . . . 0.0 109.596 178.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 31.7 m -66.61 -37.91 85.86 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.316 177.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -66.64 -25.88 66.79 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.734 178.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -68.07 -19.47 64.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.233 176.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -89.8 -25.45 21.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.115 178.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt 57.77 -132.86 1.24 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.702 176.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 392' ' ' ASP . . . . . 0.563 ' HA ' ' HA ' ' A' ' 413' ' ' LYS . 6.8 m-20 -89.73 13.11 15.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.044 -176.262 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -94.24 106.13 18.11 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.007 0.432 . . . . 0.0 110.254 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -67.91 -37.74 82.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.235 -176.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . 0.958 ' HA ' ' HE2' ' A' ' 395' ' ' LYS . 6.7 mmpt? -54.69 -47.84 73.17 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 123.138 0.273 . . . . 0.0 111.057 177.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 396' ' ' ALA . . . . . 0.617 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -61.7 -42.31 98.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.839 0.352 . . . . 0.0 110.474 177.321 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . 0.48 ' HA ' HD11 ' A' ' 400' ' ' LEU . 25.9 t -60.55 -46.42 90.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.432 178.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -56.34 -35.81 68.04 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.978 177.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -70.8 -38.47 73.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.228 -179.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.617 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 1.3 pp -105.25 20.88 18.12 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.95 0.405 . . . . 0.0 111.43 -179.274 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -52.14 -38.46 57.62 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.759 173.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -62.57 -18.09 61.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.774 -179.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 403' ' ' LYS . . . . . 0.54 ' HD2' ' HB2' ' A' ' 400' ' ' LEU . 93.9 mttt -90.35 6.03 44.84 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.967 0.413 . . . . 0.0 110.805 -177.364 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 94.45 13.92 52.32 Favored Glycine 0 C--N 1.33 0.234 0 C-N-CA 120.936 -0.65 . . . . 0.0 113.133 174.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 405' ' ' CYS . . . . . 0.673 ' HB3' ' SG ' ' A' ' 414' ' ' CYS . 82.5 m -91.53 131.87 36.66 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.883 0.373 . . . . 0.0 110.857 -179.151 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 7.6 p -121.92 135.64 61.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.521 178.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 407' ' ' PHE . . . . . 0.403 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 22.9 t80 -90.46 126.93 36.06 Favored 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 177.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 408' ' ' ASN . . . . . 0.489 ' HB3' ' HB2' ' A' ' 411' ' ' SER . 4.5 t-20 -107.1 133.07 52.26 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 177.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 7.7 p -73.3 -28.16 61.95 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.564 0.221 . . . . 0.0 111.428 -179.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -76.12 -49.97 15.92 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 178.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . 0.489 ' HB2' ' HB3' ' A' ' 408' ' ' ASN . 49.3 m -62.38 -29.31 70.38 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.435 173.222 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 7.4 t30 71.72 9.44 6.27 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.188 178.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 413' ' ' LYS . . . . . 0.563 ' HA ' ' HA ' ' A' ' 392' ' ' ASP . 1.0 OUTLIER -139.4 170.82 15.24 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.501 -176.141 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 414' ' ' CYS . . . . . 0.673 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 42.6 t -94.74 124.55 38.85 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.922 177.03 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -132.51 166.97 20.84 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 178.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.683 HD13 ' HB3' ' A' ' 383' ' ' LYS . 44.6 tp -64.78 155.39 33.98 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 -178.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 417' ' ' LYS . . . . . 0.421 ' HD3' ' HG ' ' A' ' 416' ' ' LEU . 0.0 OUTLIER -72.51 25.78 0.05 Allowed 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 121.422 0.629 . . . . 0.0 110.799 177.837 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . 0.531 ' H ' ' C ' ' A' ' 416' ' ' LEU . 21.6 pttp -59.26 -29.72 67.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.129 175.255 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -82.6 -28.99 30.47 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.119 179.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 76.4 t -67.43 -46.82 82.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 173.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 18.7 ttmm -62.32 -38.57 89.93 Favored 'General case' 0 C--O 1.22 -0.48 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.377 173.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -59.82 -36.18 76.24 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 120.972 0.415 . . . . 0.0 110.38 179.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -91.62 -7.84 48.93 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.22 -178.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -99.8 -45.27 5.79 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.223 0.535 . . . . 0.0 109.742 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -80.3 -47.89 13.84 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.397 -179.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt 55.99 -87.68 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 113.129 0.789 . . . . 0.0 113.129 174.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -112.18 -62.96 1.49 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.756 -174.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 16.3 p -122.89 -92.78 0.53 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.567 175.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 429' ' ' LYS . . . . . 0.652 ' HA ' ' HE2' ' A' ' 429' ' ' LYS . 9.1 mmpt? 67.93 -49.29 0.53 Allowed 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.188 0.995 . . . . 0.0 112.549 173.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -65.81 -35.09 79.72 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.14 0.495 . . . . 0.0 110.587 -176.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 431' ' ' THR . . . . . . . . . . . . . 8.9 t -83.88 -2.03 55.64 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.573 -178.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -133.79 94.25 3.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.395 0.617 . . . . 0.0 111.049 -176.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -179.38 -159.29 23.18 Favored Glycine 0 N--CA 1.439 -1.137 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 434' ' ' LYS . . . . . 0.569 ' NZ ' ' HB2' ' A' ' 434' ' ' LYS . 0.1 OUTLIER -118.08 105.69 12.11 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 120.843 0.354 . . . . 0.0 110.909 -179.254 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -73.6 -18.16 61.09 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.146 178.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 436' ' ' GLU . . . . . 0.642 ' HA ' HG23 ' A' ' 441' ' ' THR . 49.7 mt-10 -63.43 -51.77 64.31 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.627 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 437' ' ' LYS . . . . . 0.407 ' HD3' ' HG2' ' A' ' 434' ' ' LYS . 5.1 mptp? -86.25 -25.49 25.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.279 -177.548 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -86.49 -75.93 0.37 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.627 0.251 . . . . 0.0 110.889 -179.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -67.04 -23.62 65.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.615 -177.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.517 ' HA ' ' O ' ' A' ' 436' ' ' GLU . 17.9 m 76.24 103.91 0.07 Allowed 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.127 176.731 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . 0.642 HG23 ' HA ' ' A' ' 436' ' ' GLU . 15.6 p -68.64 106.33 2.57 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.054 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . 156.49 -37.79 0.58 Allowed Glycine 0 N--CA 1.446 -0.686 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -178.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 28.3 m . . . . . 0 C--O 1.251 1.177 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 175.326 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.656 0 N-CA-C 111.847 -0.501 . . . . 0.0 111.847 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 14.0 m -80.94 -28.84 35.58 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.405 0.145 . . . . 0.0 111.389 -177.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 373' ' ' LYS . . . . . 0.458 ' HA ' ' HD3' ' A' ' 373' ' ' LYS . 11.9 mmtp 61.2 37.16 17.63 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.217 0.532 . . . . 0.0 111.604 -177.191 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 374' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -137.93 120.29 15.89 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.086 177.248 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 375' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -132.72 179.42 6.16 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.606 179.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -148.65 152.33 36.51 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.747 0.308 . . . . 0.0 110.881 178.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 377' ' ' THR . . . . . . . . . . . . . 8.6 m -97.2 82.48 3.18 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.283 -179.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 378' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 65.89 173.77 0.23 Allowed 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.207 173.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 379' ' ' SER . . . . . 0.621 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 4.3 m -45.38 -49.46 13.06 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 123.043 0.537 . . . . 0.0 112.146 177.362 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -49.85 -50.02 47.0 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -176.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -74.34 -52.01 13.45 Favored 'General case' 0 CA--C 1.517 -0.324 0 C-N-CA 120.172 -0.611 . . . . 0.0 110.437 -172.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 382' ' ' ASN . . . . . 0.534 ' ND2' ' HA ' ' A' ' 379' ' ' SER . 1.1 p30 -67.22 -25.28 66.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.827 -175.13 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 383' ' ' LYS . . . . . 0.731 ' HB3' HD22 ' A' ' 416' ' ' LEU . 3.2 tptm -67.26 -50.76 59.28 Favored 'General case' 0 CA--C 1.509 -0.633 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 179.092 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -64.59 -36.24 83.58 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.934 176.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 385' ' ' LYS . . . . . 0.533 ' HB3' ' HA ' ' A' ' 382' ' ' ASN . 56.8 tptt -61.8 -37.88 86.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.907 177.456 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 386' ' ' ILE . . . . . 0.408 HG13 ' O ' ' A' ' 382' ' ' ASN . 39.1 mt -66.64 -42.39 89.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.22 0.533 . . . . 0.0 109.94 179.109 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 27.8 m -64.44 -40.18 95.24 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.845 174.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.99 -15.26 62.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.357 179.442 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -72.82 -20.15 61.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.965 0.412 . . . . 0.0 110.412 174.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 390' ' ' ALA . . . . . 0.7 ' HB2' HD21 ' A' ' 400' ' ' LEU . . . -86.38 -16.29 37.76 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 175.45 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 94.9 mttt 58.31 -128.51 1.45 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 114.603 -1.18 . . . . 0.0 111.416 174.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -98.74 15.79 24.22 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.822 0.344 . . . . 0.0 111.163 -175.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -90.43 109.63 20.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.272 0.558 . . . . 0.0 110.342 176.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 394' ' ' GLN . . . . . 0.567 ' HA ' ' CD1' ' A' ' 407' ' ' PHE . 23.6 tt0 -63.77 -45.04 91.55 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.414 -176.656 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . 0.405 ' HD3' ' HA ' ' A' ' 395' ' ' LYS . 13.3 tppt? -69.82 -36.74 75.87 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.293 -175.556 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 396' ' ' ALA . . . . . 0.432 ' HA ' ' ND2' ' A' ' 399' ' ' ASN . . . -64.76 -35.02 79.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.243 0.544 . . . . 0.0 110.236 176.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 37.7 t -61.73 -45.92 91.86 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.141 177.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -62.53 -27.63 69.29 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.204 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 399' ' ' ASN . . . . . 0.432 ' ND2' ' HA ' ' A' ' 396' ' ' ALA . 82.5 m-20 -66.57 -45.4 79.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.988 0.423 . . . . 0.0 110.511 177.36 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.7 HD21 ' HB2' ' A' ' 390' ' ' ALA . 1.9 pp -102.09 16.38 26.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.726 -177.395 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' A' ' 405' ' ' CYS . 82.1 tttt -57.59 -17.74 15.92 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.712 177.558 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -55.89 -22.9 28.18 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.843 178.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 403' ' ' LYS . . . . . 0.461 ' HD2' ' N ' ' A' ' 403' ' ' LYS . 0.5 OUTLIER -90.93 2.53 56.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.759 0.314 . . . . 0.0 110.913 -179.704 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 404' ' ' GLY . . . . . 0.409 ' O ' HD12 ' A' ' 416' ' ' LEU . . . 99.7 24.93 9.54 Favored Glycine 0 C--O 1.236 0.243 0 N-CA-C 111.565 -0.614 . . . . 0.0 111.565 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 405' ' ' CYS . . . . . 0.552 ' HB3' ' SG ' ' A' ' 414' ' ' CYS . 80.0 m -98.72 118.87 36.44 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.028 0.442 . . . . 0.0 111.021 -170.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 406' ' ' VAL . . . . . 0.634 ' HB ' ' HB2' ' A' ' 418' ' ' LYS . 10.0 p -126.34 143.11 40.94 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 177.308 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 407' ' ' PHE . . . . . 0.567 ' CD1' ' HA ' ' A' ' 394' ' ' GLN . 22.7 t80 -68.09 123.79 21.65 Favored 'General case' 0 N--CA 1.439 -1.018 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.405 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -98.94 97.43 8.6 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.608 -0.723 . . . . 0.0 109.234 -177.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 1.2 p -61.45 -23.5 65.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.761 -176.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -55.06 -44.41 74.73 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.971 177.11 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 22.6 t -112.8 -6.9 13.81 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.826 -177.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 7.1 t30 61.01 58.24 2.33 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.66 -177.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 25.7 pttm -163.16 159.59 23.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.873 174.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 414' ' ' CYS . . . . . 0.552 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 51.9 t -79.54 127.05 31.66 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.519 0.2 . . . . 0.0 110.472 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -138.96 159.23 42.64 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 121.173 0.511 . . . . 0.0 111.32 -177.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.731 HD22 ' HB3' ' A' ' 383' ' ' LYS . 35.8 tp -73.87 82.63 1.67 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 174.337 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 417' ' ' LYS . . . . . 0.548 ' HB2' HG12 ' A' ' 406' ' ' VAL . 49.1 mmtt -127.75 -25.42 3.1 Favored 'General case' 0 CA--C 1.502 -0.873 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 -170.357 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . 0.634 ' HB2' ' HB ' ' A' ' 406' ' ' VAL . 12.2 tmtt? -56.51 -30.02 62.53 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.453 0.644 . . . . 0.0 109.295 -177.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -91.85 -48.53 6.73 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.664 -170.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 31.6 t -67.1 -37.71 79.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.311 179.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -67.59 -47.96 68.23 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.968 -178.002 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -62.66 -34.92 78.09 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.912 -177.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -62.66 -43.74 98.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.196 0.522 . . . . 0.0 110.417 179.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 54.4 tp -79.34 -26.72 42.09 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.421 179.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -75.0 -7.55 53.97 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.666 176.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 16.6 mtpt 74.68 46.0 0.16 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 114.576 -1.193 . . . . 0.0 111.567 173.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -86.69 57.99 4.81 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 106.665 -1.606 . . . . 0.0 106.665 166.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 17.3 m -49.14 102.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 113.283 -1.78 . . . . 0.0 111.539 -178.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 429' ' ' LYS . . . . . 0.482 ' HG3' ' HG3' ' A' ' 430' ' ' GLU . 7.3 ptpp? -106.78 -14.35 15.02 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.373 177.228 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . 0.482 ' HG3' ' HG3' ' A' ' 429' ' ' LYS . 31.6 mt-10 -119.19 105.75 11.68 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.449 177.49 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 431' ' ' THR . . . . . . . . . . . . . 22.9 m -63.0 -38.42 91.11 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.677 -179.084 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 57.27 77.33 0.28 Allowed 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.753 0.787 . . . . 0.0 110.589 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 173.89 -123.34 0.96 Allowed Glycine 0 N--CA 1.446 -0.694 0 CA-C-N 114.901 -1.045 . . . . 0.0 111.179 -178.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 90.8 mttt 60.84 21.87 11.98 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 121.206 0.527 . . . . 0.0 110.865 177.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 435' ' ' ASP . . . . . 0.49 ' HB2' HD22 ' A' ' 439' ' ' ASN . 9.5 p-10 -90.49 98.92 12.06 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.711 0.767 . . . . 0.0 112.318 -172.204 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -156.06 -46.81 0.08 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.507 172.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 54.5 tttm -44.33 -52.83 7.31 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.541 176.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -140.38 77.5 1.61 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.039 0.447 . . . . 0.0 110.755 176.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 439' ' ' ASN . . . . . 0.49 HD22 ' HB2' ' A' ' 435' ' ' ASP . 64.9 t30 -160.32 -57.93 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.623 176.186 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 5.2 p -72.44 -57.19 4.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.426 0.632 . . . . 0.0 109.647 174.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 27.8 m -108.1 142.47 38.24 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 172.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . -95.62 -26.09 12.47 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.569 -176.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 25.0 m . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.334 -0.841 . . . . 0.0 110.463 -179.323 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.739 0 N-CA-C 111.93 -0.468 . . . . 0.0 111.93 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 3.1 p -133.94 125.12 27.58 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.191 0.52 . . . . 0.0 111.385 -177.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 59.6 pttt -110.01 -17.9 13.49 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.851 174.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 374' ' ' LYS . . . . . . . . . . . . . 34.3 mmtm -73.14 101.72 3.39 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.347 172.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 375' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 -66.9 -24.26 66.08 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.045 -176.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 61.06 25.64 15.65 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 122.14 0.972 . . . . 0.0 109.641 -176.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 377' ' ' THR . . . . . . . . . . . . . 30.8 m -98.27 120.88 39.46 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 114.219 -1.355 . . . . 0.0 109.755 -179.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 378' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -56.89 -47.59 80.14 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 123.433 0.458 . . . . 0.0 111.347 -175.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 379' ' ' SER . . . . . 0.461 ' HA ' ' ND2' ' A' ' 382' ' ' ASN . 15.1 t -60.44 -44.22 96.03 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.099 -177.207 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -69.08 -44.18 73.05 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.013 0.435 . . . . 0.0 111.335 -177.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -80.81 -31.67 35.53 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.183 -0.462 . . . . 0.0 112.219 -173.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 382' ' ' ASN . . . . . 0.461 ' ND2' ' HA ' ' A' ' 379' ' ' SER . 0.5 OUTLIER -75.29 -24.83 57.58 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.377 -0.529 . . . . 0.0 109.603 177.391 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 383' ' ' LYS . . . . . 0.494 ' HB3' HD22 ' A' ' 416' ' ' LEU . 0.1 OUTLIER -64.63 -48.41 74.96 Favored 'General case' 0 CA--C 1.514 -0.416 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 175.6 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -52.56 -49.96 63.9 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.292 174.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -56.64 -43.81 80.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.157 -179.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 386' ' ' ILE . . . . . 0.449 HG22 HD13 ' A' ' 400' ' ' LEU . 68.3 mt -67.49 -45.79 84.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.117 0.484 . . . . 0.0 110.122 -179.664 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 72.9 m -62.64 -37.49 86.57 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.134 179.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -80.08 -24.4 40.64 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.634 -178.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -73.39 -8.82 57.48 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.996 0.427 . . . . 0.0 110.856 175.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 390' ' ' ALA . . . . . 0.493 ' HB2' HD12 ' A' ' 400' ' ' LEU . . . -86.25 -20.98 27.67 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 177.123 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp 61.57 -151.94 0.38 Allowed 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.565 173.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -88.86 10.32 21.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.425 0.631 . . . . 0.0 109.89 176.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -84.22 97.65 9.51 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 177.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 394' ' ' GLN . . . . . 0.462 ' O ' ' HG2' ' A' ' 398' ' ' GLU . 50.0 tt0 -57.39 -40.38 78.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.629 -174.537 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -49.96 -49.78 49.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.829 0.347 . . . . 0.0 111.074 178.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -64.02 -39.78 94.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.966 0.412 . . . . 0.0 110.589 179.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 18.7 t -63.82 -43.08 97.3 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.397 179.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 398' ' ' GLU . . . . . 0.462 ' HG2' ' O ' ' A' ' 394' ' ' GLN . 17.0 mm-40 -58.28 -34.14 70.2 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.028 178.092 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 18.8 m-80 -71.0 -34.05 71.0 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.172 178.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.493 HD12 ' HB2' ' A' ' 390' ' ' ALA . 30.2 mt -103.65 10.73 36.71 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.627 -177.03 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . 0.544 ' HA ' ' O ' ' A' ' 405' ' ' CYS . 16.7 tptm -50.12 -53.96 23.87 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.952 -1.022 . . . . 0.0 112.35 -175.304 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -80.72 10.47 4.86 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.953 0.406 . . . . 0.0 112.03 -173.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 61.2 mttm -92.32 -5.88 51.36 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.224 0.535 . . . . 0.0 109.592 171.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 404' ' ' GLY . . . . . 0.549 ' HA2' ' HB3' ' A' ' 418' ' ' LYS . . . 115.24 -5.93 21.51 Favored Glycine 0 N--CA 1.445 -0.754 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 -178.388 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 405' ' ' CYS . . . . . 0.567 ' HB3' ' SG ' ' A' ' 414' ' ' CYS . 56.8 m -82.8 111.71 18.96 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.122 -0.539 . . . . 0.0 110.316 -178.178 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 406' ' ' VAL . . . . . 0.631 ' CG1' ' HB3' ' A' ' 417' ' ' LYS . 7.2 p -122.2 134.15 66.32 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.696 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 407' ' ' PHE . . . . . 0.402 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 11.9 t80 -72.74 123.36 23.15 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.114 -179.641 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 408' ' ' ASN . . . . . 0.411 ' OD1' ' HG2' ' A' ' 410' ' ' GLU . 46.6 t30 -104.39 112.59 25.69 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.653 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 11.4 p -70.26 -22.4 62.88 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.526 -176.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 410' ' ' GLU . . . . . 0.411 ' HG2' ' OD1' ' A' ' 408' ' ' ASN . 5.1 mm-40 -69.26 -36.94 77.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.949 -175.584 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 23.2 m -110.72 1.56 17.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.846 179.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 10.6 t30 50.04 73.7 0.25 Allowed 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.231 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -173.86 165.39 4.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.695 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 414' ' ' CYS . . . . . 0.567 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 37.9 t -90.92 131.14 36.72 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 170.315 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -138.44 150.81 46.86 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.714 0.292 . . . . 0.0 110.495 -175.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.494 HD22 ' HB3' ' A' ' 383' ' ' LYS . 50.4 tp -74.19 87.37 1.93 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 173.326 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 417' ' ' LYS . . . . . 0.631 ' HB3' ' CG1' ' A' ' 406' ' ' VAL . 2.0 tmtp? -130.89 -8.29 3.95 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.265 -173.383 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . 0.55 ' HE2' ' O ' ' A' ' 418' ' ' LYS . 0.1 OUTLIER -60.51 -34.74 74.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.657 0.741 . . . . 0.0 109.94 177.734 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -81.08 -40.62 23.84 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 115.241 -0.891 . . . . 0.0 109.99 -177.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 54.7 t -61.33 -47.44 93.44 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.115 177.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . 0.618 ' O ' ' HG2' ' A' ' 425' ' ' GLU . 60.0 tttm -60.64 -42.62 97.3 Favored 'General case' 0 C--O 1.208 -1.102 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.672 177.216 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -54.29 -43.07 70.75 Favored 'General case' 0 C--O 1.244 0.79 0 O-C-N 123.642 0.589 . . . . 0.0 110.921 -179.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 50.4 mmtm -56.69 -42.84 79.8 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.429 177.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 48.3 tp -81.29 -30.57 33.93 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.402 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 425' ' ' GLU . . . . . 0.618 ' HG2' ' O ' ' A' ' 421' ' ' LYS . 13.9 mm-40 -48.8 -69.69 0.11 Allowed 'General case' 0 C--O 1.234 0.28 0 C-N-CA 123.182 0.593 . . . . 0.0 110.94 -179.099 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 426' ' ' LYS . . . . . 0.859 ' HE3' ' HA ' ' A' ' 426' ' ' LYS . 0.0 OUTLIER 55.85 27.94 11.71 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.525 179.277 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -91.3 -18.08 24.91 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.006 0.431 . . . . 0.0 110.144 -175.062 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 7.4 t -57.17 -39.92 76.29 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.409 -174.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -94.34 -15.52 24.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.842 0.353 . . . . 0.0 110.892 177.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -70.02 -57.42 5.01 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.021 178.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 431' ' ' THR . . . . . . . . . . . . . 8.3 m 59.38 76.36 0.36 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.953 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -118.3 130.63 56.14 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.916 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -83.6 116.14 4.18 Favored Glycine 0 N--CA 1.443 -0.856 0 CA-C-N 115.944 -0.571 . . . . 0.0 113.211 -172.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -110.01 -73.35 0.69 Allowed 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.116 -0.542 . . . . 0.0 109.964 175.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -137.1 67.52 1.44 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.439 -178.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 436' ' ' GLU . . . . . 0.466 ' H ' ' ND2' ' A' ' 439' ' ' ASN . 16.6 mp0 -86.14 116.29 24.24 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 178.519 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp 72.25 -55.97 0.66 Allowed 'General case' 0 N--CA 1.467 0.408 0 O-C-N 123.881 0.738 . . . . 0.0 110.884 179.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -151.59 -74.02 0.15 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.62 -0.263 . . . . 0.0 111.163 177.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 439' ' ' ASN . . . . . 0.466 ' ND2' ' H ' ' A' ' 436' ' ' GLU . 94.8 m-20 60.62 -177.93 0.1 Allowed 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.278 0.631 . . . . 0.0 111.858 -174.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 27.8 m 53.27 55.19 9.1 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 121.821 0.82 . . . . 0.0 109.545 -171.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 33.5 m -66.0 -37.28 85.53 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.756 -178.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . -110.62 118.93 5.12 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.851 -0.69 . . . . 0.0 111.777 177.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 9.0 t . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.232 -0.89 . . . . 0.0 109.415 179.101 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.738 0 N-CA-C 112.061 -0.416 . . . . 0.0 112.061 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 50.7 m 68.32 -178.49 0.22 Allowed 'General case' 0 C--O 1.234 0.267 0 C-N-CA 122.663 0.385 . . . . 0.0 110.966 -179.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -127.86 100.98 6.14 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.95 0.405 . . . . 0.0 111.128 -179.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 374' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -96.59 -17.86 20.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.274 0.559 . . . . 0.0 109.859 175.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 375' ' ' GLN . . . . . . . . . . . . . 1.1 pm0 -115.11 133.96 55.58 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.884 -176.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -120.61 86.08 2.51 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 172.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 377' ' ' THR . . . . . . . . . . . . . 18.0 p -97.91 -2.18 41.25 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.232 -177.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 378' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -44.21 -56.77 3.86 Favored 'General case' 0 N--CA 1.465 0.305 0 O-C-N 123.857 0.723 . . . . 0.0 111.775 -178.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 379' ' ' SER . . . . . 0.672 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 24.6 m -66.11 -39.39 89.91 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.526 -175.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -73.41 -41.37 63.38 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.958 0.408 . . . . 0.0 111.572 -176.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -73.11 -46.77 49.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.058 -175.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 382' ' ' ASN . . . . . 0.549 ' O ' HG13 ' A' ' 386' ' ' ILE . 0.3 OUTLIER -68.95 -27.12 65.44 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.284 179.871 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 383' ' ' LYS . . . . . 0.672 ' HB2' ' O ' ' A' ' 379' ' ' SER . 2.2 tptm -66.63 -47.92 71.06 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 179.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -56.89 -37.34 71.26 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.215 175.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 23.9 tptp -70.99 -32.73 69.65 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.841 -179.165 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 386' ' ' ILE . . . . . 0.549 HG13 ' O ' ' A' ' 382' ' ' ASN . 79.0 mt -62.08 -42.29 94.45 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.285 0 CA-C-O 121.504 0.668 . . . . 0.0 109.252 176.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 14.6 m -69.46 -43.41 73.32 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 114.833 -1.076 . . . . 0.0 110.189 178.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -70.79 -14.52 62.45 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.489 -178.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -69.34 -22.97 63.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.911 0.386 . . . . 0.0 110.513 173.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 390' ' ' ALA . . . . . 0.694 ' HB2' HD21 ' A' ' 400' ' ' LEU . . . -87.76 -13.63 41.83 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 175.639 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? 63.68 -97.01 0.06 Allowed 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 114.397 -1.274 . . . . 0.0 111.983 173.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -137.12 21.86 3.01 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.205 0.526 . . . . 0.0 110.102 -177.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -88.43 104.45 16.8 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.996 174.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 394' ' ' GLN . . . . . 0.516 ' O ' ' HG2' ' A' ' 398' ' ' GLU . 35.0 tt0 -57.88 -46.46 84.85 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.265 -179.389 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -61.45 -44.76 96.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.794 -176.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 396' ' ' ALA . . . . . 0.577 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -65.99 -36.83 84.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.52 178.626 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 26.5 t -65.43 -44.83 86.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.607 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 398' ' ' GLU . . . . . 0.516 ' HG2' ' O ' ' A' ' 394' ' ' GLN . 30.4 mm-40 -53.94 -39.23 65.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.643 176.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -64.49 -52.6 57.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.464 179.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.694 HD21 ' HB2' ' A' ' 390' ' ' ALA . 2.1 pp -90.85 14.54 13.37 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.804 0.335 . . . . 0.0 111.842 -175.574 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' A' ' 405' ' ' CYS . 38.9 ttmt -62.47 -19.68 63.78 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.273 0.559 . . . . 0.0 110.486 176.083 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -56.07 -26.24 48.51 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.86 176.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 403' ' ' LYS . . . . . 0.49 ' HD2' ' N ' ' A' ' 403' ' ' LYS . 0.1 OUTLIER -90.5 8.86 31.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.533 -178.462 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 404' ' ' GLY . . . . . 0.448 ' O ' HD12 ' A' ' 416' ' ' LEU . . . 89.79 36.34 7.35 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 121.133 -0.556 . . . . 0.0 112.143 178.484 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 405' ' ' CYS . . . . . 0.422 ' O ' ' HG3' ' A' ' 401' ' ' LYS . 91.7 m -115.76 111.1 20.04 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.052 0.453 . . . . 0.0 110.765 -174.312 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 406' ' ' VAL . . . . . 0.496 ' HB ' ' HD3' ' A' ' 417' ' ' LYS . 14.6 p -110.35 142.36 23.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 -179.104 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 407' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -71.79 117.4 13.33 Favored 'General case' 0 N--CA 1.436 -1.144 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 174.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -99.69 91.62 4.95 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 114.939 -1.028 . . . . 0.0 109.255 -170.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 12.0 p -67.76 -9.61 45.46 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -172.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -59.01 -38.26 78.83 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.189 0.519 . . . . 0.0 109.955 174.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 5.8 p -123.65 -0.82 8.56 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.896 179.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 4.8 t30 60.45 57.81 2.71 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.139 178.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -141.55 168.78 18.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.423 176.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 414' ' ' CYS . . . . . . . . . . . . . 42.0 t -92.38 119.39 31.88 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 167.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -143.96 174.82 10.51 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.226 -174.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.448 HD12 ' O ' ' A' ' 404' ' ' GLY . 37.6 tp -66.78 144.26 56.43 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.929 0.395 . . . . 0.0 110.798 -174.38 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 417' ' ' LYS . . . . . 0.496 ' HD3' ' HB ' ' A' ' 406' ' ' VAL . 20.9 tptp -67.83 79.61 0.2 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.048 175.072 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 23.6 mtmm -64.49 -22.24 66.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.574 -178.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 419' ' ' ASP . . . . . 0.637 ' O ' ' HG2' ' A' ' 423' ' ' LYS . 1.2 t70 -56.31 -54.89 40.11 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.998 173.576 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 420' ' ' VAL . . . . . 0.453 HG23 ' HG2' ' A' ' 417' ' ' LYS . 86.2 t -61.86 -38.9 81.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.762 0.315 . . . . 0.0 110.535 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . 0.412 ' C ' ' HD3' ' A' ' 421' ' ' LYS . 0.8 OUTLIER -55.78 -43.83 77.16 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 174.922 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 422' ' ' GLU . . . . . 0.437 ' O ' ' HA ' ' A' ' 426' ' ' LYS . 13.4 tp10 -76.59 -18.03 58.87 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.243 -0.889 . . . . 0.0 111.068 -176.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 423' ' ' LYS . . . . . 0.637 ' HG2' ' O ' ' A' ' 419' ' ' ASP . 11.5 mmpt? -81.49 -40.91 22.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.409 0.623 . . . . 0.0 109.717 175.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 8.6 tt -66.51 -51.42 56.81 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.948 -1.024 . . . . 0.0 110.316 -178.1 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -79.76 -48.5 13.5 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.046 0.451 . . . . 0.0 109.878 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 426' ' ' LYS . . . . . 0.582 ' HD2' ' HD3' ' A' ' 429' ' ' LYS . 34.7 ttpt 57.86 74.02 0.44 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.933 -176.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -107.14 -39.77 5.62 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.718 -1.128 . . . . 0.0 109.986 -178.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 25.2 m -144.75 96.06 2.8 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.506 179.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 429' ' ' LYS . . . . . 0.582 ' HD3' ' HD2' ' A' ' 426' ' ' LYS . 36.0 mtmm -79.67 -51.81 8.77 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.704 -179.713 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -179.12 -82.35 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.154 -173.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 431' ' ' THR . . . . . . . . . . . . . 94.7 m -169.55 103.04 0.34 Allowed 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 106.584 -1.635 . . . . 0.0 106.584 -177.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -39.29 121.28 1.13 Allowed 'General case' 0 N--CA 1.468 0.433 0 O-C-N 124.151 0.907 . . . . 0.0 111.402 -175.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -96.46 112.43 4.44 Favored Glycine 0 N--CA 1.439 -1.129 0 CA-C-N 115.669 -0.696 . . . . 0.0 112.795 -169.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 434' ' ' LYS . . . . . 0.486 ' NZ ' ' HB2' ' A' ' 434' ' ' LYS . 5.1 ttmp? -80.85 81.55 7.07 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 174.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 435' ' ' ASP . . . . . 0.701 ' HB2' ' HB3' ' A' ' 439' ' ' ASN . 9.6 m-20 -76.46 -4.82 44.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.318 -175.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 436' ' ' GLU . . . . . 0.421 ' HB3' ' O ' ' A' ' 435' ' ' ASP . 9.2 tp10 69.85 -74.84 0.08 Allowed 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.614 0.571 . . . . 0.0 111.144 177.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -94.84 111.9 23.66 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.32 -176.158 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . 64.84 44.5 3.61 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.918 177.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 439' ' ' ASN . . . . . 0.701 ' HB3' ' HB2' ' A' ' 435' ' ' ASP . 20.2 p-10 -83.87 -61.76 1.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.129 175.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 17.4 m 49.27 76.24 0.13 Allowed 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 121.512 0.672 . . . . 0.0 111.327 -179.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . 0.557 HG22 ' H ' ' A' ' 443' ' ' SER . 29.7 m -80.46 120.51 24.56 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.908 -177.381 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . -106.17 33.81 6.2 Favored Glycine 0 N--CA 1.449 -0.498 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 177.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 443' ' ' SER . . . . . 0.557 ' H ' HG22 ' A' ' 441' ' ' THR . 67.6 m . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.617 -0.706 . . . . 0.0 111.031 -178.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.751 0 N-CA-C 112.081 -0.407 . . . . 0.0 112.081 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 19.2 m 66.74 177.94 0.23 Allowed 'General case' 0 C--O 1.234 0.239 0 C-N-CA 122.829 0.452 . . . . 0.0 110.752 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -101.2 -4.68 26.75 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.348 0.594 . . . . 0.0 110.12 176.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 374' ' ' LYS . . . . . 0.708 ' HB3' ' HB ' ' A' ' 377' ' ' THR . 12.0 mptt -97.48 88.83 4.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.086 174.436 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 375' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -97.73 -62.45 1.25 Allowed 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 179.145 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -63.48 -26.34 68.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.975 178.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 377' ' ' THR . . . . . 0.708 ' HB ' ' HB3' ' A' ' 374' ' ' LYS . 18.3 m -65.17 -42.69 93.42 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.783 178.466 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 378' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -63.2 -49.54 73.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.027 0.441 . . . . 0.0 110.109 178.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 379' ' ' SER . . . . . 0.638 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 40.8 m -60.76 -41.99 96.53 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.005 -179.476 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -68.95 -43.38 75.14 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.448 179.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -68.02 -51.33 48.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.683 -0.235 . . . . 0.0 111.305 -175.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 382' ' ' ASN . . . . . 0.613 ' O ' HG13 ' A' ' 386' ' ' ILE . 1.5 p30 -66.29 -33.52 75.92 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.313 -176.467 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 383' ' ' LYS . . . . . 0.794 ' HE3' ' HB3' ' A' ' 403' ' ' LYS . 12.9 mptt -66.85 -46.72 74.18 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 179.357 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -57.17 -47.11 82.04 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.003 -0.998 . . . . 0.0 109.817 174.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 385' ' ' LYS . . . . . 0.435 ' HD2' ' HA ' ' A' ' 385' ' ' LYS . 37.7 tptt -63.17 -30.54 71.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.486 -177.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 386' ' ' ILE . . . . . 0.613 HG13 ' O ' ' A' ' 382' ' ' ASN . 88.2 mt -67.18 -39.37 82.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.263 0.554 . . . . 0.0 109.8 178.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 61.8 m -69.91 -38.44 76.29 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.346 176.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -67.95 -25.4 65.44 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.628 178.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -72.19 -30.02 64.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.048 176.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -82.23 -38.17 24.91 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.362 -179.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 59.3 mttm 70.36 -93.87 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.782 -1.099 . . . . 0.0 112.248 173.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -112.77 10.31 19.2 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -173.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -88.66 85.17 6.75 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.023 179.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -55.4 -43.12 74.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.503 -0.772 . . . . 0.0 111.389 -177.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -53.89 -52.82 59.28 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.169 -178.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 396' ' ' ALA . . . . . 0.669 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -70.87 -29.65 65.81 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.707 0.289 . . . . 0.0 111.043 -174.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . 0.6 ' HA ' HD11 ' A' ' 400' ' ' LEU . 77.8 m -72.84 -39.87 66.2 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.097 0.475 . . . . 0.0 111.031 -179.663 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 398' ' ' GLU . . . . . 0.429 ' HA ' ' HB2' ' A' ' 401' ' ' LYS . 37.5 mm-40 -73.44 -11.56 60.51 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.949 0.404 . . . . 0.0 110.121 174.698 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 399' ' ' ASN . . . . . 0.465 ' HB2' ' O ' ' A' ' 396' ' ' ALA . 1.1 m-80 -77.47 -55.13 5.64 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.946 0.403 . . . . 0.0 110.293 170.293 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.669 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 1.4 pp -81.26 11.55 4.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.149 0.5 . . . . 0.0 110.857 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . 0.629 ' HG3' ' O ' ' A' ' 405' ' ' CYS . 29.4 tttp -56.28 -23.61 37.63 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.458 171.267 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -53.83 -32.67 53.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.394 173.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 403' ' ' LYS . . . . . 0.794 ' HB3' ' HE3' ' A' ' 383' ' ' LYS . 92.7 mttt -87.72 -0.82 57.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.053 -177.662 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 93.38 58.03 1.32 Allowed Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.991 -0.623 . . . . 0.0 112.619 179.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 405' ' ' CYS . . . . . 0.629 ' O ' ' HG3' ' A' ' 401' ' ' LYS . 36.8 t -127.27 156.09 42.47 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 -178.656 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 7.6 p -144.93 128.3 11.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 120.96 0.41 . . . . 0.0 111.081 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 407' ' ' PHE . . . . . 0.697 ' HD2' ' SG ' ' A' ' 414' ' ' CYS . 43.0 t80 -83.48 125.39 31.68 Favored 'General case' 0 N--CA 1.438 -1.067 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 171.56 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -102.14 106.31 17.15 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 178.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 2.7 p -66.11 -20.9 66.3 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.919 -175.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -65.18 -50.64 65.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.125 0.488 . . . . 0.0 110.007 177.146 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 12.9 m -85.39 -15.26 43.7 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.222 0.534 . . . . 0.0 110.23 178.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 3.8 t30 61.67 41.39 12.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.515 -178.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -152.3 155.73 38.25 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.366 175.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 414' ' ' CYS . . . . . 0.697 ' SG ' ' HD2' ' A' ' 407' ' ' PHE . 8.9 m -82.03 141.99 32.74 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.535 177.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -141.62 168.48 19.67 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 178.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.702 HD13 ' HB3' ' A' ' 383' ' ' LYS . 29.5 tp -64.37 138.14 58.27 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.19 0.519 . . . . 0.0 110.415 176.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -75.15 -4.09 36.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.171 -174.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . 0.606 ' H ' ' HG ' ' A' ' 416' ' ' LEU . 5.6 tppp? -48.66 -46.41 40.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.428 174.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -56.37 -46.47 80.03 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 113.846 -1.524 . . . . 0.0 110.897 -174.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 71.1 t -64.18 -45.67 95.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.89 -179.066 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -72.68 -39.95 66.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.671 -174.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -70.48 -24.05 62.79 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.114 -175.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 41.1 mtmt -98.72 -6.91 28.6 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.386 174.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -75.68 -51.12 13.47 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 171.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -82.85 -21.47 34.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.851 175.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 54.0 mttp 71.81 80.39 0.15 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.19 -0.914 . . . . 0.0 112.732 171.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 428' ' ' SER . 3.1 pt-20 -108.27 -36.78 6.18 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.96 171.136 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 428' ' ' SER . . . . . 0.449 ' N ' ' HG3' ' A' ' 427' ' ' GLU . 50.0 m -129.66 44.79 2.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.175 -174.273 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 15.2 ptmm? -76.18 -21.86 56.02 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.189 178.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 70.0 139.85 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.132 -0.94 . . . . 0.0 112.452 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 431' ' ' THR . . . . . . . . . . . . . 25.1 m -152.17 -57.13 0.14 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.142 175.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 56.88 92.61 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.715 0.635 . . . . 0.0 111.229 -178.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 87.64 66.94 1.32 Allowed Glycine 0 N--CA 1.441 -0.999 0 N-CA-C 110.718 -0.953 . . . . 0.0 110.718 -174.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.03 -0.01 33.68 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.662 0.268 . . . . 0.0 110.62 -178.466 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 16.3 t70 67.38 16.55 10.06 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.404 175.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 57.85 -90.17 0.03 OUTLIER 'General case' 0 C--N 1.334 -0.088 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.974 -174.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm -152.16 -48.01 0.11 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.851 0.357 . . . . 0.0 110.401 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -117.58 -44.65 2.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.854 -177.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 45.9 t-20 65.79 99.09 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.209 -178.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 6.1 t -159.28 133.84 7.89 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.817 -0.628 . . . . 0.0 109.9 177.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 7.1 m -82.79 119.87 24.9 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 -179.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . -131.76 68.9 0.54 Allowed Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.902 -0.666 . . . . 0.0 111.89 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.712 -0.661 . . . . 0.0 109.88 179.072 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.81 0 N-CA-C 111.405 -0.678 . . . . 0.0 111.405 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 372' ' ' SER . . . . . 0.817 ' HB2' ' HB2' ' A' ' 378' ' ' GLU . 15.1 m 50.77 44.69 27.8 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 171.591 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 46.4 mtpt -67.62 -23.25 65.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.58 0.228 . . . . 0.0 111.449 -177.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 374' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -89.83 -1.05 57.9 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.945 0.403 . . . . 0.0 110.767 178.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 375' ' ' GLN . . . . . 0.43 HE21 ' HB3' ' A' ' 372' ' ' SER . 24.9 mt-30 -109.96 -37.67 5.54 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 175.657 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 64.89 12.49 7.83 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.936 175.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 377' ' ' THR . . . . . . . . . . . . . 15.1 t -97.4 -10.59 25.2 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.583 0.706 . . . . 0.0 109.818 177.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 378' ' ' GLU . . . . . 0.817 ' HB2' ' HB2' ' A' ' 372' ' ' SER . 9.1 tp10 -54.49 -60.24 3.62 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 114.783 -1.099 . . . . 0.0 111.792 -177.463 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 3.5 p -58.4 -54.52 46.03 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.226 -0.897 . . . . 0.0 112.296 -172.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -59.77 -44.48 93.86 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -175.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -70.73 -54.0 13.42 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.742 -174.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 382' ' ' ASN . . . . . 0.401 ' O ' HG13 ' A' ' 386' ' ' ILE . 1.1 p30 -67.99 -36.11 79.46 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 121.055 -0.258 . . . . 0.0 111.483 -173.167 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 383' ' ' LYS . . . . . 0.474 ' HB3' HD13 ' A' ' 416' ' ' LEU . 2.6 mptm? -65.64 -49.27 69.28 Favored 'General case' 0 CA--C 1.519 -0.232 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.246 179.442 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 384' ' ' GLU . . . . . 0.457 ' CG ' ' HB3' ' A' ' 416' ' ' LEU . 24.7 mt-10 -60.55 -36.21 77.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.279 179.644 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -63.22 -41.02 99.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.77 0.319 . . . . 0.0 110.954 176.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 386' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 382' ' ' ASN . 96.2 mt -68.61 -40.74 82.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.079 0.466 . . . . 0.0 109.867 -179.601 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 60.5 m -67.15 -40.49 86.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.511 176.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 388' ' ' ASN . . . . . 0.6 ' O ' ' HG3' ' A' ' 391' ' ' LYS . 1.3 m-80 -79.88 -10.27 59.76 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 122.314 -0.241 . . . . 0.0 111.302 -179.282 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -70.14 -20.2 63.17 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.067 0.461 . . . . 0.0 109.977 172.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -99.0 -43.86 6.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.554 176.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 391' ' ' LYS . . . . . 0.6 ' HG3' ' O ' ' A' ' 388' ' ' ASN . 8.6 mtmp? 57.37 -92.67 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.634 -179.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -83.0 -21.32 33.93 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 123.47 0.481 . . . . 0.0 111.29 -171.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 -79.29 104.71 10.1 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.23 0.538 . . . . 0.0 110.097 -178.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 394' ' ' GLN . . . . . 0.458 ' O ' ' HG2' ' A' ' 398' ' ' GLU . 35.7 tt0 -76.52 -50.01 15.05 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.399 -0.818 . . . . 0.0 110.516 -177.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -58.2 -47.71 82.6 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.267 -174.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 396' ' ' ALA . . . . . 0.441 ' HA ' ' ND2' ' A' ' 399' ' ' ASN . . . -64.69 -33.2 75.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.932 -178.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . 0.572 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 1.8 t -75.59 -36.59 60.29 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.664 -0.415 . . . . 0.0 110.308 -179.057 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 398' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 394' ' ' GLN . 16.7 mm-40 -64.1 -22.51 66.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.756 0.313 . . . . 0.0 110.674 175.615 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 399' ' ' ASN . . . . . 0.441 ' ND2' ' HA ' ' A' ' 396' ' ' ALA . 85.7 m-20 -71.18 -49.31 45.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.99 0.424 . . . . 0.0 110.407 174.131 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.403 HD11 ' HA ' ' A' ' 397' ' ' CYS . 2.3 pp -90.45 13.55 15.34 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.374 0.607 . . . . 0.0 110.528 -178.162 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . 0.737 ' HG3' ' O ' ' A' ' 405' ' ' CYS . 33.4 tttp -54.08 -21.19 7.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.793 -1.094 . . . . 0.0 112.408 179.639 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -52.56 -35.27 53.43 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 123.632 0.582 . . . . 0.0 111.444 -177.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -78.0 -23.29 48.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.3 -175.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 404' ' ' GLY . . . . . 0.656 ' HA2' ' HD3' ' A' ' 418' ' ' LYS . . . 128.88 48.34 0.15 Allowed Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.338 -0.934 . . . . 0.0 112.951 177.283 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 405' ' ' CYS . . . . . 0.737 ' O ' ' HG3' ' A' ' 401' ' ' LYS . 60.5 m -116.52 112.02 20.78 Favored 'General case' 0 C--N 1.32 -0.68 0 O-C-N 122.52 -0.4 . . . . 0.0 111.421 -175.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 406' ' ' VAL . . . . . 0.539 ' HB ' ' HB3' ' A' ' 418' ' ' LYS . 7.5 p -115.74 114.54 46.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 174.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 407' ' ' PHE . . . . . 0.838 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 21.4 t80 -62.89 122.37 15.82 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.054 178.364 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -104.01 117.19 33.7 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.076 -179.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 12.0 p -62.11 -27.99 69.31 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.514 -179.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -72.87 -48.26 38.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.048 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 26.6 m -75.98 -17.12 59.84 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.717 -0.22 . . . . 0.0 110.629 178.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 10.5 t30 70.36 4.24 4.82 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.694 0.759 . . . . 0.0 110.541 -179.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -126.94 162.7 25.33 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.109 -179.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 414' ' ' CYS . . . . . 0.838 ' HA ' ' HA ' ' A' ' 407' ' ' PHE . 22.6 t -76.92 131.74 38.71 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.367 173.486 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -128.38 140.12 52.02 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.849 0.357 . . . . 0.0 111.547 -169.173 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.474 HD13 ' HB3' ' A' ' 383' ' ' LYS . 15.8 tp -71.2 96.75 1.43 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 170.025 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 417' ' ' LYS . . . . . 0.534 ' HB3' ' CG1' ' A' ' 406' ' ' VAL . 0.0 OUTLIER -152.27 -15.19 0.18 Allowed 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 120.457 -0.497 . . . . 0.0 111.984 -176.28 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . 0.656 ' HD3' ' HA2' ' A' ' 404' ' ' GLY . 4.2 ptmm? -63.23 -28.04 69.76 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.306 0.574 . . . . 0.0 110.461 -179.236 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -68.61 -45.88 70.77 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.8 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 44.2 t -67.34 -40.03 83.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.006 177.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -59.14 -53.47 58.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.998 178.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -62.78 -43.24 99.31 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.064 0.459 . . . . 0.0 110.302 -179.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 50.6 tttp -56.45 -53.54 56.18 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.867 179.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 10.4 tt -69.86 -38.8 76.54 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.183 -175.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -67.55 -35.57 79.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.86 0.362 . . . . 0.0 110.815 -178.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -88.23 -91.73 0.12 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.339 179.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 58.17 15.39 3.28 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 122.818 0.447 . . . . 0.0 110.854 -172.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 8.6 p -63.94 -50.1 69.98 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.018 -172.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.37 -31.08 32.01 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -173.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -64.14 -24.78 67.81 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-O 120.747 0.308 . . . . 0.0 111.491 -177.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 431' ' ' THR . . . . . . . . . . . . . 10.1 t -126.37 -6.94 6.41 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 120.921 0.391 . . . . 0.0 111.261 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -91.44 -9.51 44.33 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.81 0.814 . . . . 0.0 109.904 179.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 154.38 -85.42 0.14 Allowed Glycine 0 N--CA 1.444 -0.794 0 CA-C-N 114.65 -1.159 . . . . 0.0 111.826 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 434' ' ' LYS . . . . . 0.614 ' HB3' ' HB2' ' A' ' 436' ' ' GLU . 30.1 mttt -174.73 143.49 0.77 Allowed 'General case' 0 C--O 1.235 0.336 0 C-N-CA 122.669 0.388 . . . . 0.0 110.517 -179.209 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -69.2 -45.69 69.3 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 107.383 -1.34 . . . . 0.0 107.383 163.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 436' ' ' GLU . . . . . 0.614 ' HB2' ' HB3' ' A' ' 434' ' ' LYS . 44.2 tt0 62.74 -80.25 0.03 OUTLIER 'General case' 0 C--O 1.232 0.168 0 CA-C-N 114.079 -1.419 . . . . 0.0 112.763 169.213 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 437' ' ' LYS . . . . . 0.514 ' HA ' ' HB ' ' A' ' 440' ' ' THR . 27.1 ttpp -165.18 -28.16 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.47 -173.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -62.57 -45.61 92.12 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.338 179.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -95.58 1.88 53.98 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.656 0.741 . . . . 0.0 109.655 179.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.514 ' HB ' ' HA ' ' A' ' 437' ' ' LYS . 22.3 m -102.4 101.49 11.72 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.542 179.606 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 41.1 p -106.77 8.96 31.15 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.412 0.625 . . . . 0.0 110.449 -179.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . 98.16 -19.18 55.53 Favored Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 115.564 -0.743 . . . . 0.0 111.558 -178.345 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 47.2 m . . . . . 0 C--O 1.252 1.228 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 176.531 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.747 0 N-CA-C 112.191 -0.364 . . . . 0.0 112.191 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 49.6 m -91.56 148.87 21.97 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 122.287 0.235 . . . . 0.0 110.721 -178.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 373' ' ' LYS . . . . . 0.482 ' HE3' ' OE1' ' A' ' 375' ' ' GLN . 53.4 tptt 55.48 79.74 0.15 Allowed 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.736 0.779 . . . . 0.0 110.783 179.408 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 374' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -110.1 2.82 19.72 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.157 -175.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 375' ' ' GLN . . . . . 0.482 ' OE1' ' HE3' ' A' ' 373' ' ' LYS . 2.0 mp0 65.51 92.01 0.08 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.524 -175.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -104.16 -15.79 15.42 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.612 176.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 377' ' ' THR . . . . . 0.599 HG22 ' HB3' ' A' ' 380' ' ' ALA . 6.7 m 65.57 33.61 8.43 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 121.888 0.852 . . . . 0.0 108.87 -174.661 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 378' ' ' GLU . . . . . 0.426 ' OE1' ' HB3' ' A' ' 382' ' ' ASN . 8.5 tp10 -44.12 -50.3 8.63 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 114.35 -1.296 . . . . 0.0 112.127 -177.097 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 379' ' ' SER . . . . . 0.465 ' O ' ' HD3' ' A' ' 383' ' ' LYS . 11.5 m -53.08 -51.19 62.63 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.594 -176.368 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 380' ' ' ALA . . . . . 0.599 ' HB3' HG22 ' A' ' 377' ' ' THR . . . -70.71 -38.31 73.62 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.643 0.259 . . . . 0.0 111.118 -177.602 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -67.32 -58.0 5.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.408 -176.025 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 382' ' ' ASN . . . . . 0.426 ' HB3' ' OE1' ' A' ' 378' ' ' GLU . 1.6 p30 -64.97 -37.28 87.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.087 -173.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 383' ' ' LYS . . . . . 0.609 ' HB3' ' HG ' ' A' ' 416' ' ' LEU . 6.3 mptp? -59.22 -57.67 12.01 Favored 'General case' 0 CA--C 1.518 -0.262 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.097 176.683 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 384' ' ' GLU . . . . . 0.515 ' HG3' ' HB2' ' A' ' 416' ' ' LEU . 20.6 mt-10 -61.55 -35.69 78.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.721 -177.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? -62.01 -44.15 97.33 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.908 0.385 . . . . 0.0 110.095 176.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 386' ' ' ILE . . . . . 0.419 HD13 ' HD3' ' A' ' 403' ' ' LYS . 84.8 mt -66.1 -40.48 87.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.655 177.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 387' ' ' CYS . . . . . 0.645 ' O ' ' HB2' ' A' ' 414' ' ' CYS . 67.2 m -59.12 -44.76 92.02 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.317 175.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -75.74 -19.11 59.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.84 -177.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -72.46 -14.24 61.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.315 177.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 390' ' ' ALA . . . . . 0.766 ' HB2' HD21 ' A' ' 400' ' ' LEU . . . -92.78 -20.46 20.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.972 0.415 . . . . 0.0 110.396 179.024 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? 58.25 -139.15 0.81 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.459 177.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -87.82 12.6 12.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.038 -179.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -83.13 90.2 7.04 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 178.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -64.19 -31.85 73.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.813 -176.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -63.86 -52.58 59.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.957 0.408 . . . . 0.0 110.094 175.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 396' ' ' ALA . . . . . 0.413 ' O ' ' HB2' ' A' ' 399' ' ' ASN . . . -60.76 -38.89 86.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.08 178.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -53.41 -52.76 58.35 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.186 -0.916 . . . . 0.0 111.243 174.689 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -60.32 -22.94 63.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.845 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 399' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' A' ' 396' ' ' ALA . 41.1 m-80 -70.75 -61.14 1.88 Allowed 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.936 0.398 . . . . 0.0 110.596 174.604 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.766 HD21 ' HB2' ' A' ' 390' ' ' ALA . 2.8 pp -83.03 12.08 5.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.124 0.488 . . . . 0.0 111.23 -177.02 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 5.7 tmtp? -50.48 -39.99 49.83 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.202 -0.908 . . . . 0.0 112.189 -179.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -72.98 -3.1 23.88 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -174.338 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 403' ' ' LYS . . . . . 0.419 ' HD3' HD13 ' A' ' 386' ' ' ILE . 98.1 mttt -86.29 2.33 47.67 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.38 175.024 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 100.23 18.7 21.02 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.266 178.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 91.3 m -106.7 119.76 40.18 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.074 0.464 . . . . 0.0 111.132 -177.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 7.4 p -114.37 132.95 61.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.869 177.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 407' ' ' PHE . . . . . 0.553 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 29.0 t80 -72.91 130.27 40.02 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.271 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -110.96 116.89 31.97 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.376 178.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 8.5 p -71.45 -17.71 62.36 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.759 -175.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -78.67 -49.34 13.34 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.826 0.346 . . . . 0.0 110.554 -176.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 28.2 p -80.43 -18.42 48.84 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.173 176.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 65.84 39.96 4.44 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.841 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 53.6 pttt -154.67 152.39 29.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.655 176.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 414' ' ' CYS . . . . . 0.645 ' HB2' ' O ' ' A' ' 387' ' ' CYS . 32.5 m -65.88 126.41 28.45 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.785 0.326 . . . . 0.0 110.694 170.676 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -123.16 165.23 17.22 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 176.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.609 ' HG ' ' HB3' ' A' ' 383' ' ' LYS . 0.5 OUTLIER -62.98 140.41 58.86 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 178.129 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 58.0 tptt -44.15 122.79 3.08 Favored 'General case' 0 CA--C 1.532 0.275 0 O-C-N 123.691 0.619 . . . . 0.0 110.603 175.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -55.63 -45.1 77.63 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.844 -173.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -61.4 -38.76 88.23 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.855 -178.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 98.2 t -71.25 -45.07 72.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.284 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -59.01 -42.49 90.27 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.312 177.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -58.03 -47.96 81.51 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.062 178.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.3 -20.57 51.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.008 -174.156 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 76.2 mt -79.16 -47.45 16.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.13 174.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -68.44 -56.01 9.91 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.346 -178.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 27.4 tptp 59.15 92.5 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 O-C-N 123.772 0.67 . . . . 0.0 111.354 178.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -111.6 -73.41 0.68 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.687 179.273 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 32.7 t -146.29 113.64 6.28 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.191 0.519 . . . . 0.0 112.272 -174.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 429' ' ' LYS . . . . . 0.427 ' HD3' ' HA ' ' A' ' 429' ' ' LYS . 29.8 mmtp -130.9 -53.35 1.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.121 167.041 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -131.07 28.02 4.81 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.448 173.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 431' ' ' THR . . . . . . . . . . . . . 10.5 t -78.14 -0.95 30.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.687 -173.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -86.92 96.46 10.25 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 178.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -159.45 -152.86 6.63 Favored Glycine 0 N--CA 1.444 -0.782 0 N-CA-C 111.316 -0.714 . . . . 0.0 111.316 178.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -105.22 130.6 53.34 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.86 0.362 . . . . 0.0 110.317 -178.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 435' ' ' ASP . . . . . 0.543 ' HA ' ' HB3' ' A' ' 439' ' ' ASN . 10.1 p-10 -79.55 75.74 6.18 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.873 0.844 . . . . 0.0 110.699 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 436' ' ' GLU . . . . . 0.433 ' HB3' ' H ' ' A' ' 437' ' ' LYS . 1.3 tm-20 -84.51 -88.58 0.11 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 175.505 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 437' ' ' LYS . . . . . 0.433 ' H ' ' HB3' ' A' ' 436' ' ' GLU . 98.2 mttt -138.0 9.61 2.8 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.469 0.652 . . . . 0.0 109.511 170.319 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -106.17 -41.58 5.31 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.499 -175.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 439' ' ' ASN . . . . . 0.543 ' HB3' ' HA ' ' A' ' 435' ' ' ASP . 17.8 t-20 -82.56 109.6 16.9 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.002 -175.125 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 21.3 p -97.51 77.55 2.61 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.289 0.566 . . . . 0.0 110.588 176.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 8.8 t -75.15 -14.7 60.58 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.355 -177.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . -175.14 -37.99 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 111.48 -0.648 . . . . 0.0 111.48 -179.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 12.6 m . . . . . 0 C--O 1.247 0.922 0 CA-C-O 118.506 -0.759 . . . . 0.0 109.607 176.874 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.618 0 N-CA-C 111.671 -0.571 . . . . 0.0 111.671 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 44.6 t -148.08 135.95 20.99 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -178.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 49.7 pttt -121.41 86.75 2.63 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.622 0.725 . . . . 0.0 111.048 178.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 374' ' ' LYS . . . . . 0.417 ' HA ' ' HD3' ' A' ' 374' ' ' LYS . 26.8 mmtm -142.62 35.41 1.44 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.795 178.354 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 375' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -75.42 114.74 14.31 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.447 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -118.39 120.0 36.28 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.814 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 377' ' ' THR . . . . . 0.872 ' HB ' ' HB2' ' A' ' 381' ' ' GLU . 10.3 m -137.02 84.64 2.08 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.003 177.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 378' ' ' GLU . . . . . 0.547 ' HG3' ' H ' ' A' ' 380' ' ' ALA . 11.9 pt-20 45.52 -158.45 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.864 0.866 . . . . 0.0 112.471 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 379' ' ' SER . . . . . 0.682 ' HA ' ' ND2' ' A' ' 382' ' ' ASN . 41.7 m -59.83 -41.04 90.48 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.773 178.002 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 380' ' ' ALA . . . . . 0.547 ' H ' ' HG3' ' A' ' 378' ' ' GLU . . . -50.95 -51.17 55.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.833 0.349 . . . . 0.0 111.838 -175.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 381' ' ' GLU . . . . . 0.872 ' HB2' ' HB ' ' A' ' 377' ' ' THR . 6.4 tp10 -72.0 -49.19 39.08 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.05 -176.342 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 382' ' ' ASN . . . . . 0.682 ' ND2' ' HA ' ' A' ' 379' ' ' SER . 1.2 p30 -75.58 -27.31 58.52 Favored 'General case' 0 C--O 1.223 -0.317 0 C-N-CA 120.397 -0.521 . . . . 0.0 111.315 -172.296 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 383' ' ' LYS . . . . . 0.556 ' HB3' HD13 ' A' ' 416' ' ' LEU . 13.7 mptt -65.02 -48.83 72.51 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 174.431 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -56.43 -46.21 80.36 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 114.808 -1.087 . . . . 0.0 109.943 175.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 385' ' ' LYS . . . . . 0.455 ' C ' ' HD3' ' A' ' 385' ' ' LYS . 13.0 tmtt? -58.52 -43.02 89.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.496 178.462 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 386' ' ' ILE . . . . . 0.508 HG13 ' O ' ' A' ' 382' ' ' ASN . 72.7 mt -63.32 -43.69 98.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.221 0.534 . . . . 0.0 109.702 -178.067 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 59.7 m -66.85 -40.46 87.91 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.591 176.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.99 -27.45 65.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.212 -179.096 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -72.39 -13.59 61.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.889 0.376 . . . . 0.0 111.285 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -82.8 -22.95 34.06 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 175.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 37.6 mtpt 53.97 -137.28 1.23 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 114.697 -1.138 . . . . 0.0 111.147 177.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 392' ' ' ASP . . . . . 0.494 ' HA ' ' HA ' ' A' ' 413' ' ' LYS . 5.1 m-20 -79.83 0.68 29.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.182 -176.151 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -78.91 109.24 13.0 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.001 0.429 . . . . 0.0 110.005 -178.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 394' ' ' GLN . . . . . 0.482 ' O ' ' HG3' ' A' ' 398' ' ' GLU . 52.2 tt0 -64.82 -45.24 87.04 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.77 -175.069 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 16.4 ttmm -70.69 -34.27 71.8 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 121.022 -0.271 . . . . 0.0 111.546 -172.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -61.34 -37.59 83.88 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 174.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 23.7 t -69.71 -40.4 76.31 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.061 176.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 398' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' A' ' 394' ' ' GLN . 44.7 mt-10 -54.66 -40.67 69.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.091 176.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -66.98 -40.85 87.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.232 0.539 . . . . 0.0 110.283 178.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . . . . . . . . . 69.6 mt -83.21 0.19 46.56 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.409 -177.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . 0.434 ' HA ' ' O ' ' A' ' 405' ' ' CYS . 5.6 tmtm? -58.23 -34.88 70.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.999 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -65.0 -33.76 76.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.761 178.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -81.12 -12.58 59.21 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.929 -176.009 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 122.09 14.87 4.43 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.513 -0.851 . . . . 0.0 113.195 176.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 405' ' ' CYS . . . . . 0.562 ' HB3' ' SG ' ' A' ' 414' ' ' CYS . 71.2 m -93.94 147.65 22.9 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.166 0.508 . . . . 0.0 111.293 179.644 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 406' ' ' VAL . . . . . 0.559 ' CG1' ' HA ' ' A' ' 417' ' ' LYS . 9.2 p -136.91 141.87 39.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 175.628 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 407' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -76.52 125.77 29.82 Favored 'General case' 0 N--CA 1.44 -0.956 0 C-N-CA 119.825 -0.75 . . . . 0.0 109.034 177.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -111.5 99.15 7.97 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.149 0.499 . . . . 0.0 109.777 -174.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 17.1 p -66.46 -17.15 64.63 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.58 -0.737 . . . . 0.0 111.859 -174.031 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -68.7 -26.33 65.23 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.293 0.568 . . . . 0.0 109.663 -178.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 12.8 p -117.36 -0.37 12.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.383 176.291 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 10.0 t30 68.94 10.28 7.84 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.318 176.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 413' ' ' LYS . . . . . 0.494 ' HA ' ' HA ' ' A' ' 392' ' ' ASP . 5.2 ptpp? -135.97 168.11 19.96 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 121.996 -0.44 . . . . 0.0 111.34 -176.437 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 414' ' ' CYS . . . . . 0.562 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 49.6 t -74.66 138.94 43.2 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.537 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -138.45 158.46 44.23 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.393 -176.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.556 HD13 ' HB3' ' A' ' 383' ' ' LYS . 56.1 tp -60.99 131.44 50.65 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 174.458 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 417' ' ' LYS . . . . . 0.559 ' HA ' ' CG1' ' A' ' 406' ' ' VAL . 18.5 pttp -48.68 129.87 16.95 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.317 0.58 . . . . 0.0 111.191 -171.47 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.86 -22.98 64.79 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-N 114.815 -1.084 . . . . 0.0 113.043 -164.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 419' ' ' ASP . . . . . 0.608 ' O ' ' HD3' ' A' ' 423' ' ' LYS . 33.7 t70 -63.75 -37.68 88.28 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.095 0.474 . . . . 0.0 110.346 176.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 93.6 t -76.1 -41.6 37.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.254 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . 0.412 ' O ' ' HG2' ' A' ' 425' ' ' GLU . 19.6 ttmt -68.28 -36.2 79.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.896 0.379 . . . . 0.0 110.652 -179.412 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -59.78 -44.58 93.83 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.054 175.28 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 423' ' ' LYS . . . . . 0.608 ' HD3' ' O ' ' A' ' 419' ' ' ASP . 0.6 OUTLIER -81.26 -6.18 58.59 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.386 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 64.0 tp -89.34 -58.82 2.4 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.873 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 425' ' ' GLU . . . . . 0.642 ' HG3' ' HB2' ' A' ' 427' ' ' GLU . 9.6 pt-20 -98.8 0.6 44.7 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.655 -176.413 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 62.3 mttm 61.39 32.12 19.08 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.672 176.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . 0.642 ' HB2' ' HG3' ' A' ' 425' ' ' GLU . 0.8 OUTLIER -82.44 44.61 0.89 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.683 0.754 . . . . 0.0 110.236 -175.136 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 18.6 p -101.61 -55.9 2.41 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.397 172.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -108.26 -24.58 11.43 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.859 175.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -102.71 89.57 3.54 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.371 0.605 . . . . 0.0 110.715 -178.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 431' ' ' THR . . . . . . . . . . . . . 26.4 m -101.0 -32.41 10.64 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.735 177.066 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -97.45 159.01 15.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.072 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 96.9 17.68 31.9 Favored Glycine 0 N--CA 1.449 -0.473 0 N-CA-C 109.998 -1.241 . . . . 0.0 109.998 -171.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -88.47 -8.6 54.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.374 -0.913 . . . . 0.0 111.309 -174.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 32.4 t70 64.17 75.97 0.36 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.415 0.626 . . . . 0.0 109.35 -170.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.0 -69.75 0.16 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.197 -0.911 . . . . 0.0 109.052 178.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 17.1 pttm -139.53 -1.51 1.67 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.877 169.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -166.2 102.73 0.63 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.932 178.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -83.28 25.44 0.72 Allowed 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.201 -178.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 22.7 m 65.5 76.79 0.32 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.511 0.672 . . . . 0.0 109.651 -173.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 27.0 m -79.15 107.62 12.05 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.589 -177.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . 118.74 146.63 8.02 Favored Glycine 0 N--CA 1.443 -0.849 0 C-N-CA 121.063 -0.589 . . . . 0.0 111.633 -177.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 8.7 t . . . . . 0 C--O 1.251 1.163 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 -179.268 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.55 0 N-CA-C 111.96 -0.456 . . . . 0.0 111.96 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 19.3 m 68.94 -178.39 0.22 Allowed 'General case' 0 C--O 1.235 0.294 0 C-N-CA 123.057 0.543 . . . . 0.0 110.671 -177.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 90.6 mttt 66.94 -84.1 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.98 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 374' ' ' LYS . . . . . . . . . . . . . 68.3 mttm 59.35 98.8 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.093 0.557 . . . . 0.0 112.086 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 375' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 63.28 -160.75 0.3 Allowed 'General case' 0 C--O 1.233 0.191 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.495 -178.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -102.2 96.15 6.79 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.799 0.333 . . . . 0.0 110.229 177.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 377' ' ' THR . . . . . . . . . . . . . 12.1 p -58.4 106.61 0.4 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.217 176.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 378' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -60.22 -45.08 94.43 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.437 -172.114 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 49.2 m -58.02 -52.13 66.8 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.046 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -65.01 -41.75 95.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.165 179.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -59.06 -58.63 7.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.506 -175.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 382' ' ' ASN . . . . . 0.572 ' O ' HG13 ' A' ' 386' ' ' ILE . 2.9 p30 -70.15 -32.25 70.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.058 -173.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 383' ' ' LYS . . . . . 0.483 ' HB3' HD13 ' A' ' 416' ' ' LEU . 13.3 mptt -68.74 -46.23 69.41 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -179.667 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -59.15 -41.36 88.16 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.296 177.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 385' ' ' LYS . . . . . 0.422 ' HD2' ' HA ' ' A' ' 385' ' ' LYS . 19.5 tptm -67.58 -29.05 68.31 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.973 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 386' ' ' ILE . . . . . 0.572 HG13 ' O ' ' A' ' 382' ' ' ASN . 79.6 mt -65.54 -44.14 94.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 175.007 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 14.4 m -61.59 -41.89 98.08 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.113 175.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.59 -17.76 61.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.565 -177.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -77.86 -22.84 49.23 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.25 0.548 . . . . 0.0 110.586 176.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -87.41 -35.24 18.42 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.036 178.2 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 45.0 mtmt 67.23 -86.34 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 114.971 -1.013 . . . . 0.0 112.366 174.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -121.93 -9.22 8.79 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.64 -171.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -75.51 85.99 2.61 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.525 0.678 . . . . 0.0 110.568 -175.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -53.95 -45.32 71.27 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.362 -1.29 . . . . 0.0 112.725 -172.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . 0.431 ' HD2' ' HA ' ' A' ' 395' ' ' LYS . 38.7 tptt -64.06 -40.23 95.82 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.911 -0.316 . . . . 0.0 111.081 -175.088 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 396' ' ' ALA . . . . . 0.483 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -63.08 -31.95 73.21 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.646 0.736 . . . . 0.0 109.922 177.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . 0.537 ' HA ' ' CD1' ' A' ' 400' ' ' LEU . 86.3 m -76.94 -35.99 56.88 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 114.911 -1.041 . . . . 0.0 111.31 -178.354 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -55.96 -36.5 67.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.811 0.339 . . . . 0.0 110.284 171.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 41.2 m-80 -64.42 -46.25 84.05 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.201 178.082 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.537 ' CD1' ' HA ' ' A' ' 397' ' ' CYS . 1.8 pp -98.44 18.7 15.93 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.895 0.379 . . . . 0.0 111.779 -177.618 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . 0.645 ' HA ' ' O ' ' A' ' 405' ' ' CYS . 14.1 tmtt? -56.52 -46.65 80.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.211 179.105 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -62.06 -19.59 63.08 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.625 -176.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 403' ' ' LYS . . . . . 0.476 ' HD2' ' HB2' ' A' ' 400' ' ' LEU . 61.8 mttp -76.02 -20.99 57.35 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.518 -178.422 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 404' ' ' GLY . . . . . 0.422 ' O ' HD12 ' A' ' 416' ' ' LEU . . . 136.59 -6.6 3.87 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.381 177.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 405' ' ' CYS . . . . . 0.645 ' O ' ' HA ' ' A' ' 401' ' ' LYS . 73.3 m -94.89 113.54 25.28 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.151 0.501 . . . . 0.0 111.638 -175.048 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 406' ' ' VAL . . . . . 0.508 HG23 ' HB2' ' A' ' 417' ' ' LYS . 39.5 t -110.92 136.6 46.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 175.731 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 407' ' ' PHE . . . . . 0.538 ' HD1' ' SG ' ' A' ' 414' ' ' CYS . 27.0 t80 -75.16 122.37 23.52 Favored 'General case' 0 N--CA 1.44 -0.955 0 C-N-CA 119.858 -0.737 . . . . 0.0 109.711 178.075 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -99.14 110.3 22.88 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 -179.299 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 2.7 p -76.04 -15.97 60.03 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.927 0.394 . . . . 0.0 111.585 -177.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -84.39 -52.91 5.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.075 178.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 20.7 m -71.9 -24.78 61.71 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.084 0.468 . . . . 0.0 109.786 175.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 70.14 47.51 0.56 Allowed 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.295 175.58 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -161.0 161.15 31.4 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.284 174.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 414' ' ' CYS . . . . . 0.538 ' SG ' ' HD1' ' A' ' 407' ' ' PHE . 59.9 m -73.97 118.08 16.5 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 172.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -127.81 133.53 49.42 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.574 -168.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.553 HD21 ' HD3' ' A' ' 421' ' ' LYS . 36.4 tp -58.24 128.13 35.58 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 174.213 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 417' ' ' LYS . . . . . 0.508 ' HB2' HG23 ' A' ' 406' ' ' VAL . 23.0 tptp -74.74 86.64 2.19 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 -176.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . 0.58 ' O ' ' HB2' ' A' ' 422' ' ' GLU . 16.2 ptmt -63.03 -26.84 69.04 Favored 'General case' 0 C--O 1.22 -0.46 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.764 -174.679 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.2 -51.41 53.8 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.76 178.657 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 76.6 t -69.58 -42.91 80.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 120.837 0.351 . . . . 0.0 110.328 178.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . 0.553 ' HD3' HD21 ' A' ' 416' ' ' LEU . 3.6 ttpp -65.21 -27.82 68.95 Favored 'General case' 0 C--O 1.213 -0.855 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.304 -179.557 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 422' ' ' GLU . . . . . 0.58 ' HB2' ' O ' ' A' ' 418' ' ' LYS . 1.4 tp10 -72.81 -42.38 63.9 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.274 0.559 . . . . 0.0 109.536 -178.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 423' ' ' LYS . . . . . 0.532 ' O ' ' HG2' ' A' ' 426' ' ' LYS . 88.0 tttt -65.74 -37.94 87.76 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.181 177.314 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 56.4 tp -75.67 -34.73 60.48 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.791 178.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 425' ' ' GLU . . . . . 0.53 ' HB2' ' O ' ' A' ' 421' ' ' LYS . 6.8 tp10 -55.84 -58.29 8.47 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.516 0.674 . . . . 0.0 109.454 179.261 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 426' ' ' LYS . . . . . 0.871 ' HG3' ' HE2' ' A' ' 429' ' ' LYS . 2.3 mmpm? 65.62 -178.2 0.19 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 114.239 -1.346 . . . . 0.0 112.775 177.107 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . 0.461 ' OE1' ' HD3' ' A' ' 426' ' ' LYS . 0.0 OUTLIER -148.14 -41.25 0.16 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.785 -1.098 . . . . 0.0 110.76 -171.411 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 19.6 m -100.63 34.22 2.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.806 -177.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 429' ' ' LYS . . . . . 0.871 ' HE2' ' HG3' ' A' ' 426' ' ' LYS . 60.5 mttm -104.78 18.32 22.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.777 0.322 . . . . 0.0 110.975 177.586 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -95.98 103.47 15.36 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 178.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 431' ' ' THR . . . . . . . . . . . . . 16.2 m -64.8 -45.94 84.14 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.335 0.588 . . . . 0.0 109.577 175.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 432' ' ' GLU . . . . . 0.414 ' O ' ' HG3' ' A' ' 434' ' ' LYS . 18.5 tp10 -78.83 107.18 11.36 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 171.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -57.75 -44.48 94.14 Favored Glycine 0 C--N 1.33 0.224 0 O-C-N 123.645 0.591 . . . . 0.0 113.014 -173.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 434' ' ' LYS . . . . . 0.414 ' HG3' ' O ' ' A' ' 432' ' ' GLU . 60.8 mttp 72.01 -64.94 0.37 Allowed 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 123.235 0.614 . . . . 0.0 111.145 178.435 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 435' ' ' ASP . . . . . 0.855 ' HA ' ' HB2' ' A' ' 439' ' ' ASN . 29.9 m-20 -76.48 81.64 3.19 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 177.697 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -128.43 -45.84 1.34 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.123 -175.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 24.4 tptp -68.05 -64.63 0.82 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.41 -174.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -163.59 33.22 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.678 0.752 . . . . 0.0 109.03 178.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 439' ' ' ASN . . . . . 0.855 ' HB2' ' HA ' ' A' ' 435' ' ' ASP . 10.2 m120 -90.31 126.36 35.83 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.947 -1.024 . . . . 0.0 111.49 -170.235 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 12.3 m 70.83 -68.67 0.2 Allowed 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 112.97 0.73 . . . . 0.0 112.97 171.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . 0.44 HG22 ' H ' ' A' ' 443' ' ' SER . 51.7 m -99.44 111.69 24.0 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.958 0.408 . . . . 0.0 110.792 -176.326 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . -96.66 35.09 4.59 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 121.012 -0.613 . . . . 0.0 112.013 179.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 443' ' ' SER . . . . . 0.44 ' H ' HG22 ' A' ' 441' ' ' THR . 32.9 m . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.806 -0.616 . . . . 0.0 109.552 178.143 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.667 0 N-CA-C 112.103 -0.399 . . . . 0.0 112.103 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 27.5 t -108.09 111.47 23.52 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 178.245 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -105.18 104.47 14.21 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.333 0.587 . . . . 0.0 111.2 -175.844 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 374' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -133.54 109.59 9.35 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.422 176.013 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 375' ' ' GLN . . . . . . . . . . . . . 14.3 tm0? -78.89 96.27 5.64 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 177.031 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -100.24 138.63 37.05 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.22 -177.875 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 377' ' ' THR . . . . . 0.679 HG22 ' HB2' ' A' ' 381' ' ' GLU . 0.3 OUTLIER -65.88 -64.7 0.8 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.315 -179.664 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 378' ' ' GLU . . . . . 0.434 ' HB2' ' H ' ' A' ' 379' ' ' SER . 11.3 pt-20 37.23 -149.65 0.01 OUTLIER 'General case' 0 C--O 1.241 0.656 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 173.125 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 379' ' ' SER . . . . . 0.434 ' H ' ' HB2' ' A' ' 378' ' ' GLU . 14.7 m -58.28 -30.75 66.86 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 114.572 -1.194 . . . . 0.0 111.892 -175.321 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -53.34 -47.24 69.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.878 0.371 . . . . 0.0 110.479 177.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 381' ' ' GLU . . . . . 0.679 ' HB2' HG22 ' A' ' 377' ' ' THR . 11.2 tp10 -66.51 -40.99 89.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.099 -179.662 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 382' ' ' ASN . . . . . 0.487 ' O ' HG13 ' A' ' 386' ' ' ILE . 22.0 m-80 -61.32 -52.21 65.63 Favored 'General case' 0 CA--C 1.507 -0.697 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.783 179.054 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 383' ' ' LYS . . . . . 0.573 ' HB3' HD13 ' A' ' 416' ' ' LEU . 1.7 mptm? -57.08 -45.84 83.02 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.658 179.32 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -55.32 -50.61 69.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.687 174.005 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -54.57 -40.7 69.04 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.273 0.472 . . . . 0.0 112.273 178.807 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 386' ' ' ILE . . . . . 0.487 HG13 ' O ' ' A' ' 382' ' ' ASN . 51.5 mt -68.48 -41.17 83.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 121.099 0.476 . . . . 0.0 109.916 -178.87 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 38.9 m -68.27 -44.9 74.54 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.513 177.112 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -66.66 -27.37 67.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.04 -175.664 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -63.63 -16.38 60.8 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.338 0.495 . . . . 0.0 112.338 178.391 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -85.76 -26.4 25.85 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.188 0.518 . . . . 0.0 109.829 178.166 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 60.9 mttm 55.34 -103.07 0.17 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 114.718 -1.128 . . . . 0.0 113.153 176.402 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -98.68 -21.33 16.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.918 -168.578 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -78.32 104.22 8.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.284 0.564 . . . . 0.0 110.666 -177.357 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -64.02 -37.73 88.48 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.186 -0.916 . . . . 0.0 111.282 -178.448 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -62.3 -45.18 94.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.445 -177.372 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 396' ' ' ALA . . . . . 0.48 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -64.44 -39.75 94.43 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-O 120.795 0.331 . . . . 0.0 110.393 178.761 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . 0.437 ' O ' HD12 ' A' ' 400' ' ' LEU . 44.3 t -57.77 -50.75 72.21 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.525 0.678 . . . . 0.0 110.401 177.053 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 398' ' ' GLU . . . . . 0.819 ' HA ' ' HB2' ' A' ' 401' ' ' LYS . 34.9 mt-10 -80.32 0.5 32.66 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.4 -177.366 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -80.65 -43.69 20.03 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.249 0.547 . . . . 0.0 109.588 168.333 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 1.3 pp -97.23 14.38 26.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.332 176.881 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . 0.819 ' HB2' ' HA ' ' A' ' 398' ' ' GLU . 57.2 tptt -41.99 -36.6 1.15 Allowed 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 114.336 -1.302 . . . . 0.0 112.96 174.502 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -61.41 -21.88 64.5 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 120.616 0.246 . . . . 0.0 111.603 -176.5 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 403' ' ' LYS . . . . . 0.401 ' CD ' HG21 ' A' ' 386' ' ' ILE . 65.3 mttm -75.3 -6.77 51.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.914 0.387 . . . . 0.0 110.748 179.175 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 100.3 16.1 28.35 Favored Glycine 0 N--CA 1.447 -0.628 0 N-CA-C 111.659 -0.577 . . . . 0.0 111.659 -178.303 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 71.3 m -89.27 103.93 16.52 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 121.181 0.515 . . . . 0.0 110.927 -178.2 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 2.5 p -101.6 122.36 53.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.874 176.27 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 407' ' ' PHE . . . . . 0.598 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 36.7 t80 -64.15 123.35 18.84 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 179.157 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -99.72 108.66 21.04 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.201 -176.074 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 4.2 p -76.51 -22.78 54.01 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.263 -178.487 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -63.91 -41.04 97.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.897 0.379 . . . . 0.0 110.779 -177.87 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 16.3 m -108.13 0.68 21.73 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 179.441 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 5.7 t30 54.99 69.61 0.71 Allowed 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.312 -179.233 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 17.0 pttp -177.3 145.79 0.46 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.447 174.82 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 414' ' ' CYS . . . . . 0.598 ' HA ' ' HA ' ' A' ' 407' ' ' PHE . 53.4 t -70.49 123.11 21.01 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 176.207 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -136.09 172.26 13.27 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.408 -176.928 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.916 HD23 ' HD3' ' A' ' 418' ' ' LYS . 24.5 tp -79.4 153.33 29.79 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 417' ' ' LYS . . . . . 0.779 ' HD2' ' HG ' ' A' ' 416' ' ' LEU . 0.0 OUTLIER -51.13 -23.09 2.91 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 123.313 0.383 . . . . 0.0 111.942 -179.623 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . 0.916 ' HD3' HD23 ' A' ' 416' ' ' LEU . 19.3 mtpp -49.12 -54.0 18.19 Favored 'General case' 0 CA--C 1.517 -0.298 0 C-N-CA 122.996 0.518 . . . . 0.0 112.185 178.341 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 419' ' ' ASP . . . . . 0.496 ' O ' ' HG2' ' A' ' 423' ' ' LYS . 15.0 t70 -68.87 -41.07 78.9 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.159 -172.68 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 94.5 t -66.25 -44.58 91.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.849 -179.606 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 25.6 ttmt -72.02 -23.33 61.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.102 0.477 . . . . 0.0 110.239 179.025 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 422' ' ' GLU . . . . . 0.443 ' HB3' ' O ' ' A' ' 419' ' ' ASP . 34.8 tt0 -64.04 -41.82 97.27 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.798 172.137 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 423' ' ' LYS . . . . . 0.496 ' HG2' ' O ' ' A' ' 419' ' ' ASP . 46.7 mmtm -75.47 -13.83 60.4 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.271 178.754 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 63.8 tp -83.45 -36.74 23.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.098 174.317 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -73.0 -41.32 64.4 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 176.379 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 42.6 tptt -64.11 116.68 6.17 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.364 172.602 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 59.97 51.15 6.09 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.567 -175.536 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 34.4 p -55.44 104.18 0.12 Allowed 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.057 -178.24 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 429' ' ' LYS . . . . . 0.419 ' HB3' ' HE2' ' A' ' 429' ' ' LYS . 15.1 ptpt -120.0 -46.86 2.41 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.407 -176.682 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . 0.467 ' O ' ' HD3' ' A' ' 434' ' ' LYS . 43.8 mt-10 63.96 -74.67 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 O-C-N 123.729 0.643 . . . . 0.0 111.435 -177.598 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 431' ' ' THR . . . . . . . . . . . . . 7.5 p -136.91 77.88 1.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.662 0.744 . . . . 0.0 110.578 179.732 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -90.98 4.6 51.62 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.853 179.374 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 139.93 61.86 0.04 OUTLIER Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.774 -0.727 . . . . 0.0 111.32 -174.356 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 434' ' ' LYS . . . . . 0.467 ' HD3' ' O ' ' A' ' 430' ' ' GLU . 0.0 OUTLIER -147.94 136.08 21.28 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.13 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 435' ' ' ASP . . . . . 0.463 ' HA ' ' HB3' ' A' ' 439' ' ' ASN . 3.7 m-20 58.77 -154.35 0.37 Allowed 'General case' 0 C--N 1.327 -0.382 0 O-C-N 123.322 0.389 . . . . 0.0 110.274 178.689 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 62.89 16.46 9.17 Favored 'General case' 0 N--CA 1.468 0.473 0 O-C-N 123.718 0.636 . . . . 0.0 111.336 175.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 28.4 ttmt 173.23 -63.72 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.188 -178.68 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -116.13 110.97 19.57 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.169 -175.764 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 439' ' ' ASN . . . . . 0.463 ' HB3' ' HA ' ' A' ' 435' ' ' ASP . 32.7 p-10 -162.54 -34.2 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.356 178.501 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 67.9 p 58.3 173.67 0.06 Allowed 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 124.438 1.095 . . . . 0.0 113.134 173.541 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 12.0 t -125.75 -1.22 7.33 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 173.124 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . -162.81 120.56 0.95 Allowed Glycine 0 N--CA 1.444 -0.826 0 CA-C-N 114.545 -1.207 . . . . 0.0 110.32 177.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 60.4 p . . . . . 0 C--O 1.251 1.175 0 CA-C-O 118.294 -0.86 . . . . 0.0 110.895 -173.035 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.621 0 N-CA-C 111.734 -0.546 . . . . 0.0 111.734 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 3.5 p -91.68 -41.82 10.51 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.999 0.428 . . . . 0.0 110.576 179.462 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -85.04 -23.81 28.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.409 0.623 . . . . 0.0 109.623 175.173 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 374' ' ' LYS . . . . . 0.535 ' NZ ' ' HA ' ' A' ' 425' ' ' GLU . 20.0 mmmt -94.57 99.48 11.61 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.876 -171.472 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 375' ' ' GLN . . . . . . . . . . . . . 53.5 tp60 -87.13 -30.6 20.95 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.236 0.541 . . . . 0.0 109.844 174.458 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -138.2 113.97 9.82 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.631 -179.369 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 377' ' ' THR . . . . . . . . . . . . . 9.9 t -87.99 -20.41 25.88 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 174.259 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 378' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -55.52 -39.3 70.35 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 114.813 -1.085 . . . . 0.0 111.058 178.778 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 379' ' ' SER . . . . . 0.533 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 6.2 m -53.66 -53.35 53.13 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.351 -177.524 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 380' ' ' ALA . . . . . 0.619 ' HB2' ' HG ' ' A' ' 424' ' ' LEU . . . -70.73 -41.04 72.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.818 0.342 . . . . 0.0 110.347 178.672 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -55.01 -57.86 9.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.536 -175.848 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 382' ' ' ASN . . . . . 0.523 ' O ' HG13 ' A' ' 386' ' ' ILE . 1.9 p30 -75.72 -37.35 59.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.131 -174.882 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 383' ' ' LYS . . . . . 0.533 ' HB2' ' O ' ' A' ' 379' ' ' SER . 10.8 mptt -66.46 -46.07 77.63 Favored 'General case' 0 CA--C 1.517 -0.299 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.124 -178.028 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -58.45 -46.81 85.8 Favored 'General case' 0 C--O 1.222 -0.373 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.02 175.242 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -60.78 -34.7 74.88 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.388 -179.077 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 386' ' ' ILE . . . . . 0.523 HG13 ' O ' ' A' ' 382' ' ' ASN . 75.9 mt -68.89 -48.58 69.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 178.254 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 62.8 m -64.01 -42.39 97.16 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.827 179.159 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -76.31 -17.33 59.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.723 -174.496 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -62.5 -27.61 69.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.28 176.731 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -77.3 -24.03 50.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.113 0.482 . . . . 0.0 109.748 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 56.5 mttp 58.93 -108.21 0.39 Allowed 'General case' 0 C--O 1.234 0.269 0 CA-C-N 114.957 -1.019 . . . . 0.0 111.74 174.707 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -101.93 -0.61 33.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.734 -177.034 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -85.32 106.48 16.74 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.084 0.469 . . . . 0.0 110.151 -178.631 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 394' ' ' GLN . . . . . 0.431 ' O ' ' HG2' ' A' ' 398' ' ' GLU . 6.3 tt0 -69.54 -40.01 77.12 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.43 -176.599 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -60.68 -42.05 96.34 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.933 0.397 . . . . 0.0 110.875 -176.811 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 396' ' ' ALA . . . . . 0.488 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -62.11 -36.69 82.49 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.106 175.941 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 7.9 t -69.29 -39.16 78.49 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.597 -179.781 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 398' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 394' ' ' GLN . 62.3 mm-40 -62.03 -27.15 68.68 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.58 176.817 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -79.15 -25.62 42.86 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.259 174.532 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 92.6 mt -91.05 1.82 56.79 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.94 179.691 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 17.7 mmtp -51.62 -36.68 46.81 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 123.078 0.551 . . . . 0.0 111.324 175.376 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -56.15 -39.4 72.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.671 177.837 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 403' ' ' LYS . . . . . 0.425 ' HD2' ' N ' ' A' ' 403' ' ' LYS . 3.2 mptp? -79.44 -15.44 57.81 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.816 -174.351 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 108.88 10.59 24.33 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.505 -0.855 . . . . 0.0 111.969 -177.314 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 58.7 m -84.23 132.39 34.65 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 178.49 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 406' ' ' VAL . . . . . 0.497 ' CG2' ' HB3' ' A' ' 417' ' ' LYS . 65.2 t -131.78 128.65 60.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 178.353 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 407' ' ' PHE . . . . . 0.442 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 26.3 t80 -65.98 120.61 13.42 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-O 121.325 0.583 . . . . 0.0 109.707 177.4 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -105.91 108.88 20.63 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.299 -175.338 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.65 -14.06 60.35 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.921 0.391 . . . . 0.0 111.597 -177.364 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -55.95 -52.29 64.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.08 171.931 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 42.4 t -98.28 -8.96 26.24 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.205 -179.786 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 6.3 t30 55.66 68.12 0.91 Allowed 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.008 -171.901 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 6.1 tppp? -166.32 143.7 5.22 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.133 -172.096 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 414' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 407' ' ' PHE . 51.2 t -75.94 120.22 20.98 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.741 -0.836 . . . . 0.0 108.741 169.732 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -137.22 152.94 50.42 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.268 -174.756 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.432 ' HG ' HG23 ' A' ' 420' ' ' VAL . 36.2 tp -64.32 119.47 10.36 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 175.413 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 417' ' ' LYS . . . . . 0.497 ' HB3' ' CG2' ' A' ' 406' ' ' VAL . 65.6 pttt -55.34 146.41 19.51 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.156 0.503 . . . . 0.0 111.088 -172.078 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . 0.425 ' HE3' ' HB2' ' A' ' 418' ' ' LYS . 15.2 ptmt -60.84 -27.78 68.33 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.597 -0.729 . . . . 0.0 112.253 -171.452 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -65.03 -42.14 94.63 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.019 0.438 . . . . 0.0 111.445 -176.026 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 420' ' ' VAL . . . . . 0.432 HG23 ' HG ' ' A' ' 416' ' ' LEU . 10.4 m -82.7 -31.66 9.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 C-N-CA 120.719 -0.393 . . . . 0.0 111.069 -179.921 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -71.5 -32.24 68.0 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.612 177.656 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -75.02 -28.79 60.62 Favored 'General case' 0 C--O 1.218 -0.584 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 176.26 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 423' ' ' LYS . . . . . 0.614 ' O ' ' HD3' ' A' ' 423' ' ' LYS . 8.4 tmtt? -69.7 -31.32 69.28 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.438 0.637 . . . . 0.0 109.486 174.697 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 424' ' ' LEU . . . . . 0.619 ' HG ' ' HB2' ' A' ' 380' ' ' ALA . 3.2 tm? -63.51 -39.88 95.59 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.917 177.696 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 425' ' ' GLU . . . . . 0.535 ' HA ' ' NZ ' ' A' ' 374' ' ' LYS . 44.2 mm-40 -77.71 -50.38 12.53 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.66 173.343 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.09 78.53 8.14 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.071 -177.828 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -72.25 -37.44 69.1 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.699 172.492 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 69.6 m -158.37 -35.98 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.54 178.838 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -118.49 62.89 0.77 Allowed 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 112.443 0.535 . . . . 0.0 112.443 -172.898 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 37.21 -95.64 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.225 1.01 . . . . 0.0 113.474 177.822 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 431' ' ' THR . . . . . 0.454 ' O ' ' HB3' ' A' ' 432' ' ' GLU . 8.3 t -157.78 -18.57 0.08 Allowed 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 -175.096 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 432' ' ' GLU . . . . . 0.454 ' HB3' ' O ' ' A' ' 431' ' ' THR . 10.8 tp10 70.63 100.42 0.06 Allowed 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.483 0.659 . . . . 0.0 110.435 -176.585 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 96.55 -94.14 1.59 Allowed Glycine 0 N--CA 1.447 -0.587 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.349 -177.645 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 434' ' ' LYS . . . . . 0.404 ' HE3' ' HB2' ' A' ' 436' ' ' GLU . 60.7 pttt -157.9 -177.5 6.62 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 175.074 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -78.19 12.55 1.82 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.557 -173.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 436' ' ' GLU . . . . . 0.404 ' HB2' ' HE3' ' A' ' 434' ' ' LYS . 28.4 tt0 -59.05 -40.47 85.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.19 0.519 . . . . 0.0 110.352 177.335 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -104.12 18.67 21.59 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.496 -177.97 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -142.77 -94.12 0.12 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.563 -176.953 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 59.3 m-80 -85.17 79.93 9.39 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-O 121.033 0.444 . . . . 0.0 110.895 -175.363 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 24.4 m -105.0 104.76 14.56 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.223 176.408 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 10.3 t -76.07 145.11 40.35 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.359 -179.832 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . 79.24 54.5 4.04 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.602 -0.808 . . . . 0.0 112.282 -178.945 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 56.1 m . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.659 -0.686 . . . . 0.0 109.677 177.198 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.863 0 N-CA-C 112.364 -0.294 . . . . 0.0 112.364 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 48.8 m -80.31 82.67 6.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.345 0.593 . . . . 0.0 110.569 -178.401 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -149.45 -64.23 0.22 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.592 -178.699 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 374' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -82.06 -61.6 1.86 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.78 -177.732 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 375' ' ' GLN . . . . . 0.485 ' HA ' ' OE1' ' A' ' 378' ' ' GLU . 16.3 tt0 -170.14 133.07 1.11 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 176.741 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 178.66 -64.96 0.01 OUTLIER 'General case' 0 CA--C 1.518 -0.275 0 CA-C-O 121.314 0.578 . . . . 0.0 111.427 177.712 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 377' ' ' THR . . . . . 0.573 ' O ' ' HG2' ' A' ' 381' ' ' GLU . 33.8 p -99.57 -30.8 11.93 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 115.143 -0.935 . . . . 0.0 112.817 -169.861 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 378' ' ' GLU . . . . . 0.485 ' OE1' ' HA ' ' A' ' 375' ' ' GLN . 0.2 OUTLIER -57.64 -33.89 68.76 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 111.911 0.338 . . . . 0.0 111.911 -169.876 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 10.8 p -62.8 -46.22 88.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.957 0.408 . . . . 0.0 110.79 178.717 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -69.16 -41.84 76.72 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.782 179.526 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 381' ' ' GLU . . . . . 0.573 ' HG2' ' O ' ' A' ' 377' ' ' THR . 17.3 mm-40 -53.77 -58.94 5.41 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.377 -177.826 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 382' ' ' ASN . . . . . 0.501 ' O ' HG13 ' A' ' 386' ' ' ILE . 3.4 p30 -72.62 -30.77 64.62 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.183 -174.134 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 383' ' ' LYS . . . . . 0.659 ' HB3' HD13 ' A' ' 416' ' ' LEU . 13.4 mptt -68.72 -43.17 76.52 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-O 120.993 0.425 . . . . 0.0 109.889 -179.29 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -57.53 -39.51 76.75 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.041 175.872 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -68.75 -37.68 79.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.545 178.908 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 386' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 382' ' ' ASN . 80.8 mt -63.07 -46.93 94.87 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.341 0 CA-C-O 121.269 0.557 . . . . 0.0 109.527 177.927 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 61.7 m -62.2 -44.57 96.28 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.732 177.915 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -74.75 -19.58 60.16 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -174.727 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -72.71 -11.62 60.7 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.84 0.352 . . . . 0.0 110.925 176.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -90.92 -14.88 30.78 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 175.415 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? 54.78 -99.88 0.1 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 114.477 -1.238 . . . . 0.0 112.31 178.621 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -128.15 13.05 6.67 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.305 -174.682 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -83.33 98.36 9.4 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.281 178.593 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -62.29 -32.56 73.3 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 121.138 -0.225 . . . . 0.0 110.939 -178.908 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -57.68 -51.99 67.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.992 0.425 . . . . 0.0 110.051 175.974 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 396' ' ' ALA . . . . . 0.572 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -66.23 -34.9 79.06 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.342 -179.523 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . 0.516 ' SG ' ' HD2' ' A' ' 407' ' ' PHE . 59.9 m -62.61 -42.48 99.6 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.349 176.703 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -60.37 -33.93 73.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.797 0.332 . . . . 0.0 110.992 176.594 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 38.0 m-80 -65.59 -52.62 50.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.095 177.746 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 1.8 pp -95.49 15.62 19.2 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 111.976 0.362 . . . . 0.0 111.976 -175.59 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -62.1 -33.63 74.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.43 0.634 . . . . 0.0 109.368 176.104 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 402' ' ' GLU . . . . . 0.441 ' HG3' ' HG3' ' A' ' 403' ' ' LYS . 3.3 pt-20 -59.67 -25.06 64.43 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.584 176.301 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 403' ' ' LYS . . . . . 0.441 ' HG3' ' HG3' ' A' ' 402' ' ' GLU . 59.1 mttp -89.88 2.49 54.94 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.476 -172.871 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 404' ' ' GLY . . . . . 0.401 ' O ' HD12 ' A' ' 416' ' ' LEU . . . 103.02 17.59 17.93 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.218 -0.992 . . . . 0.0 112.786 176.783 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 71.5 m -104.71 137.66 42.18 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.273 177.703 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 406' ' ' VAL . . . . . 0.65 ' HB ' ' HD3' ' A' ' 417' ' ' LYS . 10.9 p -125.27 140.38 48.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.949 179.505 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 407' ' ' PHE . . . . . 0.516 ' HD2' ' SG ' ' A' ' 397' ' ' CYS . 37.6 t80 -84.23 130.87 34.79 Favored 'General case' 0 N--CA 1.441 -0.898 0 CA-C-O 121.446 0.641 . . . . 0.0 110.478 179.206 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 408' ' ' ASN . . . . . 0.44 ' O ' ' HA ' ' A' ' 412' ' ' ASN . 52.1 t-20 -99.53 122.5 42.68 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.397 -0.82 . . . . 0.0 108.842 179.17 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 17.4 p -91.7 -11.34 37.18 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.941 0.401 . . . . 0.0 111.383 -176.847 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -82.27 -59.27 2.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.682 176.678 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 4.4 m -77.9 -17.51 57.21 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.05 177.075 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 412' ' ' ASN . . . . . 0.44 ' HA ' ' O ' ' A' ' 408' ' ' ASN . 4.8 t30 60.88 66.59 0.89 Allowed 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.144 -0.934 . . . . 0.0 110.598 178.673 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -172.35 159.63 4.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.671 179.438 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 414' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.02 138.64 39.71 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.405 174.477 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -140.1 165.61 26.9 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.785 175.312 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.659 HD13 ' HB3' ' A' ' 383' ' ' LYS . 44.9 tp -69.42 134.65 49.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.719 0.295 . . . . 0.0 110.619 178.708 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 417' ' ' LYS . . . . . 0.65 ' HD3' ' HB ' ' A' ' 406' ' ' VAL . 44.2 tptt -67.01 94.46 0.33 Allowed 'General case' 0 C--O 1.238 0.478 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.874 -177.627 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -64.84 -35.34 80.8 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.272 -176.908 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 419' ' ' ASP . . . . . 0.418 ' HB2' ' HE3' ' A' ' 417' ' ' LYS . 7.6 m-20 -50.39 -58.03 6.63 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-O 121.513 0.673 . . . . 0.0 111.132 -178.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 68.3 t -63.0 -49.22 84.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.859 -177.775 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . 0.431 ' HA ' ' HB3' ' A' ' 424' ' ' LEU . 4.3 tmmm? -69.69 -24.35 63.57 Favored 'General case' 0 C--O 1.214 -0.802 0 C-N-CA 120.401 -0.52 . . . . 0.0 111.701 -176.803 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -65.95 -49.49 67.72 Favored 'General case' 0 C--N 1.316 -0.891 0 O-C-N 121.952 -0.467 . . . . 0.0 110.119 179.177 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 423' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 427' ' ' GLU . 6.3 ptpp? -81.79 -3.2 53.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.047 178.401 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 424' ' ' LEU . . . . . 0.431 ' HB3' ' HA ' ' A' ' 421' ' ' LYS . 8.2 tt -96.02 -39.32 9.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.764 174.414 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -63.01 -54.05 44.31 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.788 -178.61 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 22.3 ttpp -146.51 104.07 3.73 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.604 176.565 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 423' ' ' LYS . 39.6 tt0 -109.85 -34.55 6.41 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 172.672 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 4.5 p -151.47 79.93 1.29 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.554 178.834 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp -99.94 -30.7 11.86 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 170.595 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -77.39 91.93 3.91 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 114.778 -1.101 . . . . 0.0 110.339 179.214 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 431' ' ' THR . . . . . . . . . . . . . 1.9 p -86.83 24.98 1.36 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.459 0.647 . . . . 0.0 111.16 178.976 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -148.37 47.22 1.05 Allowed 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 121.703 0.763 . . . . 0.0 109.277 179.295 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -106.53 35.62 4.93 Favored Glycine 0 N--CA 1.449 -0.488 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 179.539 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 434' ' ' LYS . . . . . 0.437 ' HE3' ' HB2' ' A' ' 434' ' ' LYS . 20.5 ttmt 67.41 22.11 9.5 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 121.918 0.866 . . . . 0.0 109.475 -177.122 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 435' ' ' ASP . . . . . 0.671 ' HA ' ' HB2' ' A' ' 439' ' ' ASN . 7.5 p-10 -82.85 -136.28 0.04 OUTLIER 'General case' 0 C--O 1.236 0.38 0 CA-C-N 114.5 -1.227 . . . . 0.0 110.354 176.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 436' ' ' GLU . . . . . 0.428 ' HB2' ' O ' ' A' ' 435' ' ' ASP . 6.6 mm-40 70.06 -73.45 0.09 Allowed 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 122.95 0.5 . . . . 0.0 111.832 178.719 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 47.5 pttt -85.0 -52.91 5.64 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.068 -173.332 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -89.03 -56.53 3.25 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.12 0.486 . . . . 0.0 110.836 -177.355 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 439' ' ' ASN . . . . . 0.671 ' HB2' ' HA ' ' A' ' 435' ' ' ASP . 5.8 m-20 -88.13 120.28 29.33 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.988 179.172 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 11.6 t -90.85 -12.68 35.52 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.265 0.555 . . . . 0.0 110.612 -179.522 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 12.0 p -98.08 -69.57 0.75 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.082 -179.777 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . -171.54 -102.51 0.16 Allowed Glycine 0 N--CA 1.448 -0.566 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 179.627 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 9.6 t . . . . . 0 C--O 1.249 1.051 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 178.43 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.846 0 N-CA-C 112.28 -0.328 . . . . 0.0 112.28 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 7.3 p -94.45 -39.37 10.46 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.503 0.192 . . . . 0.0 110.922 179.106 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 373' ' ' LYS . . . . . 0.451 ' HB2' ' HE3' ' A' ' 373' ' ' LYS . 0.0 OUTLIER 54.18 -125.92 2.3 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.195 -177.206 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 374' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -165.8 166.72 17.52 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 176.754 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 375' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 58.85 81.72 0.16 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.347 0.594 . . . . 0.0 110.277 -178.189 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -93.98 20.04 8.31 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.635 -173.296 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 377' ' ' THR . . . . . . . . . . . . . 3.9 p -55.63 -54.3 45.88 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.743 -178.966 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 378' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -65.57 -46.27 80.12 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.997 -178.059 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 58.2 m -60.49 -46.83 88.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.323 -178.495 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -65.95 -38.05 87.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.697 0.284 . . . . 0.0 110.741 179.772 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -63.63 -62.56 1.58 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.814 -178.955 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 382' ' ' ASN . . . . . 0.517 ' O ' HG13 ' A' ' 386' ' ' ILE . 4.2 p30 -65.29 -33.0 74.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.523 -172.034 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 383' ' ' LYS . . . . . 0.602 ' HB3' HD22 ' A' ' 416' ' ' LEU . 5.4 mptp? -67.25 -44.46 79.35 Favored 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.273 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -58.92 -45.23 90.85 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.757 175.814 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -60.21 -39.71 87.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.21 -179.5 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 386' ' ' ILE . . . . . 0.517 HG13 ' O ' ' A' ' 382' ' ' ASN . 78.2 mt -65.67 -44.58 93.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.253 0.549 . . . . 0.0 109.762 179.891 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 59.3 m -66.42 -40.45 89.57 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.448 -0.797 . . . . 0.0 110.507 178.639 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 388' ' ' ASN . . . . . 0.432 HD22 ' N ' ' A' ' 388' ' ' ASN . 0.9 OUTLIER -79.58 -5.02 54.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.682 -179.321 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -75.7 -29.01 58.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.029 0.442 . . . . 0.0 110.022 171.015 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -85.04 -23.97 28.36 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.263 175.618 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 67.2 mttm 64.96 -91.24 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 114.629 -1.169 . . . . 0.0 111.866 173.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -129.63 14.49 5.96 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.926 0.393 . . . . 0.0 110.798 179.36 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -81.21 105.89 12.76 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.265 174.378 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 22.8 tm0? -62.55 -44.13 97.09 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 179.808 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -53.47 -51.9 61.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.277 -179.841 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 396' ' ' ALA . . . . . 0.417 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -65.82 -27.26 68.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.363 -179.298 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 27.6 t -80.63 -35.89 33.34 Favored 'General case' 0 CA--C 1.508 -0.653 0 CA-C-O 122.112 0.958 . . . . 0.0 108.499 -174.964 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 398' ' ' GLU . . . . . 0.505 ' O ' ' HB2' ' A' ' 401' ' ' LYS . 5.5 tp10 -58.74 -35.08 72.15 Favored 'General case' 0 N--CA 1.423 -1.784 0 CA-C-N 113.674 -1.603 . . . . 0.0 110.091 175.381 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -75.55 -37.03 60.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.604 175.398 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.71 ' HA ' ' HD3' ' A' ' 403' ' ' LYS . 97.5 mt -82.11 6.34 16.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.076 -179.536 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . 0.527 ' HA ' ' O ' ' A' ' 405' ' ' CYS . 9.4 tptm -46.18 -47.34 17.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.505 177.205 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -65.31 -17.32 64.42 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.663 -0.698 . . . . 0.0 112.065 -176.066 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 403' ' ' LYS . . . . . 0.71 ' HD3' ' HA ' ' A' ' 400' ' ' LEU . 3.5 mptp? -91.18 -7.53 51.17 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.841 0.353 . . . . 0.0 110.843 -173.933 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 404' ' ' GLY . . . . . 0.419 ' O ' HD12 ' A' ' 416' ' ' LEU . . . 114.14 1.05 23.82 Favored Glycine 0 N--CA 1.45 -0.403 0 N-CA-C 111.593 -0.603 . . . . 0.0 111.593 -178.804 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 405' ' ' CYS . . . . . 0.663 ' HB3' ' SG ' ' A' ' 414' ' ' CYS . 82.4 m -92.53 128.13 38.27 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.293 0.568 . . . . 0.0 111.74 -174.336 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 406' ' ' VAL . . . . . 0.478 ' CG1' ' HB3' ' A' ' 417' ' ' LYS . 12.5 p -137.36 138.86 44.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 175.536 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 407' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -70.45 129.56 39.58 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-O 121.102 0.477 . . . . 0.0 110.26 -178.071 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -112.13 111.01 21.61 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.467 -179.567 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 11.2 p -80.84 -1.89 45.06 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.685 -176.461 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -69.79 -44.83 69.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.268 0.556 . . . . 0.0 109.635 176.51 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 8.3 p -108.26 -5.68 16.7 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.401 177.511 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 7.9 t30 56.4 76.2 0.31 Allowed 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.118 -0.946 . . . . 0.0 110.52 -175.142 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -165.61 172.02 12.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.741 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 414' ' ' CYS . . . . . 0.663 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 51.1 t -93.39 117.18 29.77 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 169.745 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -128.26 153.41 46.99 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.775 0.321 . . . . 0.0 110.272 -175.122 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.602 HD22 ' HB3' ' A' ' 383' ' ' LYS . 27.2 tp -73.38 86.19 1.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 173.605 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 417' ' ' LYS . . . . . 0.521 ' HG2' ' HB ' ' A' ' 420' ' ' VAL . 0.6 OUTLIER -134.2 7.21 3.65 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.213 -176.562 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . 0.428 ' HB3' ' HE3' ' A' ' 418' ' ' LYS . 12.7 ttpp -55.98 -35.91 67.29 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-O 121.552 0.691 . . . . 0.0 110.212 176.852 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -78.35 -17.06 57.03 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 114.863 -1.062 . . . . 0.0 111.289 -174.981 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 420' ' ' VAL . . . . . 0.521 ' HB ' ' HG2' ' A' ' 417' ' ' LYS . 61.4 t -82.6 -40.64 16.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 172.011 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -59.92 -43.74 94.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.572 172.807 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 422' ' ' GLU . . . . . 0.541 ' O ' ' HB2' ' A' ' 426' ' ' LYS . 24.6 tt0 -67.39 -38.65 85.02 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.38 -1.282 . . . . 0.0 110.484 179.188 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 30.5 ttmt -56.89 -39.02 73.61 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.384 0.611 . . . . 0.0 110.452 178.48 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 424' ' ' LEU . . . . . 0.809 HD21 ' HG2' ' A' ' 432' ' ' GLU . 66.9 mt -72.83 -66.36 0.68 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.171 -0.922 . . . . 0.0 112.02 -176.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -101.88 32.5 3.4 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.203 0.525 . . . . 0.0 111.761 -172.155 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 426' ' ' LYS . . . . . 0.541 ' HB2' ' O ' ' A' ' 422' ' ' GLU . 55.4 tttm -58.8 -38.03 77.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.289 167.602 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -167.77 -42.79 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.57 -176.073 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 428' ' ' SER . . . . . 0.409 ' O ' ' HB2' ' A' ' 429' ' ' LYS . 13.2 t -177.31 -164.35 0.09 Allowed 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.709 177.759 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 429' ' ' LYS . . . . . 0.65 ' HB3' HG23 ' A' ' 431' ' ' THR . 32.9 mtmm 111.06 -69.17 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 126.441 1.896 . . . . 0.0 111.569 172.957 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 55.56 80.96 0.12 Allowed 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 121.404 0.621 . . . . 0.0 109.472 -169.796 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 431' ' ' THR . . . . . 0.65 HG23 ' HB3' ' A' ' 429' ' ' LYS . 15.2 p -115.71 2.87 13.78 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -170.523 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 432' ' ' GLU . . . . . 0.809 ' HG2' HD21 ' A' ' 424' ' ' LEU . 8.3 mm-40 -89.53 100.83 13.55 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.333 -0.547 . . . . 0.0 111.478 -172.035 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -100.75 35.73 4.65 Favored Glycine 0 N--CA 1.448 -0.542 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 175.163 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 25.9 tptp 72.72 -43.78 0.57 Allowed 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 124.322 1.049 . . . . 0.0 111.163 -177.707 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 58.2 29.37 17.87 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.506 0.504 . . . . 0.0 111.185 177.594 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -62.05 -73.02 0.11 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.815 178.499 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -150.31 12.45 0.73 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.077 174.71 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -105.75 7.71 32.61 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.173 -0.921 . . . . 0.0 112.144 -170.925 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -83.09 68.78 9.69 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.359 0.599 . . . . 0.0 110.003 179.517 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 5.1 m -89.97 -67.79 0.82 Allowed 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 174.322 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 29.6 m -111.49 -25.15 9.74 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.157 173.153 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . 145.61 -145.59 14.9 Favored Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.439 -0.801 . . . . 0.0 111.562 179.124 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.129 -0.939 . . . . 0.0 109.02 177.665 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.722 0 N-CA-C 112.433 -0.267 . . . . 0.0 112.433 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 6.6 m -109.41 42.86 1.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 110.573 -0.158 . . . . 0.0 110.573 -177.383 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm 69.86 -63.63 0.38 Allowed 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.429 0.692 . . . . 0.0 110.844 -176.556 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 374' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -102.13 159.75 15.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.455 -178.81 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 375' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 62.05 80.65 0.22 Allowed 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.637 0.732 . . . . 0.0 111.056 178.826 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -96.87 -1.14 46.59 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.875 179.422 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 377' ' ' THR . . . . . 0.542 ' O ' ' HG2' ' A' ' 381' ' ' GLU . 1.6 p -76.39 49.26 0.58 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.988 -1.005 . . . . 0.0 111.086 178.58 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 378' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -50.68 -33.9 24.48 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.289 -174.415 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 12.4 p -58.41 -53.51 57.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.064 0.459 . . . . 0.0 110.747 178.677 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -70.52 -39.01 74.32 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.668 178.977 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 381' ' ' GLU . . . . . 0.542 ' HG2' ' O ' ' A' ' 377' ' ' THR . 61.2 mm-40 -58.16 -55.25 37.44 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.244 -177.069 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 382' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -70.83 -34.32 71.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.88 -175.739 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 383' ' ' LYS . . . . . 0.409 ' HE3' ' HB3' ' A' ' 403' ' ' LYS . 12.9 mptt -63.99 -52.27 60.37 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 178.839 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -55.7 -43.05 76.08 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.975 -1.011 . . . . 0.0 110.577 178.362 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -66.25 -43.29 86.93 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.105 -178.219 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 386' ' ' ILE . . . . . . . . . . . . . 83.5 mt -69.58 -41.36 80.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.269 -178.935 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 77.7 m -58.77 -45.0 90.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.184 0.516 . . . . 0.0 109.783 174.884 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.95 -25.06 60.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.416 -177.813 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -72.91 -11.52 60.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.036 176.033 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -85.21 -15.62 43.01 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.225 -0.658 . . . . 0.0 109.225 176.775 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 66.6 mttm 59.75 -139.99 0.65 Allowed 'General case' 0 C--O 1.234 0.276 0 CA-C-N 114.806 -1.088 . . . . 0.0 111.455 174.253 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -88.81 6.33 39.45 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.764 179.938 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -75.39 99.21 4.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.044 0.45 . . . . 0.0 110.025 178.253 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -65.53 -44.87 85.55 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.915 -176.705 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -61.62 -42.31 98.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.839 0.352 . . . . 0.0 110.18 -178.631 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 396' ' ' ALA . . . . . 0.476 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -66.26 -40.03 89.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.76 179.043 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 38.9 t -62.45 -48.12 81.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.16 0.505 . . . . 0.0 110.282 177.745 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -63.94 -20.07 65.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.349 -179.429 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -71.9 -62.34 1.46 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.98 0.419 . . . . 0.0 110.229 174.486 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 1.9 pp -81.48 11.62 4.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.601 -176.551 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . 0.473 ' HG3' ' O ' ' A' ' 405' ' ' CYS . 65.8 tttt -54.62 -20.62 8.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.462 176.603 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -46.86 -40.62 14.29 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.354 173.039 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 403' ' ' LYS . . . . . 0.409 ' HB3' ' HE3' ' A' ' 383' ' ' LYS . 54.2 mttm -75.6 -16.09 60.27 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.827 -175.452 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 109.77 40.17 1.48 Allowed Glycine 0 N--CA 1.445 -0.745 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.837 -177.214 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 405' ' ' CYS . . . . . 0.572 ' HB3' ' SG ' ' A' ' 414' ' ' CYS . 72.1 m -111.54 104.77 13.2 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 -177.112 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 60.3 t -104.55 119.95 54.22 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.697 -178.678 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 407' ' ' PHE . . . . . 0.42 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 33.6 t80 -69.05 121.09 15.97 Favored 'General case' 0 N--CA 1.436 -1.134 0 C-N-CA 120.245 -0.582 . . . . 0.0 109.617 175.94 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -100.69 124.7 46.67 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 178.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 1.6 p -80.88 -29.76 35.63 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.25 0.548 . . . . 0.0 110.995 -179.719 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -71.67 -48.66 46.09 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.757 179.042 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 12.6 t -73.75 -28.84 61.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.525 0.679 . . . . 0.0 109.213 173.59 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 5.7 t30 68.43 50.83 0.69 Allowed 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 114.414 -1.266 . . . . 0.0 111.004 174.113 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -173.12 164.76 4.88 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.968 175.107 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 414' ' ' CYS . . . . . 0.572 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 42.0 t -81.38 111.78 18.06 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.966 0.412 . . . . 0.0 110.063 179.618 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -115.04 169.93 8.73 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.727 -177.692 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.794 HD22 ' HG2' ' A' ' 418' ' ' LYS . 0.9 OUTLIER -73.31 140.04 46.49 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 171.168 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 417' ' ' LYS . . . . . 0.521 ' O ' ' HD3' ' A' ' 417' ' ' LYS . 14.2 tmtt? -55.73 -8.98 0.46 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.189 0.596 . . . . 0.0 112.121 -175.674 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . 0.794 ' HG2' HD22 ' A' ' 416' ' ' LEU . 9.2 mmpt? -59.76 -18.36 42.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.714 174.731 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -79.53 -45.88 18.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.315 -0.402 . . . . 0.0 109.94 -178.275 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 87.5 t -59.56 -42.58 88.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.772 173.633 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -60.98 -44.63 97.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.812 177.509 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -67.17 -42.6 84.01 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.725 -178.027 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -62.49 -41.18 98.63 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.068 0.461 . . . . 0.0 110.391 177.764 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 58.6 tp -67.57 -27.38 66.88 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.451 178.101 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -76.18 -43.45 42.47 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.57 178.873 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -77.08 -20.89 55.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.961 0.41 . . . . 0.0 110.948 -178.791 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -140.19 77.41 1.61 Allowed 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 179.837 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 7.5 m -58.57 94.88 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.962 178.067 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 44.2 mtpt -99.14 41.63 1.14 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.274 0.559 . . . . 0.0 111.832 -175.861 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -119.26 49.26 1.36 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.821 0.82 . . . . 0.0 109.41 173.419 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 431' ' ' THR . . . . . . . . . . . . . 7.0 m -86.94 67.15 9.72 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 114.594 -1.184 . . . . 0.0 109.798 -175.621 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -60.52 171.32 1.13 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 114.673 -1.148 . . . . 0.0 111.34 177.6 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 127.13 -28.33 4.6 Favored Glycine 0 N--CA 1.448 -0.506 0 N-CA-C 110.681 -0.967 . . . . 0.0 110.681 -173.145 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 434' ' ' LYS . . . . . 0.533 ' HG3' ' HG2' ' A' ' 436' ' ' GLU . 21.0 ptmt -103.22 171.49 7.34 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 174.433 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -103.45 85.41 2.46 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 120.976 0.417 . . . . 0.0 110.497 -177.933 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 436' ' ' GLU . . . . . 0.533 ' HG2' ' HG3' ' A' ' 434' ' ' LYS . 5.7 mm-40 -81.99 -75.73 0.28 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.892 -178.965 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -106.96 -38.99 5.89 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.749 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -73.81 150.48 41.02 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.928 175.92 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 63.32 64.99 0.79 Allowed 'General case' 0 C--N 1.327 -0.37 0 O-C-N 123.809 0.693 . . . . 0.0 110.757 -174.079 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 9.9 t -85.14 6.01 27.5 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.804 0.811 . . . . 0.0 108.939 174.559 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 5.9 p -84.39 1.54 44.77 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 114.799 -1.091 . . . . 0.0 110.978 178.377 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . -176.48 178.93 47.75 Favored Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 178.328 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 70.1 m . . . . . 0 C--O 1.249 1.07 0 CA-C-O 117.795 -1.098 . . . . 0.0 111.861 179.445 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.83 0 N-CA-C 111.838 -0.505 . . . . 0.0 111.838 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 51.0 m -89.34 115.07 26.53 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.779 0.29 . . . . 0.0 111.255 -177.669 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 51.1 tttp 74.17 -51.07 0.69 Allowed 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.544 0.737 . . . . 0.0 111.31 176.491 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 374' ' ' LYS . . . . . . . . . . . . . 47.8 mttp -98.71 92.48 5.6 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.804 0.335 . . . . 0.0 110.55 -179.478 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 375' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -113.22 -59.28 2.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.133 175.695 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -61.93 117.44 5.93 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.272 179.963 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 377' ' ' THR . . . . . . . . . . . . . 14.9 t -101.13 -4.7 26.8 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.89 177.888 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 378' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -49.35 -48.18 46.84 Favored 'General case' 0 N--CA 1.461 0.094 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.711 -179.34 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 12.5 m -48.3 -60.01 2.99 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 123.715 0.634 . . . . 0.0 111.781 -174.305 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -69.96 -36.44 75.23 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.935 0.398 . . . . 0.0 110.819 -178.591 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -65.68 -55.83 15.34 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.315 -174.71 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 382' ' ' ASN . . . . . 0.496 ' O ' HG13 ' A' ' 386' ' ' ILE . 1.5 p30 -73.64 -40.41 63.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.253 -173.222 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -59.41 -50.81 72.52 Favored 'General case' 0 CA--C 1.52 -0.211 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.318 -179.791 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 384' ' ' GLU . . . . . 0.428 ' HG3' HD12 ' A' ' 416' ' ' LEU . 22.7 mt-10 -60.1 -44.24 94.97 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.307 177.693 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 8.2 tmtm? -59.44 -34.99 73.19 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.725 0.297 . . . . 0.0 111.363 -178.26 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 386' ' ' ILE . . . . . 0.496 HG13 ' O ' ' A' ' 382' ' ' ASN . 88.1 mt -65.77 -41.97 91.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.26 0.552 . . . . 0.0 109.545 178.29 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 14.3 m -70.74 -43.57 68.59 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.311 -0.858 . . . . 0.0 110.547 178.211 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -64.45 -26.66 68.54 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.861 -0.608 . . . . 0.0 111.103 -176.613 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -67.18 -23.9 65.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.733 178.738 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -79.38 -32.97 43.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.033 0.444 . . . . 0.0 110.27 -177.918 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm 57.45 -109.77 0.5 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.817 176.444 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -86.73 -18.36 31.34 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.291 -176.784 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -77.31 98.64 5.26 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.596 0.712 . . . . 0.0 111.782 -172.741 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -58.92 -36.69 75.14 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 114.5 -1.227 . . . . 0.0 110.573 177.011 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -66.04 -45.69 80.54 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.153 -178.683 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 396' ' ' ALA . . . . . 0.547 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -62.49 -39.17 92.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.265 178.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 49.1 t -62.56 -48.34 79.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.357 178.948 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 398' ' ' GLU . . . . . 0.606 ' HA ' ' HB2' ' A' ' 401' ' ' LYS . 7.2 mm-40 -65.99 -21.25 66.39 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.69 -179.186 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -70.84 -53.35 15.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.083 0.468 . . . . 0.0 110.539 175.505 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 1.3 pp -90.86 12.2 20.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.348 0.594 . . . . 0.0 110.81 -179.014 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . 0.606 ' HB2' ' HA ' ' A' ' 398' ' ' GLU . 3.3 tttp -53.19 -37.33 61.85 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.935 -1.03 . . . . 0.0 111.117 178.454 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -57.75 -28.77 64.23 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.51 -178.333 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 57.4 mttm -80.66 -2.18 45.55 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.009 -173.833 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 404' ' ' GLY . . . . . 0.993 ' HA2' ' HE2' ' A' ' 417' ' ' LYS . . . 114.75 29.22 2.7 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.987 176.795 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 405' ' ' CYS . . . . . 0.538 ' O ' ' HG2' ' A' ' 401' ' ' LYS . 95.1 m -113.56 148.49 36.02 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.718 0.294 . . . . 0.0 111.165 -176.934 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 406' ' ' VAL . . . . . 0.503 ' HB ' ' HA ' ' A' ' 417' ' ' LYS . 42.1 t -145.48 130.46 12.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.293 174.634 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 407' ' ' PHE . . . . . 0.537 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 28.2 t80 -77.11 124.09 27.32 Favored 'General case' 0 N--CA 1.441 -0.889 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 179.429 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -104.86 106.34 16.79 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 -178.651 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 7.2 p -70.55 -12.72 61.75 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.368 -177.933 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -67.18 -56.39 10.11 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.104 178.819 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 8.6 p -90.96 -10.89 40.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.893 179.648 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 6.0 t30 63.21 70.2 0.55 Allowed 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.41 -0.813 . . . . 0.0 110.502 -178.648 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 5.3 ptmm? -178.1 152.28 0.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.698 177.159 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 414' ' ' CYS . . . . . 0.537 ' HA ' ' HA ' ' A' ' 407' ' ' PHE . 49.9 t -82.59 118.81 23.57 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.084 177.012 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -121.92 176.42 5.79 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.733 -177.836 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.428 HD12 ' HG3' ' A' ' 384' ' ' GLU . 1.0 OUTLIER -60.72 135.42 57.76 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 174.695 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 417' ' ' LYS . . . . . 0.993 ' HE2' ' HA2' ' A' ' 404' ' ' GLY . 0.1 OUTLIER -44.33 112.15 0.38 Allowed 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.577 0.703 . . . . 0.0 112.665 -173.522 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -51.9 -61.42 2.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.046 -1.434 . . . . 0.0 112.937 -174.974 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -61.07 -57.37 12.82 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.295 -0.866 . . . . 0.0 112.799 -170.902 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 420' ' ' VAL . . . . . 0.543 ' HB ' ' HD3' ' A' ' 417' ' ' LYS . 57.1 t -63.89 -47.04 92.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.642 -174.096 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . 0.484 ' HD3' ' HG2' ' A' ' 425' ' ' GLU . 16.2 tppt? -64.9 -34.05 77.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.613 0.244 . . . . 0.0 110.865 -178.501 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -57.54 -55.79 30.3 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.281 0.563 . . . . 0.0 110.464 176.846 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -84.76 0.79 49.4 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.484 -174.333 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 41.4 tp -89.01 -41.85 12.11 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 176.074 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 425' ' ' GLU . . . . . 0.484 ' HG2' ' HD3' ' A' ' 421' ' ' LYS . 21.7 mm-40 -79.82 -49.83 11.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.112 178.378 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -95.31 38.98 1.12 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.009 -177.46 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -68.89 -41.33 78.44 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 174.638 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 20.4 m 57.36 40.3 27.66 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 115.294 -0.866 . . . . 0.0 112.273 171.872 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -94.77 -35.2 12.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.794 0.33 . . . . 0.0 111.147 -179.204 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -83.9 8.81 13.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.002 0.429 . . . . 0.0 111.171 -174.368 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 431' ' ' THR . . . . . . . . . . . . . 11.1 t -106.96 -5.83 17.93 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.621 178.45 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -132.54 0.6 3.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.943 0.878 . . . . 0.0 109.82 175.879 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -99.22 59.03 0.84 Allowed Glycine 0 N--CA 1.446 -0.668 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.066 176.346 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -107.39 105.11 14.89 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.97 0.414 . . . . 0.0 110.334 -176.78 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 435' ' ' ASP . . . . . 0.472 ' HB2' ' HB3' ' A' ' 439' ' ' ASN . 5.2 p-10 -105.58 -11.57 16.3 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.997 178.231 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 436' ' ' GLU . . . . . 0.469 ' O ' ' HB3' ' A' ' 437' ' ' LYS . 5.2 mm-40 71.14 -64.7 0.37 Allowed 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.839 -178.123 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 437' ' ' LYS . . . . . 0.469 ' HB3' ' O ' ' A' ' 436' ' ' GLU . 19.5 pttp 173.64 -19.1 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.704 0.628 . . . . 0.0 110.981 176.077 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -122.86 2.55 9.42 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.605 0.595 . . . . 0.0 112.605 -175.148 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 439' ' ' ASN . . . . . 0.472 ' HB3' ' HB2' ' A' ' 435' ' ' ASP . 61.9 t30 -72.31 104.92 3.87 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.586 -0.446 . . . . 0.0 109.798 -179.838 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 18.9 m -76.27 -69.65 0.49 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.768 -176.858 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 12.1 p -121.24 101.61 7.76 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.127 0.489 . . . . 0.0 110.31 178.788 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . -130.36 178.33 17.66 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.509 -0.853 . . . . 0.0 112.848 -176.251 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 42.8 t . . . . . 0 C--O 1.246 0.871 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 -177.925 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.697 0 N-CA-C 111.833 -0.507 . . . . 0.0 111.833 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 13.6 t -111.84 -169.18 1.42 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.672 0.272 . . . . 0.0 110.325 -179.831 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -76.42 118.75 19.42 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.338 -179.012 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 374' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -104.38 118.31 36.3 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.527 179.521 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 375' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -94.64 135.41 36.15 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.375 178.432 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -72.05 117.71 14.01 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.373 178.406 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 377' ' ' THR . . . . . . . . . . . . . 17.6 p -121.85 153.2 38.68 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -172.654 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 378' ' ' GLU . . . . . 0.592 ' O ' ' HB3' ' A' ' 382' ' ' ASN . 8.3 tp10 -44.85 -64.67 0.65 Allowed 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 123.759 0.824 . . . . 0.0 112.402 -179.259 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 379' ' ' SER . . . . . 0.589 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 5.2 p -60.05 -62.22 2.03 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -172.321 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -60.85 -44.25 97.23 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -174.262 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -80.23 -48.53 12.94 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.502 -0.479 . . . . 0.0 111.133 -171.196 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 382' ' ' ASN . . . . . 0.592 ' HB3' ' O ' ' A' ' 378' ' ' GLU . 0.0 OUTLIER -66.45 -31.22 71.83 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -177.388 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 383' ' ' LYS . . . . . 0.589 ' HB2' ' O ' ' A' ' 379' ' ' SER . 11.6 mptt -66.74 -43.08 85.09 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 176.586 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 384' ' ' GLU . . . . . 0.887 ' HG2' ' HB2' ' A' ' 416' ' ' LEU . 48.9 mt-10 -66.08 -39.18 89.82 Favored 'General case' 0 C--O 1.217 -0.633 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.308 175.146 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 50.8 tptt -59.78 -48.43 81.72 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 123.065 0.228 . . . . 0.0 111.462 -178.471 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 386' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 382' ' ' ASN . 80.8 mt -58.46 -45.57 89.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 121.204 0.526 . . . . 0.0 110.281 178.529 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 387' ' ' CYS . . . . . 0.49 ' SG ' ' HB2' ' A' ' 414' ' ' CYS . 18.7 t -65.76 -47.5 75.0 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.537 179.062 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -67.14 -21.66 65.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.558 -177.55 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -64.44 -19.02 65.28 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -179.47 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 390' ' ' ALA . . . . . 0.707 ' HB3' ' SG ' ' A' ' 414' ' ' CYS . . . -84.7 -18.06 36.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.415 0.626 . . . . 0.0 109.596 178.549 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 391' ' ' LYS . . . . . 0.567 ' O ' ' HA ' ' A' ' 413' ' ' LYS . 93.4 mttt 58.63 -114.75 0.77 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 114.732 -1.122 . . . . 0.0 112.323 173.722 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -98.5 0.69 45.61 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 -172.505 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -89.83 93.37 9.41 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 178.795 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 394' ' ' GLN . . . . . 0.544 ' O ' ' HG2' ' A' ' 398' ' ' GLU . 60.5 tt0 -55.63 -39.12 70.41 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.98 -175.681 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -57.38 -40.58 78.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.736 0.303 . . . . 0.0 110.909 -179.209 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 396' ' ' ALA . . . . . 0.474 ' HB3' ' HB1' ' A' ' 390' ' ' ALA . . . -66.66 -38.68 87.34 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.419 -179.218 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . 0.627 ' SG ' ' HD2' ' A' ' 407' ' ' PHE . 2.3 m -63.5 -50.74 68.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.715 0.769 . . . . 0.0 109.704 177.901 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 398' ' ' GLU . . . . . 0.601 ' HA ' ' HD3' ' A' ' 401' ' ' LYS . 14.5 mm-40 -67.54 -17.66 64.74 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.037 -178.244 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -68.91 -51.74 36.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.134 0.492 . . . . 0.0 110.261 173.792 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.471 ' HB2' ' HD2' ' A' ' 403' ' ' LYS . 1.5 pp -94.11 18.61 10.48 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.337 178.847 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . 0.601 ' HD3' ' HA ' ' A' ' 398' ' ' GLU . 23.7 tptp -39.42 -52.24 2.09 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 114.395 -1.275 . . . . 0.0 113.184 176.708 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -72.0 -1.91 16.31 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 121.042 0.449 . . . . 0.0 112.151 -170.772 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 403' ' ' LYS . . . . . 0.471 ' HD2' ' HB2' ' A' ' 400' ' ' LEU . 96.7 mttt -85.59 3.71 39.46 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.078 0.466 . . . . 0.0 109.952 175.882 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 101.66 32.25 5.18 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.557 -179.694 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 405' ' ' CYS . . . . . . . . . . . . . 42.9 t -119.51 154.93 33.07 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.785 0.326 . . . . 0.0 110.791 -173.864 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 3.5 p -163.31 127.54 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 175.905 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 407' ' ' PHE . . . . . 0.886 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 50.7 t80 -60.62 124.14 19.5 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 121.431 0.634 . . . . 0.0 110.748 -179.471 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 408' ' ' ASN . . . . . 0.621 ' HB2' ' HB2' ' A' ' 415' ' ' GLU . 34.7 t30 -102.73 95.87 6.48 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.153 -0.931 . . . . 0.0 109.407 -178.464 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 2.8 p -61.7 -25.45 67.42 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.536 -176.561 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -72.06 -20.58 61.65 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.85 -177.876 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 22.9 t -114.5 -7.17 12.84 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.925 176.753 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 67.2 t30 64.97 28.58 12.54 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.505 -179.85 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 413' ' ' LYS . . . . . 0.567 ' HA ' ' O ' ' A' ' 391' ' ' LYS . 23.3 pttp -153.09 153.58 33.13 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.7 176.272 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 414' ' ' CYS . . . . . 0.886 ' HA ' ' HA ' ' A' ' 407' ' ' PHE . 0.0 OUTLIER -65.33 134.46 53.6 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 178.469 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 415' ' ' GLU . . . . . 0.621 ' HB2' ' HB2' ' A' ' 408' ' ' ASN . 2.3 tp10 -119.84 152.43 37.33 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.294 -177.081 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.887 ' HB2' ' HG2' ' A' ' 384' ' ' GLU . 2.3 tt -59.78 125.88 25.39 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 174.136 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 57.3 tttp -55.24 110.77 0.73 Allowed 'General case' 0 N--CA 1.446 -0.625 0 CA-C-O 120.933 0.397 . . . . 0.0 109.998 179.748 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -62.06 -20.81 64.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.669 -173.075 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -63.48 -38.63 91.88 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.579 174.364 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 50.2 t -80.15 -35.81 16.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.935 -176.556 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -62.37 -49.94 73.56 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-O 121.755 0.788 . . . . 0.0 109.719 178.582 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -62.14 -45.81 91.8 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 114.511 -1.222 . . . . 0.0 110.398 176.815 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 29.1 ttpp -61.21 -35.71 77.93 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.888 178.902 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 65.2 tp -58.59 -49.68 76.57 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.896 -179.027 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -75.98 -10.63 59.58 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 120.253 -0.579 . . . . 0.0 111.116 -179.424 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -86.82 -58.52 2.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.94 0.4 . . . . 0.0 111.015 175.338 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -67.68 -27.95 67.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.881 -0.599 . . . . 0.0 112.452 -170.383 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 6.1 p -64.43 -17.93 64.26 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -176.26 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -82.66 -28.39 30.69 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.987 0.422 . . . . 0.0 110.925 -179.627 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -94.47 81.78 3.97 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.304 0.573 . . . . 0.0 110.811 -176.515 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 431' ' ' THR . . . . . . . . . . . . . 8.9 t -119.17 -28.77 5.38 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.023 174.647 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -88.93 157.15 18.5 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 176.596 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 119.3 28.02 2.07 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 121.016 -0.611 . . . . 0.0 111.879 -177.763 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -139.08 118.72 13.04 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.82 0.343 . . . . 0.0 110.731 -178.076 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -76.68 112.86 13.69 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 172.161 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.51 -30.37 12.2 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -172.123 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -85.98 -73.72 0.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.841 0.353 . . . . 0.0 110.148 176.348 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . 173.16 51.45 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 106.875 -1.528 . . . . 0.0 106.875 -177.0 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 39.7 m-20 -88.07 145.58 25.89 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.593 -1.185 . . . . 0.0 112.103 -163.641 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -133.65 4.88 3.65 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.66 -1.155 . . . . 0.0 109.113 171.634 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 2.6 p -109.68 3.49 21.02 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.936 -1.029 . . . . 0.0 111.825 -175.322 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . 109.23 -136.84 13.83 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.509 -0.853 . . . . 0.0 112.27 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 26.7 t . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.525 -0.75 . . . . 0.0 109.23 -178.517 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.95 0 N-CA-C 112.403 -0.279 . . . . 0.0 112.403 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 66.7 m 58.85 86.41 0.09 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.303 0.573 . . . . 0.0 111.387 -179.886 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -75.0 147.96 40.31 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.002 -178.151 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 374' ' ' LYS . . . . . 0.471 ' O ' ' HB2' ' A' ' 375' ' ' GLN . 68.3 mttm 63.03 -85.28 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.329 0 O-C-N 123.808 0.692 . . . . 0.0 109.765 -170.01 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 375' ' ' GLN . . . . . 0.68 ' HG2' HG22 ' A' ' 377' ' ' THR . 32.7 tt0 170.62 -68.45 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 178.324 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 53.78 33.83 17.79 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 114.918 -1.037 . . . . 0.0 112.336 170.669 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 377' ' ' THR . . . . . 0.68 HG22 ' HG2' ' A' ' 375' ' ' GLN . 9.9 t -117.86 159.65 22.74 Favored 'General case' 0 C--O 1.241 0.653 0 CA-C-O 120.872 0.368 . . . . 0.0 110.828 -177.658 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 378' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 63.85 168.54 0.16 Allowed 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.679 179.736 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 379' ' ' SER . . . . . 0.8 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 87.8 p -61.71 -27.52 68.76 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-N 116.822 -0.172 . . . . 0.0 111.423 -172.621 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -63.6 -57.2 10.86 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.609 0.242 . . . . 0.0 111.349 179.914 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -80.12 -37.78 32.89 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.233 -0.587 . . . . 0.0 111.103 -170.629 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 382' ' ' ASN . . . . . 0.627 ' ND2' ' HA ' ' A' ' 379' ' ' SER . 1.1 p30 -75.37 -26.31 58.4 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.311 -0.556 . . . . 0.0 110.849 -176.467 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 383' ' ' LYS . . . . . 0.8 ' HB2' ' O ' ' A' ' 379' ' ' SER . 0.1 OUTLIER -67.89 -53.03 29.71 Favored 'General case' 0 CA--C 1.51 -0.587 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 174.959 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -53.26 -43.07 67.12 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.115 -0.948 . . . . 0.0 111.127 -179.831 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 385' ' ' LYS . . . . . 0.409 ' HD3' ' O ' ' A' ' 385' ' ' LYS . 1.6 tmtp? -61.23 -48.39 81.72 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.025 179.301 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 386' ' ' ILE . . . . . . . . . . . . . 75.5 mt -64.9 -40.59 89.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.31 -178.437 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 387' ' ' CYS . . . . . 0.474 ' O ' ' HB3' ' A' ' 414' ' ' CYS . 65.0 m -59.55 -45.44 91.82 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.001 175.42 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -74.17 -18.23 60.81 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.076 -177.712 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -73.31 -14.83 61.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.164 0.507 . . . . 0.0 110.373 174.712 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 390' ' ' ALA . . . . . 0.566 ' HB2' HD21 ' A' ' 400' ' ' LEU . . . -87.1 -27.38 23.15 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 175.215 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp 61.89 -150.9 0.38 Allowed 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.612 178.029 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 392' ' ' ASP . . . . . 0.577 ' HA ' ' HA ' ' A' ' 413' ' ' LYS . 4.3 p30 -79.32 4.69 14.46 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.845 0.355 . . . . 0.0 111.176 -178.595 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -72.71 107.85 5.39 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 175.481 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.72 -39.03 80.63 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.272 -176.294 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -60.61 -43.46 97.43 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.712 -0.222 . . . . 0.0 110.494 178.517 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 396' ' ' ALA . . . . . 0.523 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -61.42 -38.4 86.97 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.94 0.4 . . . . 0.0 110.381 177.892 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 15.3 t -66.38 -43.61 85.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.016 177.736 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -52.88 -42.0 64.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.247 174.759 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -59.52 -47.15 86.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 -179.113 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.566 HD21 ' HB2' ' A' ' 390' ' ' ALA . 1.4 pp -103.44 19.75 19.14 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.767 -175.64 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . 0.67 ' HD3' ' O ' ' A' ' 405' ' ' CYS . 4.4 tppp? -57.23 -37.99 73.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.96 177.049 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -78.08 4.62 11.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.445 -178.464 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 54.5 mttp -102.14 8.68 40.63 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.995 0.426 . . . . 0.0 110.635 177.487 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 98.21 5.82 57.01 Favored Glycine 0 N--CA 1.451 -0.363 0 CA-C-N 115.767 -0.651 . . . . 0.0 113.025 175.586 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 405' ' ' CYS . . . . . 0.677 ' HB3' ' SG ' ' A' ' 414' ' ' CYS . 91.7 m -91.05 137.34 32.44 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.832 0.349 . . . . 0.0 110.981 -179.208 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 406' ' ' VAL . . . . . 0.476 ' CG2' ' HB2' ' A' ' 417' ' ' LYS . 97.4 t -129.46 135.02 62.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.534 179.865 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 407' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -70.74 130.6 42.17 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.111 0.482 . . . . 0.0 110.764 -178.764 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 52.6 t-20 -103.14 123.56 46.92 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.116 178.575 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 11.9 p -81.43 -36.86 28.95 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.858 -177.51 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -71.99 -45.03 62.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.698 -178.405 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 16.2 m -81.03 -24.6 37.78 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.267 177.457 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 54.9 t30 64.52 71.86 0.46 Allowed 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.714 0.769 . . . . 0.0 110.058 177.469 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 413' ' ' LYS . . . . . 0.577 ' HA ' ' HA ' ' A' ' 392' ' ' ASP . 17.2 ptpt 177.63 158.76 0.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.671 -1.15 . . . . 0.0 108.864 -176.74 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 414' ' ' CYS . . . . . 0.677 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 11.4 t -77.04 125.71 29.78 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 172.27 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -136.61 153.6 50.9 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.819 0.342 . . . . 0.0 111.059 -172.007 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.54 HD13 ' HB3' ' A' ' 383' ' ' LYS . 67.7 tp -68.39 119.15 12.43 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 174.53 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 417' ' ' LYS . . . . . 0.476 ' HB2' ' CG2' ' A' ' 406' ' ' VAL . 21.0 tptp -62.16 101.0 0.19 Allowed 'General case' 0 C--O 1.236 0.382 0 O-C-N 123.387 0.429 . . . . 0.0 110.367 -176.366 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . 0.496 ' C ' ' HD2' ' A' ' 418' ' ' LYS . 1.2 tmmt? -56.18 -47.65 77.89 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.794 -175.09 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -56.9 -34.87 68.35 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.691 -173.058 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 46.4 t -79.16 -42.44 23.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.552 -178.644 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . 0.419 ' HD3' ' HA ' ' A' ' 421' ' ' LYS . 7.2 tppt? -71.48 -40.25 70.36 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.126 0.489 . . . . 0.0 110.403 -178.207 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -58.68 -50.31 74.34 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.787 178.228 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -82.6 -0.4 46.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.858 0.361 . . . . 0.0 111.664 -178.388 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 53.6 tp -87.14 -47.96 8.45 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 169.374 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -70.92 -45.94 63.37 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.108 -179.63 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 25.6 ttmt -94.3 141.46 28.54 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.67 -174.626 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . 0.427 ' C ' ' H ' ' A' ' 429' ' ' LYS . 12.1 pt-20 -81.56 8.26 10.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.879 -176.561 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 21.4 m -76.23 24.62 0.13 Allowed 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 121.155 0.503 . . . . 0.0 111.213 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 429' ' ' LYS . . . . . 0.427 ' H ' ' C ' ' A' ' 427' ' ' GLU . 14.7 ptmt -93.03 -15.21 26.41 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.804 179.612 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -86.49 93.24 9.1 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.922 179.659 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 431' ' ' THR . . . . . . . . . . . . . 5.8 m 52.74 81.19 0.09 Allowed 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.952 -177.431 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -62.1 103.87 0.42 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.688 0.756 . . . . 0.0 112.021 -172.08 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -97.81 70.28 0.7 Allowed Glycine 0 N--CA 1.444 -0.778 0 N-CA-C 110.323 -1.111 . . . . 0.0 110.323 174.374 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 434' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 435' ' ' ASP . 18.8 pttp -127.55 166.46 17.97 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.818 0.342 . . . . 0.0 110.758 -173.258 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 435' ' ' ASP . . . . . 0.407 ' O ' ' HG3' ' A' ' 434' ' ' LYS . 3.5 p30 -82.89 178.39 8.19 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 168.075 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -85.84 -78.42 0.27 Allowed 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 119.706 -0.798 . . . . 0.0 109.84 178.966 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 31.0 mtpp -124.9 4.42 8.05 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 170.398 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -179.16 148.42 0.37 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 113.904 -1.498 . . . . 0.0 108.079 -178.547 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 439' ' ' ASN . . . . . 0.402 ' HB2' ' HB3' ' A' ' 435' ' ' ASP . 26.7 t-20 -102.36 -31.64 10.4 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.303 0.573 . . . . 0.0 109.769 177.944 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 16.9 p -64.93 -53.12 51.45 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.745 175.839 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 41.1 p 50.0 90.08 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.338 -0.846 . . . . 0.0 112.056 -179.999 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . 122.2 -52.66 0.75 Allowed Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.898 -0.668 . . . . 0.0 111.829 178.929 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 22.8 t . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.357 -0.83 . . . . 0.0 109.348 178.819 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.691 0 N-CA-C 111.775 -0.53 . . . . 0.0 111.775 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 21.3 t -164.96 -172.27 2.52 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 -179.727 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -72.38 -14.1 61.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.288 0.566 . . . . 0.0 110.186 179.448 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 374' ' ' LYS . . . . . 0.494 ' O ' ' HB2' ' A' ' 375' ' ' GLN . 63.3 tttp -118.54 119.43 34.5 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.286 -0.87 . . . . 0.0 108.983 176.815 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 375' ' ' GLN . . . . . 0.494 ' HB2' ' O ' ' A' ' 374' ' ' LYS . 72.6 mm-40 73.24 150.2 0.1 Allowed 'General case' 0 N--CA 1.469 0.481 0 O-C-N 123.784 0.677 . . . . 0.0 111.194 -176.493 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 73.12 -15.54 0.52 Allowed 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.825 0.85 . . . . 0.0 110.98 -179.125 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 377' ' ' THR . . . . . 0.445 ' H ' ' C ' ' A' ' 375' ' ' GLN . 0.8 OUTLIER -98.91 -3.08 36.02 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.727 176.329 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 378' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.79 -24.97 67.97 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.601 -177.419 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 379' ' ' SER . . . . . 0.444 ' HA ' ' ND2' ' A' ' 382' ' ' ASN . 19.8 m -59.9 -42.36 93.66 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.282 176.373 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 380' ' ' ALA . . . . . 0.486 ' HB1' ' HD3' ' A' ' 418' ' ' LYS . . . -75.69 -35.07 60.42 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.292 177.391 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -66.51 -46.25 76.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.778 -178.842 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 382' ' ' ASN . . . . . 0.528 ' O ' HG13 ' A' ' 386' ' ' ILE . 4.0 p30 -72.9 -34.52 66.69 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.607 -177.426 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 383' ' ' LYS . . . . . 0.444 ' HB3' HD13 ' A' ' 416' ' ' LEU . 1.4 mptm? -63.96 -44.68 92.04 Favored 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 177.367 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -53.28 -43.31 67.39 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.732 -1.122 . . . . 0.0 110.138 175.62 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -68.19 -35.61 78.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.299 -179.811 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 386' ' ' ILE . . . . . 0.528 HG13 ' O ' ' A' ' 382' ' ' ASN . 82.4 mt -64.32 -43.44 97.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.381 0.61 . . . . 0.0 109.565 179.419 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 22.0 m -63.21 -39.47 94.71 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.231 176.88 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 388' ' ' ASN . . . . . 0.432 ' O ' ' HG3' ' A' ' 391' ' ' LYS . 0.9 OUTLIER -70.31 -19.52 63.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.384 179.446 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -72.06 -21.83 61.47 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.757 0.313 . . . . 0.0 111.242 175.06 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -91.66 -41.08 10.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.915 0.388 . . . . 0.0 110.857 -178.932 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 391' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' A' ' 388' ' ' ASN . 62.6 mttp 57.72 -104.18 0.21 Allowed 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.896 179.034 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -100.76 -3.47 29.99 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.73 0.3 . . . . 0.0 111.168 -174.813 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 45.2 t-20 -78.84 91.47 4.75 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 179.154 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -59.78 -40.54 88.62 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.296 -0.866 . . . . 0.0 111.679 -177.596 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . 0.45 ' O ' ' HB3' ' A' ' 399' ' ' ASN . 0.1 OUTLIER -61.15 -48.27 82.37 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -179.3 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 396' ' ' ALA . . . . . 0.718 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -59.53 -42.94 93.43 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.103 177.09 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 41.9 t -57.8 -56.34 23.28 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.962 179.214 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 398' ' ' GLU . . . . . 0.554 ' HA ' ' HB2' ' A' ' 401' ' ' LYS . 41.0 mt-10 -61.92 -32.9 73.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.11 0.481 . . . . 0.0 110.966 -179.434 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 399' ' ' ASN . . . . . 0.45 ' HB3' ' O ' ' A' ' 395' ' ' LYS . 0.0 OUTLIER -67.21 -28.49 68.12 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.033 179.91 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.718 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 3.2 pp -115.8 17.38 16.1 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-O 121.12 0.486 . . . . 0.0 111.059 176.774 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . 0.554 ' HB2' ' HA ' ' A' ' 398' ' ' GLU . 13.6 tmtt? -56.22 -29.65 61.28 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.616 178.132 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -50.3 -32.8 17.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.8 177.016 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -75.98 -14.93 60.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.715 -0.22 . . . . 0.0 111.364 -175.946 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 120.93 -0.53 11.85 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.302 179.268 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 405' ' ' CYS . . . . . 0.52 ' O ' ' HG2' ' A' ' 401' ' ' LYS . 73.4 m -81.3 117.62 21.94 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.09 0.471 . . . . 0.0 111.116 -178.763 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 406' ' ' VAL . . . . . 0.413 HG22 ' HE2' ' A' ' 401' ' ' LYS . 34.8 t -114.46 129.59 70.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.372 178.897 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 407' ' ' PHE . . . . . 0.472 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 29.2 t80 -71.16 125.04 25.86 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-O 121.302 0.573 . . . . 0.0 109.849 179.212 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 408' ' ' ASN . . . . . 0.512 ' O ' ' HA ' ' A' ' 412' ' ' ASN . 13.8 t-20 -98.53 128.03 44.69 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.865 -178.414 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 11.7 p -90.33 -17.73 26.81 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.738 0.304 . . . . 0.0 111.575 -179.043 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -61.79 -57.56 11.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.653 -177.867 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 47.1 m -96.7 -11.62 24.88 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.604 174.288 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 412' ' ' ASN . . . . . 0.512 ' HA ' ' O ' ' A' ' 408' ' ' ASN . 6.8 t30 66.62 75.63 0.32 Allowed 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.488 176.341 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 17.5 ptmt -172.39 156.52 3.79 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.919 -1.037 . . . . 0.0 109.166 -179.251 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 414' ' ' CYS . . . . . 0.509 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 45.2 t -89.0 117.06 27.74 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 178.859 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -131.49 171.34 13.53 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 178.641 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.623 ' HG ' ' H ' ' A' ' 418' ' ' LYS . 47.6 tp -78.9 144.77 34.58 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 -176.836 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 417' ' ' LYS . . . . . 0.571 ' HG3' ' HE3' ' A' ' 421' ' ' LYS . 58.7 tptt -56.45 -23.78 41.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.175 179.064 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . 0.623 ' H ' ' HG ' ' A' ' 416' ' ' LEU . 18.4 ttpp -49.66 -42.08 44.43 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.4 174.299 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 419' ' ' ASP . . . . . 0.406 ' O ' ' HG3' ' A' ' 423' ' ' LYS . 4.2 m-20 -77.76 -36.76 50.31 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 114.91 -1.041 . . . . 0.0 110.992 -171.434 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 21.4 t -62.65 -43.81 98.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.659 176.393 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . 0.571 ' HE3' ' HG3' ' A' ' 417' ' ' LYS . 99.5 mttt -64.97 -45.39 85.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.639 176.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -55.68 -48.74 74.55 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.26 -178.516 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 423' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 419' ' ' ASP . 93.9 mttt -66.4 -29.48 69.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.104 0.478 . . . . 0.0 110.753 179.636 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 50.6 tp -72.79 -45.65 57.4 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.343 178.574 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -60.95 -47.27 87.19 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.354 179.586 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -84.75 16.03 3.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.692 -173.811 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -95.31 6.97 47.58 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.575 0.703 . . . . 0.0 109.504 174.082 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 4.1 p -72.07 -36.9 69.68 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.903 178.894 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 37.8 mtmm 64.25 87.14 0.12 Allowed 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 123.11 0.564 . . . . 0.0 111.745 175.344 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 68.45 8.99 7.01 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.015 177.549 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 431' ' ' THR . . . . . . . . . . . . . 20.5 p 46.69 78.65 0.07 Allowed 'General case' 0 C--O 1.234 0.239 0 C-N-CA 123.592 0.757 . . . . 0.0 112.191 -178.104 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -70.09 100.78 1.7 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.396 0.617 . . . . 0.0 109.901 177.816 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . 0.501 ' O ' ' HG3' ' A' ' 436' ' ' GLU . . . 143.59 -61.11 0.51 Allowed Glycine 0 N--CA 1.444 -0.804 0 CA-C-N 115.318 -0.856 . . . . 0.0 111.216 -176.739 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 60.1 mttm 59.41 -93.73 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 122.611 0.365 . . . . 0.0 110.772 -179.832 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -142.78 70.53 1.32 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.859 176.297 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 436' ' ' GLU . . . . . 0.501 ' HG3' ' O ' ' A' ' 433' ' ' GLY . 43.2 mt-10 -73.18 -62.62 1.4 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 175.697 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -132.46 76.6 1.7 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.733 174.947 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . 72.19 -10.6 0.88 Allowed 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.147 -0.933 . . . . 0.0 112.653 179.16 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 54.2 t30 67.36 -75.08 0.06 Allowed 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 123.145 0.578 . . . . 0.0 110.601 -177.669 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 16.1 p -137.08 -64.06 0.58 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.091 177.252 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 32.8 p 45.71 59.18 3.79 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 123.239 0.616 . . . . 0.0 111.516 -176.84 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . 92.52 154.95 31.51 Favored Glycine 0 N--CA 1.448 -0.518 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.951 -177.729 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 49.1 m . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.424 178.117 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.827 0 N-CA-C 112.05 -0.42 . . . . 0.0 112.05 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 6.0 p -141.36 99.17 3.51 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.744 0.307 . . . . 0.0 111.023 178.927 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 373' ' ' LYS . . . . . 0.848 ' HB2' ' HB3' ' A' ' 376' ' ' GLN . 0.0 OUTLIER -77.92 155.64 30.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.769 179.193 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 374' ' ' LYS . . . . . . . . . . . . . 54.3 tttp -115.2 99.06 7.14 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.011 175.866 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 375' ' ' GLN . . . . . . . . . . . . . 39.2 tp60 69.75 3.44 4.27 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.744 0.818 . . . . 0.0 111.535 179.577 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 376' ' ' GLN . . . . . 0.848 ' HB3' ' HB2' ' A' ' 373' ' ' LYS . 7.3 tt0 -80.4 75.35 7.24 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.5 0.666 . . . . 0.0 109.457 176.027 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 377' ' ' THR . . . . . . . . . . . . . 9.3 t -123.54 -16.47 6.76 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.74 -177.337 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 378' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -65.37 -46.42 80.19 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.056 0.455 . . . . 0.0 110.167 -179.215 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 379' ' ' SER . . . . . 0.639 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 23.2 p -57.97 -49.1 77.94 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.677 178.781 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 380' ' ' ALA . . . . . 0.564 ' O ' ' HB2' ' A' ' 384' ' ' GLU . . . -57.4 -44.68 84.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.151 179.492 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -64.55 -56.23 15.36 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.625 -177.955 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 382' ' ' ASN . . . . . 0.55 ' O ' HG13 ' A' ' 386' ' ' ILE . 2.2 p30 -77.11 -36.38 55.59 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -171.631 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 383' ' ' LYS . . . . . 0.639 ' HB2' ' O ' ' A' ' 379' ' ' SER . 13.8 mptt -69.27 -42.74 75.13 Favored 'General case' 0 CA--C 1.52 -0.2 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.446 -178.91 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 384' ' ' GLU . . . . . 0.564 ' HB2' ' O ' ' A' ' 380' ' ' ALA . 11.0 mm-40 -59.45 -44.23 93.0 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-N 116.235 -0.439 . . . . 0.0 109.969 174.865 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.01 -33.82 69.35 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.801 0.334 . . . . 0.0 111.005 -179.776 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 386' ' ' ILE . . . . . 0.68 HG22 HD13 ' A' ' 400' ' ' LEU . 87.3 mt -65.75 -40.21 87.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.394 0.616 . . . . 0.0 109.596 178.769 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 75.3 m -74.63 -44.88 48.33 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.193 178.176 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -66.92 -29.12 68.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.928 -174.902 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -67.54 -16.11 64.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.889 0.376 . . . . 0.0 111.271 178.578 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -98.41 -25.89 14.65 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.694 178.236 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 97.3 mttt 61.39 -89.2 0.03 OUTLIER 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.438 -178.958 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -121.56 11.2 10.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.85 -175.422 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -80.97 90.54 5.96 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.075 -0.65 . . . . 0.0 110.184 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 394' ' ' GLN . . . . . 0.498 ' O ' ' HG3' ' A' ' 398' ' ' GLU . 48.2 tt0 -52.09 -49.84 62.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.591 -0.731 . . . . 0.0 112.057 -178.264 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 47.6 tttp -59.48 -45.14 92.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.822 -171.742 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 396' ' ' ALA . . . . . 0.444 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -63.92 -34.2 77.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.64 0.733 . . . . 0.0 110.153 -179.665 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 81.6 m -78.6 -28.93 45.78 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.432 -178.692 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 398' ' ' GLU . . . . . 0.592 ' O ' ' HB2' ' A' ' 401' ' ' LYS . 45.3 mt-10 -64.81 -26.92 68.55 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.045 0.45 . . . . 0.0 110.089 171.772 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -74.83 -31.23 61.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.458 0.647 . . . . 0.0 109.519 173.041 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.68 HD13 HG22 ' A' ' 386' ' ' ILE . 29.3 mt -88.71 -0.63 57.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.765 178.872 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . 0.592 ' HB2' ' O ' ' A' ' 398' ' ' GLU . 4.6 tmtp? -55.25 -44.84 75.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.26 -174.803 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -69.45 -15.86 63.36 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.969 -176.292 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -83.73 -6.45 59.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.886 178.385 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 106.61 -2.71 36.55 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.705 -0.76 . . . . 0.0 111.933 -179.017 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 405' ' ' CYS . . . . . 0.55 ' O ' ' HA ' ' A' ' 401' ' ' LYS . 22.9 t -85.07 111.94 20.2 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 179.763 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 61.9 t -111.68 125.68 69.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.362 -176.659 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 407' ' ' PHE . . . . . 0.534 ' HD2' ' SG ' ' A' ' 414' ' ' CYS . 34.0 t80 -71.7 119.25 15.59 Favored 'General case' 0 N--CA 1.436 -1.13 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 170.576 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -107.68 106.14 16.32 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.719 -175.132 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -65.26 -22.83 66.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.694 0.283 . . . . 0.0 111.402 -178.735 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -62.04 -36.15 80.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.397 0.618 . . . . 0.0 110.096 171.874 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 12.4 t -98.77 -12.17 21.16 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.148 -176.546 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 8.9 t30 55.91 35.57 25.71 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.266 -176.999 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 10.2 ptpp? -160.17 167.49 27.54 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.88 178.074 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 414' ' ' CYS . . . . . 0.534 ' SG ' ' HD2' ' A' ' 407' ' ' PHE . 35.3 m -77.87 122.85 26.01 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.689 173.774 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -134.84 132.42 38.59 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 -174.273 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.442 HD13 ' HB3' ' A' ' 383' ' ' LYS . 64.3 tp -57.16 138.23 54.86 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.105 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -57.02 97.53 0.02 OUTLIER 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.742 0.782 . . . . 0.0 111.65 -175.701 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -53.83 -36.96 63.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.383 -1.281 . . . . 0.0 112.375 -178.626 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -71.8 -30.3 65.38 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.755 -173.954 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 67.3 t -75.33 -41.01 43.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 174.891 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 5.6 tppp? -57.25 -45.65 83.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.205 0.526 . . . . 0.0 110.227 176.703 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -53.69 -54.79 32.95 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.879 178.268 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -70.36 -27.78 64.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.805 -177.234 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 29.3 tp -76.73 -39.61 51.27 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.961 -176.528 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 425' ' ' GLU . . . . . 0.516 ' HB2' ' HB3' ' A' ' 373' ' ' LYS . 14.7 pt-20 -81.98 -11.36 58.89 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.208 178.44 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 426' ' ' LYS . . . . . 0.534 ' HE2' HG21 ' A' ' 431' ' ' THR . 81.1 tttt -61.85 -36.38 81.04 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.189 173.687 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -68.99 -16.45 63.73 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.01 -178.302 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 68.6 m -70.9 -4.63 25.46 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.65 0.262 . . . . 0.0 111.595 179.534 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -106.53 -2.91 21.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.339 174.788 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 53.67 93.82 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.345 0 O-C-N 124.156 0.91 . . . . 0.0 111.75 -175.653 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 431' ' ' THR . . . . . 0.534 HG21 ' HE2' ' A' ' 426' ' ' LYS . 8.5 t -141.05 23.3 2.22 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.318 -0.855 . . . . 0.0 108.812 177.657 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 65.21 -175.51 0.18 Allowed 'General case' 0 C--O 1.235 0.295 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.775 -175.493 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -129.89 111.91 1.24 Allowed Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.029 -179.405 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -124.65 179.47 4.96 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.849 0.357 . . . . 0.0 110.288 178.949 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 435' ' ' ASP . . . . . 0.838 ' HA ' ' HB3' ' A' ' 439' ' ' ASN . 13.1 p-10 -88.82 104.56 17.04 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.403 0.621 . . . . 0.0 110.432 179.106 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -60.48 -60.6 3.55 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.878 0.847 . . . . 0.0 109.097 176.337 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -157.44 105.3 2.06 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.169 -1.378 . . . . 0.0 108.593 176.16 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . 57.6 35.16 25.43 Favored 'General case' 0 C--O 1.234 0.245 0 O-C-N 123.549 0.531 . . . . 0.0 110.861 -179.099 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 439' ' ' ASN . . . . . 0.838 ' HB3' ' HA ' ' A' ' 435' ' ' ASP . 53.9 t30 -80.05 91.12 5.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.552 -177.562 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 8.7 m -87.39 -18.68 29.46 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.376 0.608 . . . . 0.0 110.344 179.2 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 8.3 m -82.15 89.85 6.52 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.799 -179.433 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . -69.41 -63.08 3.55 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.729 -0.748 . . . . 0.0 111.378 176.481 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 68.1 m . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.827 -0.606 . . . . 0.0 109.559 176.024 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.957 0 N-CA-C 112.649 -0.18 . . . . 0.0 112.649 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 36.8 t -67.21 -50.03 62.38 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.969 0.414 . . . . 0.0 110.581 179.153 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -107.57 141.86 38.38 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.529 179.563 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 374' ' ' LYS . . . . . . . . . . . . . 43.1 mmtm -79.61 165.14 23.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.552 177.857 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 375' ' ' GLN . . . . . 0.614 ' NE2' ' H ' ' A' ' 375' ' ' GLN . 0.9 OUTLIER -98.46 144.6 27.63 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.101 0.477 . . . . 0.0 110.886 179.803 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -141.44 150.08 41.83 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.52 -0.764 . . . . 0.0 108.954 177.82 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 377' ' ' THR . . . . . . . . . . . . . 72.4 p 58.44 111.37 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.263 1.025 . . . . 0.0 112.352 -178.06 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 378' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -53.41 -46.78 69.87 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 114.88 -1.055 . . . . 0.0 111.437 -177.395 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 379' ' ' SER . . . . . 0.524 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 16.8 m -64.72 -39.22 93.28 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.892 -173.179 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 380' ' ' ALA . . . . . 0.473 ' HB2' ' HE3' ' A' ' 421' ' ' LYS . . . -69.26 -42.04 76.12 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.875 0.369 . . . . 0.0 110.433 178.332 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -58.88 -64.0 1.09 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.65 -179.123 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 382' ' ' ASN . . . . . 0.571 ' O ' HG13 ' A' ' 386' ' ' ILE . 2.9 p30 -70.05 -35.02 73.95 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -170.384 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 383' ' ' LYS . . . . . 0.524 ' HB2' ' O ' ' A' ' 379' ' ' SER . 14.0 mptt -69.32 -40.38 77.64 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.072 0.463 . . . . 0.0 110.505 -177.162 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 384' ' ' GLU . . . . . 0.506 ' HA ' ' HB2' ' A' ' 416' ' ' LEU . 17.7 tt0 -69.78 -31.26 69.1 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.643 -179.404 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -72.32 -27.54 62.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.694 176.493 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 386' ' ' ILE . . . . . 0.571 HG13 ' O ' ' A' ' 382' ' ' ASN . 68.7 mt -67.86 -45.96 83.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 177.718 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 24.6 m -67.68 -32.55 73.28 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.531 176.943 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.47 -23.74 62.75 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.137 178.01 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -66.85 -19.33 65.72 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.888 0.375 . . . . 0.0 110.889 176.087 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -81.29 -25.92 36.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.122 0.487 . . . . 0.0 109.827 178.598 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 95.1 mttt 59.91 -138.2 0.68 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.964 175.822 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 392' ' ' ASP . . . . . 0.445 ' HA ' ' HA ' ' A' ' 413' ' ' LYS . 4.6 p-10 -81.02 9.12 7.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.541 -177.411 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -94.35 99.51 11.71 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.717 179.756 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 394' ' ' GLN . . . . . 0.427 ' O ' ' HG2' ' A' ' 398' ' ' GLU . 10.3 tt0 -65.89 -38.75 89.59 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.373 178.33 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -59.71 -45.7 91.33 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 121.021 0.439 . . . . 0.0 110.172 -177.351 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 396' ' ' ALA . . . . . 0.459 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -62.65 -40.74 98.0 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.516 178.912 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . 0.523 ' HA ' HD11 ' A' ' 400' ' ' LEU . 2.0 t -71.38 -38.07 71.55 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.595 -177.589 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 398' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 394' ' ' GLN . 26.2 mm-40 -57.53 -34.32 69.0 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.833 0.349 . . . . 0.0 111.019 175.768 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -69.61 -41.13 76.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.499 179.075 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.523 HD11 ' HA ' ' A' ' 397' ' ' CYS . 2.0 pp -100.15 15.09 28.57 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.178 0.513 . . . . 0.0 111.328 179.983 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . 0.458 ' HG3' ' O ' ' A' ' 405' ' ' CYS . 79.5 tttt -68.11 -13.01 61.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.374 -177.666 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 402' ' ' GLU . . . . . 0.761 ' HG3' ' HD2' ' A' ' 403' ' ' LYS . 8.7 pt-20 -57.59 -19.42 25.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.598 177.621 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 403' ' ' LYS . . . . . 0.761 ' HD2' ' HG3' ' A' ' 402' ' ' GLU . 0.8 OUTLIER -77.99 -53.5 7.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.73 0.3 . . . . 0.0 110.352 176.602 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 404' ' ' GLY . . . . . 0.465 ' O ' HD12 ' A' ' 416' ' ' LEU . . . 148.56 47.51 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.582 -0.818 . . . . 0.0 111.954 177.097 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 405' ' ' CYS . . . . . 0.458 ' O ' ' HG3' ' A' ' 401' ' ' LYS . 53.6 m -106.15 148.35 27.96 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 120.696 0.284 . . . . 0.0 110.411 -175.955 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 406' ' ' VAL . . . . . 0.631 HG11 ' HD3' ' A' ' 417' ' ' LYS . 8.7 p -133.89 131.71 56.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 178.128 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 407' ' ' PHE . . . . . 0.628 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 30.3 t80 -84.76 124.28 31.37 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-O 120.872 0.367 . . . . 0.0 110.114 -179.582 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -99.33 109.59 22.19 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 178.259 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 8.8 p -70.42 -18.63 63.02 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.767 -174.276 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -75.11 -43.07 54.88 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.397 -177.274 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 21.1 p -85.48 -18.46 33.47 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 174.177 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 6.0 t30 64.35 53.28 1.72 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 114.761 -1.109 . . . . 0.0 109.97 -179.226 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 413' ' ' LYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 392' ' ' ASP . 62.1 pttt -164.41 163.75 22.21 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.604 173.515 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 414' ' ' CYS . . . . . 0.628 ' HA ' ' HA ' ' A' ' 407' ' ' PHE . 14.5 t -99.59 137.9 37.43 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.962 0.411 . . . . 0.0 111.072 -175.566 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -133.64 160.92 36.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.786 -178.039 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.642 ' O ' ' HE2' ' A' ' 418' ' ' LYS . 18.2 tp -69.06 134.29 49.2 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.762 0.315 . . . . 0.0 110.244 178.149 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 417' ' ' LYS . . . . . 0.631 ' HD3' HG11 ' A' ' 406' ' ' VAL . 21.9 tptm -87.58 108.6 19.14 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 176.562 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . 0.642 ' HE2' ' O ' ' A' ' 416' ' ' LEU . 0.0 OUTLIER -62.01 -27.86 69.17 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.432 -177.297 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -62.39 -38.51 89.89 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.936 174.047 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 58.2 t -75.96 -39.85 37.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.077 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . 0.473 ' HE3' ' HB2' ' A' ' 380' ' ' ALA . 58.4 tttm -56.26 -37.94 70.48 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.548 0.689 . . . . 0.0 110.046 174.543 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -60.59 -47.94 83.99 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.737 -1.119 . . . . 0.0 110.768 176.884 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.94 -13.83 59.74 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.582 -178.252 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 58.0 tp -79.98 -60.42 2.35 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.278 178.611 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -79.74 -36.03 37.9 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.221 -178.97 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt 58.75 37.26 25.06 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 121.085 0.469 . . . . 0.0 110.061 -175.577 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 73.81 -36.29 0.34 Allowed 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 114.692 -1.14 . . . . 0.0 111.914 179.452 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 36.7 m -131.72 98.59 4.52 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 120.781 0.324 . . . . 0.0 110.538 -178.113 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 429' ' ' LYS . . . . . 0.428 ' C ' ' H ' ' A' ' 431' ' ' THR . 0.4 OUTLIER -99.86 6.95 45.26 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.083 178.503 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 70.55 -18.21 0.26 Allowed 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.399 0.68 . . . . 0.0 112.583 171.995 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 431' ' ' THR . . . . . 0.428 ' H ' ' C ' ' A' ' 429' ' ' LYS . 30.8 m 79.01 -49.71 0.43 Allowed 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 123.573 0.749 . . . . 0.0 110.828 177.531 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -108.94 11.31 26.06 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.534 0.683 . . . . 0.0 109.232 178.093 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -78.1 66.06 3.2 Favored Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 115.348 -0.842 . . . . 0.0 112.619 -177.533 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 434' ' ' LYS . . . . . 0.405 ' C ' ' H ' ' A' ' 436' ' ' GLU . 20.7 tptm -139.93 -57.81 0.56 Allowed 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.751 -0.462 . . . . 0.0 109.751 176.333 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 435' ' ' ASP . . . . . 0.402 ' HB3' ' O ' ' A' ' 434' ' ' LYS . 16.9 t70 74.85 -33.59 0.25 Allowed 'General case' 0 N--CA 1.473 0.681 0 O-C-N 123.832 0.708 . . . . 0.0 111.93 174.601 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 436' ' ' GLU . . . . . 0.405 ' H ' ' C ' ' A' ' 434' ' ' LYS . 42.6 mt-10 64.57 -96.26 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 122.996 0.518 . . . . 0.0 110.01 -177.819 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -138.52 3.27 2.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.616 0.246 . . . . 0.0 110.422 177.253 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . 178.1 -49.51 0.01 OUTLIER 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.871 -177.488 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 56.98 89.19 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.995 -173.485 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 2.2 p -99.37 25.09 7.28 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.999 -0.546 . . . . 0.0 112.434 -173.892 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 63.7 m 67.19 108.14 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 121.414 0.626 . . . . 0.0 111.455 -179.121 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . 170.58 -38.29 0.18 Allowed Glycine 0 N--CA 1.449 -0.466 0 N-CA-C 111.437 -0.665 . . . . 0.0 111.437 -179.911 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 38.4 t . . . . . 0 C--O 1.247 0.925 0 CA-C-O 118.546 -0.74 . . . . 0.0 109.211 177.087 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.902 0 N-CA-C 111.96 -0.456 . . . . 0.0 111.96 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 17.8 m -89.91 25.12 2.18 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -174.711 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -148.71 140.91 24.03 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.838 -0.345 . . . . 0.0 111.064 178.027 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 374' ' ' LYS . . . . . . . . . . . . . 51.4 tttm 69.26 120.25 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.365 0 O-C-N 124.43 1.081 . . . . 0.0 111.916 -179.749 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 375' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -88.3 -176.31 5.32 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.775 176.342 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -103.11 110.9 23.01 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.214 0.53 . . . . 0.0 110.439 178.273 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 377' ' ' THR . . . . . . . . . . . . . 1.9 p -91.19 12.3 20.56 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.992 175.385 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 378' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -48.23 -46.46 35.37 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 114.849 -1.069 . . . . 0.0 112.302 -176.94 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 379' ' ' SER . . . . . 0.684 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 14.2 m -56.82 -48.12 78.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.681 -179.4 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 380' ' ' ALA . . . . . 0.587 ' HB2' ' HE2' ' A' ' 421' ' ' LYS . . . -67.9 -42.12 81.64 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.259 -179.14 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -64.55 -47.49 78.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.617 -174.309 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 382' ' ' ASN . . . . . 0.543 ' O ' HG13 ' A' ' 386' ' ' ILE . 1.8 p30 -77.85 -33.15 52.33 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.869 -177.109 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 383' ' ' LYS . . . . . 0.684 ' HB2' ' O ' ' A' ' 379' ' ' SER . 12.2 mptt -70.48 -46.09 64.43 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-O 121.272 0.558 . . . . 0.0 109.849 -176.976 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -61.18 -39.25 89.44 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.153 -0.931 . . . . 0.0 109.611 178.145 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.59 -37.14 77.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.633 176.658 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 386' ' ' ILE . . . . . 0.598 HG21 ' HG2' ' A' ' 403' ' ' LYS . 94.7 mt -67.34 -43.51 87.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.254 0.549 . . . . 0.0 109.858 179.034 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 34.5 m -65.48 -37.77 87.8 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.273 176.639 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -69.99 -22.29 63.15 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.686 179.042 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -67.63 -16.49 64.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.857 0.36 . . . . 0.0 111.076 174.928 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -90.94 -18.46 24.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.672 176.103 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 60.7 mttp 59.11 -123.98 1.27 Allowed 'General case' 0 C--O 1.232 0.153 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.625 177.452 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -99.23 11.2 39.75 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.878 -175.677 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 393' ' ' ASN . . . . . 0.404 ' OD1' ' HB3' ' A' ' 395' ' ' LYS . 44.2 t-20 -94.48 114.04 25.98 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.19 0.519 . . . . 0.0 109.967 179.976 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -72.13 -39.56 68.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.798 -176.764 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . 0.404 ' HB3' ' OD1' ' A' ' 393' ' ' ASN . 75.4 tttt -56.18 -53.59 55.27 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.046 175.768 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 396' ' ' ALA . . . . . 0.425 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -60.75 -38.15 84.2 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.782 179.35 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 53.6 t -57.43 -53.62 56.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.731 178.64 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 398' ' ' GLU . . . . . 0.923 ' HA ' ' HB2' ' A' ' 401' ' ' LYS . 14.6 mt-10 -69.15 -14.9 63.25 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.911 -178.258 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 399' ' ' ASN . . . . . 0.414 ' ND2' ' HA ' ' A' ' 396' ' ' ALA . 94.9 m-20 -70.48 -38.76 74.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.763 0.316 . . . . 0.0 110.356 173.511 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 1.4 pp -107.46 13.87 26.45 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.467 0.651 . . . . 0.0 111.116 179.687 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . 0.923 ' HB2' ' HA ' ' A' ' 398' ' ' GLU . 85.6 tttt -55.8 -27.71 52.55 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.812 -1.086 . . . . 0.0 113.685 -177.807 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.02 -17.34 51.68 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -178.465 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 403' ' ' LYS . . . . . 0.598 ' HG2' HG21 ' A' ' 386' ' ' ILE . 13.2 mptt -74.16 -19.3 60.6 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.979 0.419 . . . . 0.0 110.222 176.769 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 404' ' ' GLY . . . . . 0.505 ' O ' HD12 ' A' ' 416' ' ' LEU . . . 116.28 37.22 1.03 Allowed Glycine 0 N--CA 1.447 -0.604 0 N-CA-C 111.27 -0.732 . . . . 0.0 111.27 -178.912 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 405' ' ' CYS . . . . . 0.672 ' HB2' ' HA ' ' A' ' 401' ' ' LYS . 82.4 m -103.06 133.79 47.58 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-O 121.171 0.51 . . . . 0.0 110.912 -170.687 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 406' ' ' VAL . . . . . 0.863 HG11 ' HD3' ' A' ' 417' ' ' LYS . 13.1 p -130.55 134.07 62.7 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.607 177.546 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 407' ' ' PHE . . . . . 0.41 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 28.0 t80 -81.8 120.33 25.02 Favored 'General case' 0 N--CA 1.433 -1.288 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 175.794 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 408' ' ' ASN . . . . . 0.453 HD21 ' HG2' ' A' ' 410' ' ' GLU . 3.2 t-20 -103.11 114.68 29.18 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.578 -177.311 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 15.6 p -63.59 -27.62 69.37 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.161 0.505 . . . . 0.0 111.383 -178.944 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 410' ' ' GLU . . . . . 0.453 ' HG2' HD21 ' A' ' 408' ' ' ASN . 3.4 mm-40 -76.69 -37.74 55.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.161 -177.133 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 41.2 t -88.44 -19.67 26.21 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.184 178.569 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 68.09 23.65 7.99 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.337 178.799 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 43.1 mttp -139.16 165.8 26.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.373 -179.115 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 414' ' ' CYS . . . . . 0.602 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 40.8 t -91.37 120.85 32.58 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 168.564 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -135.1 167.25 21.32 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.755 0.312 . . . . 0.0 110.752 -178.973 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.505 HD12 ' O ' ' A' ' 404' ' ' GLY . 44.9 tp -70.47 129.63 39.76 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.735 176.748 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 417' ' ' LYS . . . . . 0.863 ' HD3' HG11 ' A' ' 406' ' ' VAL . 24.4 tptp -61.92 109.78 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.895 0.379 . . . . 0.0 110.198 -178.826 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . 0.636 ' HE2' ' HA ' ' A' ' 418' ' ' LYS . 11.8 mmpt? -54.99 -38.69 68.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.588 -177.887 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -58.13 -51.15 70.9 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.354 -1.294 . . . . 0.0 111.596 179.886 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 92.7 t -66.05 -54.77 23.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.216 -176.223 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . 0.587 ' HE2' ' HB2' ' A' ' 380' ' ' ALA . 5.7 tmtm? -52.86 -44.07 66.54 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.178 0.513 . . . . 0.0 111.878 -175.36 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -74.57 -49.14 22.95 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.52 -175.375 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 423' ' ' LYS . . . . . 0.409 ' O ' ' HG2' ' A' ' 427' ' ' GLU . 59.7 mtpt -84.25 -6.29 59.37 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -172.452 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 64.7 tp -92.49 -49.32 6.19 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 175.009 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -83.18 -66.99 0.82 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.066 0.46 . . . . 0.0 111.57 -177.592 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 55.5 tttp -92.56 61.34 3.69 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.221 0.534 . . . . 0.0 111.691 -167.485 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 423' ' ' LYS . 0.0 OUTLIER -120.94 -24.89 5.49 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.932 170.494 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 89.2 p 173.08 -36.17 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.87 173.94 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -87.21 31.45 0.72 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.036 -0.529 . . . . 0.0 112.388 -174.316 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -51.94 -64.52 0.79 Allowed 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 173.406 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 431' ' ' THR . . . . . . . . . . . . . 4.7 p -146.04 5.94 1.0 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.371 -0.831 . . . . 0.0 108.805 163.283 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -87.18 98.59 11.39 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.418 -174.464 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 108.54 -30.21 9.09 Favored Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 110.608 -0.997 . . . . 0.0 110.608 -173.263 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 52.4 mttm 67.89 -73.33 0.08 Allowed 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.539 0.736 . . . . 0.0 112.231 175.335 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 435' ' ' ASP . . . . . 0.845 ' HB3' ' HB3' ' A' ' 439' ' ' ASN . 19.2 m-20 -79.63 74.56 6.3 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.778 -0.647 . . . . 0.0 112.289 -171.162 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 37.97 -99.46 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.714 0 O-C-N 124.361 1.038 . . . . 0.0 113.255 174.1 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 58.3 tttp -142.32 97.24 3.09 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.419 177.917 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . 56.69 80.65 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.211 -178.424 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 439' ' ' ASN . . . . . 0.845 ' HB3' ' HB3' ' A' ' 435' ' ' ASP . 51.5 t30 -102.34 149.68 24.09 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 175.414 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 26.9 m 71.15 108.41 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 -172.339 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 10.7 p -53.01 -43.37 66.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.266 -173.925 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . 162.28 -157.12 28.95 Favored Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.303 178.977 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 16.6 m . . . . . 0 C--O 1.244 0.811 0 CA-C-O 118.594 -0.717 . . . . 0.0 110.192 -178.08 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.771 0 N-CA-C 111.691 -0.564 . . . . 0.0 111.691 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 50.5 m -147.93 105.15 3.64 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.982 0.42 . . . . 0.0 110.743 178.181 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 373' ' ' LYS . . . . . 0.407 ' H ' ' HG2' ' A' ' 373' ' ' LYS . 51.4 pttt -82.11 -4.62 57.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.528 177.303 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 374' ' ' LYS . . . . . . . . . . . . . 26.6 mmmt -138.91 162.67 34.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.423 -0.808 . . . . 0.0 108.923 174.683 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 375' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 65.84 -178.24 0.19 Allowed 'General case' 0 N--CA 1.466 0.329 0 O-C-N 123.59 0.557 . . . . 0.0 111.288 -176.196 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 72.03 -56.77 0.64 Allowed 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.446 0.698 . . . . 0.0 112.394 179.015 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 377' ' ' THR . . . . . . . . . . . . . 16.9 p -70.34 95.57 1.04 Allowed 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.515 179.78 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 378' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -58.55 -34.17 70.73 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.707 -177.491 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 379' ' ' SER . . . . . 0.682 ' HB2' HD13 ' A' ' 424' ' ' LEU . 14.4 p -59.25 -68.28 0.29 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.604 -178.888 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -65.77 -38.5 89.23 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.167 -0.469 . . . . 0.0 112.171 -174.884 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -74.83 -52.96 10.03 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.879 0.371 . . . . 0.0 110.994 -170.98 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 382' ' ' ASN . . . . . 0.454 ' O ' HG13 ' A' ' 386' ' ' ILE . 0.0 OUTLIER -70.15 -29.22 66.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.931 -176.263 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 383' ' ' LYS . . . . . 0.599 ' HB2' ' O ' ' A' ' 379' ' ' SER . 12.0 tptt -63.97 -49.46 72.42 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 178.391 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -57.38 -39.36 75.9 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.259 175.463 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 3.5 tmtp? -57.98 -43.31 86.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.474 179.654 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 386' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 382' ' ' ASN . 76.2 mt -64.16 -41.74 93.38 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-O 121.319 0.58 . . . . 0.0 109.705 -179.063 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 387' ' ' CYS . . . . . 0.413 ' O ' ' HB3' ' A' ' 414' ' ' CYS . 34.5 m -67.41 -41.97 84.04 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.69 178.279 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -66.22 -30.43 70.88 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.804 0.335 . . . . 0.0 110.146 179.561 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -71.34 -4.98 29.06 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.877 178.475 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 390' ' ' ALA . . . . . 0.408 ' HB2' HD21 ' A' ' 400' ' ' LEU . . . -93.43 -14.12 27.15 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 176.482 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt 61.85 -149.65 0.39 Allowed 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.417 175.79 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 392' ' ' ASP . . . . . 0.42 ' HB3' ' HD3' ' A' ' 413' ' ' LYS . 3.7 p-10 -89.81 7.2 38.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.767 178.412 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -80.43 101.75 9.22 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.736 175.98 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 394' ' ' GLN . . . . . 0.561 ' O ' ' HG2' ' A' ' 398' ' ' GLU . 34.2 tt0 -63.64 -35.68 81.33 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.949 -177.442 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -60.63 -45.4 94.19 Favored 'General case' 0 C--O 1.233 0.204 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 -177.463 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 396' ' ' ALA . . . . . 0.607 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -60.82 -44.74 96.5 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.403 176.775 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 31.6 t -61.52 -50.4 72.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.813 179.819 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 398' ' ' GLU . . . . . 0.561 ' HG2' ' O ' ' A' ' 394' ' ' GLN . 70.0 mm-40 -53.54 -40.37 65.47 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.159 0.504 . . . . 0.0 110.908 178.476 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -74.21 -24.59 59.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.734 -0.666 . . . . 0.0 112.27 -174.153 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.607 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 2.7 pp -112.12 11.58 20.41 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 121.866 -0.521 . . . . 0.0 111.293 176.355 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . . . . . . . . . 23.5 ttpp -61.77 -25.71 67.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.181 -178.025 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 402' ' ' GLU . . . . . 0.526 ' OE1' ' HG3' ' A' ' 403' ' ' LYS . 0.5 OUTLIER -65.93 -5.22 8.66 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -179.909 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 403' ' ' LYS . . . . . 0.526 ' HG3' ' OE1' ' A' ' 402' ' ' GLU . 53.6 mttp -97.43 -1.24 44.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.638 -0.255 . . . . 0.0 111.382 174.121 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 106.83 23.04 7.31 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.991 176.768 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 405' ' ' CYS . . . . . 0.514 ' HB3' ' SG ' ' A' ' 414' ' ' CYS . 74.9 m -109.07 110.22 21.43 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.857 0.36 . . . . 0.0 110.722 -179.575 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 406' ' ' VAL . . . . . 0.574 HG21 ' HD3' ' A' ' 417' ' ' LYS . 58.2 t -111.06 129.88 65.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.787 -179.465 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 407' ' ' PHE . . . . . 0.467 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 47.2 t80 -64.36 130.62 44.5 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-O 121.201 0.524 . . . . 0.0 110.633 -178.448 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -109.03 108.42 19.13 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.971 -178.586 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 1.1 p -68.61 -22.3 64.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.457 -178.433 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -56.91 -49.49 75.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.602 178.153 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 20.7 t -99.41 -8.75 24.33 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.02 0.438 . . . . 0.0 110.039 178.796 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 4.7 t30 61.62 41.81 11.81 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.687 -176.917 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 413' ' ' LYS . . . . . 0.42 ' HD3' ' HB3' ' A' ' 392' ' ' ASP . 72.9 mmtt -142.12 159.62 41.87 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.27 179.364 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 414' ' ' CYS . . . . . 0.514 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 48.3 t -78.04 127.59 32.56 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 176.344 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -124.63 151.54 44.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.04 -171.842 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.497 HD22 ' HB3' ' A' ' 383' ' ' LYS . 50.9 tp -71.4 129.18 38.18 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 176.045 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 417' ' ' LYS . . . . . 0.574 ' HD3' HG21 ' A' ' 406' ' ' VAL . 50.6 tptt -58.55 114.23 2.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.72 176.424 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . 0.569 ' HA ' ' HB3' ' A' ' 421' ' ' LYS . 54.8 mtmt -69.99 -17.13 63.27 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.88 0.372 . . . . 0.0 111.272 -175.969 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -68.83 -48.04 64.53 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.84 172.215 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 420' ' ' VAL . . . . . 0.538 HG12 HD23 ' A' ' 424' ' ' LEU . 64.0 t -66.79 -41.25 87.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.758 176.479 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . 0.569 ' HB3' ' HA ' ' A' ' 418' ' ' LYS . 19.2 ttmm -53.0 -47.77 68.02 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.748 175.655 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -54.05 -48.94 70.05 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.68 178.383 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -64.12 -46.01 86.06 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.137 -178.841 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 424' ' ' LEU . . . . . 0.942 ' HA ' ' HG2' ' A' ' 427' ' ' GLU . 4.1 pp -74.81 -28.29 60.65 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -175.5 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 425' ' ' GLU . . . . . 0.513 ' N ' HD12 ' A' ' 424' ' ' LEU . 30.3 mt-10 -67.03 -34.9 78.71 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.588 178.181 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 16.1 ttpp -125.62 60.24 1.26 Allowed 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.202 174.059 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . 0.942 ' HG2' ' HA ' ' A' ' 424' ' ' LEU . 4.0 mm-40 -64.13 -75.03 0.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.1 177.464 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 428' ' ' SER . . . . . 0.526 ' O ' ' HA3' ' A' ' 433' ' ' GLY . 48.9 m -146.49 -54.63 0.25 Allowed 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.077 177.607 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 429' ' ' LYS . . . . . 0.503 ' HA ' ' HA3' ' A' ' 433' ' ' GLY . 0.6 OUTLIER -167.22 92.69 0.42 Allowed 'General case' 0 CA--C 1.531 0.221 0 CA-C-O 121.456 0.646 . . . . 0.0 110.849 179.746 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -108.63 -70.91 0.78 Allowed 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 173.847 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 431' ' ' THR . . . . . . . . . . . . . 26.2 m -76.34 -51.29 12.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.221 0.534 . . . . 0.0 110.062 173.44 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -165.57 111.57 0.9 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.523 -0.918 . . . . 0.0 108.523 179.651 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . 0.526 ' HA3' ' O ' ' A' ' 428' ' ' SER . . . -135.26 87.46 0.24 Allowed Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.121 -1.038 . . . . 0.0 113.773 -172.681 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 434' ' ' LYS . . . . . 0.574 ' O ' ' HB2' ' A' ' 439' ' ' ASN . 64.9 mmtt -149.25 58.57 1.02 Allowed 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 172.685 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -93.84 -119.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -172.318 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -69.38 109.16 4.04 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 113.552 0.945 . . . . 0.0 113.552 -162.817 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 37.4 tttp 60.69 10.96 2.87 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 114.351 -1.295 . . . . 0.0 110.011 -178.581 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -91.14 -39.78 11.95 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-N 114.384 -1.28 . . . . 0.0 109.062 178.754 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 439' ' ' ASN . . . . . 0.574 ' HB2' ' O ' ' A' ' 434' ' ' LYS . 46.3 t-20 -82.42 133.83 35.22 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.139 -0.937 . . . . 0.0 108.58 173.55 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 18.6 m 79.64 -44.13 0.3 Allowed 'General case' 0 CA--C 1.535 0.382 0 O-C-N 123.681 0.613 . . . . 0.0 111.275 178.5 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 25.6 m 71.55 135.47 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.4 0.619 . . . . 0.0 112.216 173.921 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . -126.37 97.91 0.51 Allowed Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.906 -0.664 . . . . 0.0 111.913 -179.519 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 18.8 t . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.388 -0.815 . . . . 0.0 109.928 -178.542 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.694 0 N-CA-C 111.842 -0.503 . . . . 0.0 111.842 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 71.2 m 62.98 177.14 0.15 Allowed 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 121.176 0.513 . . . . 0.0 111.722 179.917 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 21.3 pttm -139.06 111.8 7.76 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.218 0.532 . . . . 0.0 110.504 176.197 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 374' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -84.54 88.03 7.29 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.362 0.601 . . . . 0.0 110.312 -178.71 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 375' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -157.04 -50.74 0.07 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.003 -0.999 . . . . 0.0 108.753 178.207 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 21.5 tp60 -77.35 84.67 3.78 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.219 -0.9 . . . . 0.0 108.688 173.641 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 377' ' ' THR . . . . . . . . . . . . . 4.9 t -108.06 153.28 23.35 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.545 -176.817 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 378' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.41 -38.04 63.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.994 -176.73 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 379' ' ' SER . . . . . 0.507 ' O ' ' HB2' ' A' ' 383' ' ' LYS . 24.6 m -58.42 -47.87 82.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.915 -179.668 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -67.41 -43.75 80.51 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.046 178.565 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -58.78 -55.17 38.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.668 -0.697 . . . . 0.0 112.28 -176.698 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 382' ' ' ASN . . . . . 0.538 ' O ' HG13 ' A' ' 386' ' ' ILE . 2.3 p30 -72.2 -34.22 68.21 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 121.076 -0.249 . . . . 0.0 111.033 -174.5 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 383' ' ' LYS . . . . . 0.667 ' HB3' HD21 ' A' ' 416' ' ' LEU . 11.1 mptt -71.5 -43.05 67.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.794 0.33 . . . . 0.0 110.409 179.723 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 384' ' ' GLU . . . . . 0.469 ' HG3' HD12 ' A' ' 416' ' ' LEU . 17.0 mt-10 -59.04 -37.25 76.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.447 174.769 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 53.4 tptt -67.06 -30.87 71.05 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.621 177.939 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 386' ' ' ILE . . . . . 0.538 HG13 ' O ' ' A' ' 382' ' ' ASN . 91.4 mt -71.35 -44.41 72.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 177.65 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 387' ' ' CYS . . . . . . . . . . . . . 21.3 m -65.54 -38.17 88.86 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.038 175.953 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.77 -19.25 62.73 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.175 179.566 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -70.4 -20.46 62.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.664 174.589 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 390' ' ' ALA . . . . . 0.462 ' HB2' HD21 ' A' ' 400' ' ' LEU . . . -81.0 -24.4 37.99 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 178.002 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? 60.82 -137.87 0.59 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.013 -0.994 . . . . 0.0 111.285 173.081 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -87.02 5.91 35.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.458 -177.592 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 55.2 t-20 -87.63 107.68 18.72 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 177.83 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -65.85 -38.67 89.49 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.461 -178.24 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . 0.564 ' O ' ' HG2' ' A' ' 398' ' ' GLU . 36.1 mtmm -61.37 -48.74 79.9 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.515 179.245 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 396' ' ' ALA . . . . . 0.532 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -60.79 -34.48 74.57 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.05 0.452 . . . . 0.0 110.515 179.8 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 52.5 t -66.21 -49.93 65.6 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.806 177.612 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 398' ' ' GLU . . . . . 0.564 ' HG2' ' O ' ' A' ' 395' ' ' LYS . 8.8 pt-20 -62.27 -27.75 69.24 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.051 -177.991 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 26.8 m-80 -62.58 -59.18 5.29 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.446 174.284 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 1.8 pp -84.3 11.29 8.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.035 0.445 . . . . 0.0 111.609 -178.262 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . 0.472 ' HB2' ' HA ' ' A' ' 398' ' ' GLU . 46.3 tttm -62.39 -17.57 59.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.841 177.758 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -57.42 -30.05 64.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.678 175.199 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -84.54 -2.2 56.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.937 -178.14 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 95.66 38.4 4.71 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.345 -179.806 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 405' ' ' CYS . . . . . 0.569 ' HB3' ' SG ' ' A' ' 414' ' ' CYS . 79.2 m -108.46 118.48 36.9 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 179.171 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 406' ' ' VAL . . . . . 0.513 HG11 HG21 ' A' ' 420' ' ' VAL . 8.6 p -112.98 137.03 47.4 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 -178.971 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 407' ' ' PHE . . . . . 0.477 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 30.4 t80 -85.59 126.05 33.59 Favored 'General case' 0 N--CA 1.439 -0.998 0 CA-C-O 121.262 0.553 . . . . 0.0 110.222 -179.596 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -109.62 113.18 25.73 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.546 176.554 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 2.5 p -70.92 -19.55 62.58 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.85 177.101 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -56.22 -62.93 1.38 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.669 179.612 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 9.5 t -89.49 -4.97 57.71 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.601 0.715 . . . . 0.0 109.393 175.787 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 59.89 67.71 0.85 Allowed 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 114.602 -1.181 . . . . 0.0 111.698 178.649 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 15.8 pttp -170.02 175.02 5.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.223 171.434 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 414' ' ' CYS . . . . . 0.569 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 49.8 t -100.47 126.4 46.88 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 176.366 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -133.93 176.8 8.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.903 0.382 . . . . 0.0 110.98 -178.977 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.667 HD21 ' HB3' ' A' ' 383' ' ' LYS . 8.2 mt -67.63 148.82 50.87 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.112 0.482 . . . . 0.0 111.375 -179.964 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 417' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.22 -6.83 19.8 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.136 174.491 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . 0.42 ' H ' ' HB3' ' A' ' 416' ' ' LEU . 36.3 ttpt -45.94 -53.38 10.04 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.79 -178.747 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -76.57 -39.95 51.14 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.162 -0.926 . . . . 0.0 111.029 -173.609 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 420' ' ' VAL . . . . . 0.513 HG21 HG11 ' A' ' 406' ' ' VAL . 58.5 t -66.76 -43.61 89.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.858 -178.259 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 18.2 ttmm -69.64 -39.39 77.14 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.637 178.237 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -60.13 -47.32 86.39 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 176.427 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 423' ' ' LYS . . . . . 0.467 ' O ' ' HB2' ' A' ' 427' ' ' GLU . 13.6 tppt? -60.88 -41.36 95.82 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.498 179.235 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -69.11 -60.53 2.29 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.107 -175.801 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -70.2 -26.31 63.82 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -172.972 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -83.31 -19.87 35.44 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 121.189 -0.204 . . . . 0.0 110.566 177.914 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . 0.467 ' HB2' ' O ' ' A' ' 423' ' ' LYS . 37.7 tt0 -69.68 -30.62 68.33 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.97 0.414 . . . . 0.0 110.08 179.173 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 428' ' ' SER . . . . . 0.411 ' C ' ' H ' ' A' ' 430' ' ' GLU . 7.0 m -65.94 -24.63 66.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.755 173.639 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 429' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? 69.74 -20.7 0.18 Allowed 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.088 0.955 . . . . 0.0 113.014 173.906 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . 0.411 ' H ' ' C ' ' A' ' 428' ' ' SER . 6.8 tp10 -72.08 -25.55 61.81 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.115 0.483 . . . . 0.0 110.16 178.578 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 431' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -83.41 1.93 39.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.185 -177.488 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -102.64 105.52 16.01 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 179.164 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 178.7 -89.4 0.08 OUTLIER Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.24 -178.359 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 434' ' ' LYS . . . . . 0.472 ' CD ' ' HB2' ' A' ' 436' ' ' GLU . 36.8 ttmt -152.91 133.47 13.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.521 0.2 . . . . 0.0 110.591 -178.754 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -79.78 -54.82 5.48 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 174.143 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 436' ' ' GLU . . . . . 0.472 ' HB2' ' CD ' ' A' ' 434' ' ' LYS . 5.6 tp10 62.72 93.47 0.05 Allowed 'General case' 0 C--O 1.235 0.323 0 CA-C-N 114.767 -1.106 . . . . 0.0 111.559 177.557 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 437' ' ' LYS . . . . . 0.886 ' HA ' ' HE3' ' A' ' 437' ' ' LYS . 0.3 OUTLIER 71.6 -61.79 0.48 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.034 178.697 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -165.38 110.51 0.89 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.634 179.599 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 23.1 t30 -60.77 126.4 27.26 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.343 -0.39 . . . . 0.0 109.999 176.644 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 15.8 p -68.73 -19.36 64.35 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.982 -175.06 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 1.9 m 63.3 21.81 13.0 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 121.542 0.687 . . . . 0.0 109.999 -179.723 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . 116.91 -123.18 5.72 Favored Glycine 0 N--CA 1.445 -0.702 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 -175.192 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 14.8 p . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.821 -0.609 . . . . 0.0 110.294 177.12 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 371' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.779 0 N-CA-C 111.825 -0.51 . . . . 0.0 111.825 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 372' ' ' SER . . . . . . . . . . . . . 37.6 t 66.94 112.15 0.04 OUTLIER 'General case' 0 C--O 1.233 0.188 0 C-N-CA 123.341 0.656 . . . . 0.0 110.909 -176.695 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 373' ' ' LYS . . . . . . . . . . . . . 32.4 mttp 70.04 152.32 0.1 Allowed 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.074 179.92 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 374' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -155.6 -60.97 0.11 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.578 177.804 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 375' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -119.94 116.8 26.52 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 177.792 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 376' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -128.03 158.63 37.4 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.039 -175.321 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 377' ' ' THR . . . . . . . . . . . . . 32.3 p 49.71 49.81 19.41 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.724 0.773 . . . . 0.0 110.352 -175.711 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 378' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -55.08 -39.79 69.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.244 -1.344 . . . . 0.0 112.099 -175.133 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 379' ' ' SER . . . . . . . . . . . . . 23.0 t -65.03 -55.5 18.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.578 -178.048 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 380' ' ' ALA . . . . . . . . . . . . . . . -60.82 -40.76 93.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.853 0.359 . . . . 0.0 110.563 178.677 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 381' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -56.05 -56.49 20.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.782 -179.277 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 382' ' ' ASN . . . . . 0.41 ' O ' HG13 ' A' ' 386' ' ' ILE . 2.2 p30 -72.98 -34.11 66.24 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 121.0 -0.28 . . . . 0.0 110.695 -174.868 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 383' ' ' LYS . . . . . 0.586 ' HB3' HD22 ' A' ' 416' ' ' LEU . 3.0 mptp? -54.45 -57.47 11.2 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 173.696 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 384' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -56.72 -44.65 81.8 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.563 178.915 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 25.5 tptp -63.51 -38.9 92.92 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.432 0.16 . . . . 0.0 111.432 -177.254 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 386' ' ' ILE . . . . . 0.41 HG13 ' O ' ' A' ' 382' ' ' ASN . 85.3 mt -67.79 -44.55 85.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.317 0.58 . . . . 0.0 109.715 178.256 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 387' ' ' CYS . . . . . 0.425 ' O ' ' HB3' ' A' ' 414' ' ' CYS . 62.0 m -63.16 -45.82 90.06 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.841 178.188 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 388' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -76.91 -15.28 59.73 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.669 -174.565 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 389' ' ' ALA . . . . . . . . . . . . . . . -65.49 -25.56 67.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.716 175.353 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 390' ' ' ALA . . . . . . . . . . . . . . . -79.91 -21.7 43.61 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -179.458 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 391' ' ' LYS . . . . . . . . . . . . . 32.7 mtmm 57.45 -116.69 0.96 Allowed 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.486 175.87 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -94.08 -3.34 51.35 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.481 0.182 . . . . 0.0 111.368 -175.915 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 393' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -84.68 106.94 16.61 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.075 0.464 . . . . 0.0 110.374 -176.316 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 394' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -69.98 -39.12 76.15 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.878 -179.215 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 395' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -52.47 -55.76 19.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.579 179.832 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 396' ' ' ALA . . . . . 0.463 ' O ' ' HG ' ' A' ' 400' ' ' LEU . . . -65.71 -33.6 76.25 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.497 -177.621 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 51.8 t -59.42 -50.24 74.7 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.421 0.629 . . . . 0.0 110.375 176.65 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 398' ' ' GLU . . . . . 0.635 ' HA ' ' HB2' ' A' ' 401' ' ' LYS . 20.7 mt-10 -77.72 -4.27 45.4 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.625 -177.189 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 399' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 -75.67 -41.43 53.96 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 167.398 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 396' ' ' ALA . 1.4 pp -103.71 18.89 20.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.263 0.554 . . . . 0.0 110.814 178.358 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 401' ' ' LYS . . . . . 0.635 ' HB2' ' HA ' ' A' ' 398' ' ' GLU . 18.3 tptm -45.63 -32.52 2.4 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 114.933 -1.031 . . . . 0.0 111.36 175.233 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 402' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -48.49 -44.37 35.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.091 -0.959 . . . . 0.0 112.77 178.947 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 403' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -84.65 25.15 0.93 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -167.278 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 404' ' ' GLY . . . . . . . . . . . . . . . 89.97 -1.7 80.85 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 121.01 -0.614 . . . . 0.0 111.766 177.516 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 405' ' ' CYS . . . . . 0.569 ' O ' ' HD2' ' A' ' 401' ' ' LYS . 76.2 m -79.19 115.36 18.8 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.165 -0.517 . . . . 0.0 110.855 -178.151 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 406' ' ' VAL . . . . . . . . . . . . . 12.5 p -127.31 139.42 51.96 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 176.238 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 407' ' ' PHE . . . . . 0.465 ' HA ' ' HA ' ' A' ' 414' ' ' CYS . 21.1 t80 -70.21 122.19 19.01 Favored 'General case' 0 N--CA 1.441 -0.923 0 CA-C-O 121.112 0.482 . . . . 0.0 109.767 -179.836 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 408' ' ' ASN . . . . . . . . . . . . . 25.0 t30 -98.86 101.66 13.13 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 -178.72 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 4.2 p -68.06 -25.87 65.57 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.876 -175.729 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -63.24 -29.37 70.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.321 -178.782 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 6.5 t -121.49 2.31 10.18 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.163 0.506 . . . . 0.0 110.195 178.202 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 412' ' ' ASN . . . . . . . . . . . . . 4.0 t30 51.59 67.8 0.9 Allowed 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.928 -179.224 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -170.35 153.36 4.36 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.483 175.014 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 414' ' ' CYS . . . . . 0.511 ' SG ' ' HB3' ' A' ' 405' ' ' CYS . 37.1 t -73.01 129.12 37.39 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 176.441 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 415' ' ' GLU . . . . . . . . . . . . . 46.4 tt0 -147.53 154.79 41.17 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.841 0.353 . . . . 0.0 110.892 -173.138 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.586 HD22 ' HB3' ' A' ' 383' ' ' LYS . 44.7 tp -73.68 87.26 1.68 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 173.164 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 417' ' ' LYS . . . . . 0.596 ' HE3' HG11 ' A' ' 420' ' ' VAL . 31.9 tptt -133.13 12.46 4.25 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.499 -175.472 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 8.6 tmtm? -58.02 -39.46 78.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.247 -176.146 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 419' ' ' ASP . . . . . 0.447 ' O ' ' HG2' ' A' ' 423' ' ' LYS . 7.1 m-20 -75.8 -42.66 49.36 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.936 -176.396 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 420' ' ' VAL . . . . . 0.596 HG11 ' HE3' ' A' ' 417' ' ' LYS . 39.6 t -62.64 -46.75 95.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.994 -177.457 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -63.69 -39.86 95.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.155 0.502 . . . . 0.0 110.347 178.367 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 422' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -63.35 -41.69 98.86 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.764 -178.865 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 423' ' ' LYS . . . . . 0.447 ' HG2' ' O ' ' A' ' 419' ' ' ASP . 34.6 mmtp -77.98 -13.29 59.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.693 179.105 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 55.9 tp -86.52 -45.45 11.08 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.609 179.124 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -65.34 -49.76 68.18 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.662 -179.974 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 426' ' ' LYS . . . . . . . . . . . . . 79.5 mttt 61.44 -80.61 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.504 0 O-C-N 123.845 0.715 . . . . 0.0 111.874 178.776 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -107.01 -61.71 1.51 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.604 0.716 . . . . 0.0 109.436 -173.956 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 20.3 m -149.05 -65.18 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.102 -0.954 . . . . 0.0 109.496 176.776 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 429' ' ' LYS . . . . . 0.569 ' HD3' HG23 ' A' ' 431' ' ' THR . 0.0 OUTLIER -159.48 -11.93 0.06 Allowed 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 113.002 0.741 . . . . 0.0 113.002 177.873 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 59.0 99.21 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.201 0.524 . . . . 0.0 111.562 -178.314 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 431' ' ' THR . . . . . 0.569 HG23 ' HD3' ' A' ' 429' ' ' LYS . 13.5 p -130.02 17.68 5.6 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 -179.456 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -72.7 107.91 5.42 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 171.847 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 108.77 16.49 11.6 Favored Glycine 0 N--CA 1.445 -0.702 0 N-CA-C 109.957 -1.257 . . . . 0.0 109.957 -168.703 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 434' ' ' LYS . . . . . . . . . . . . . 7.0 mmmm -140.87 -71.96 0.36 Allowed 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.036 -0.582 . . . . 0.0 111.176 -178.83 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -122.82 -165.28 1.28 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.917 -167.079 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 436' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 69.61 -3.71 1.58 Allowed 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.816 -179.085 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 51.5 mttp -128.85 17.34 6.26 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 177.495 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . 68.52 156.85 0.13 Allowed 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.542 -176.753 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 439' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -134.2 96.12 3.55 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.524 -178.637 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 14.7 m -105.4 102.69 12.15 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.468 178.588 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 18.0 p -97.02 15.71 21.64 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.598 -177.451 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 442' ' ' GLY . . . . . . . . . . . . . . . 105.23 21.75 8.68 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.269 179.905 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 443' ' ' SER . . . . . . . . . . . . . 37.1 m . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.735 -0.65 . . . . 0.0 109.973 179.11 . . . . . . . . 0 0 . 1 stop_ save_