data_2n4g_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 2n4g _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 19.9 ptp . . . . . 0 CA--C 1.528 0.118 0 CA-C-O 120.644 0.259 . . . . 8.18 111.194 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 323' ' ' MET . . . . . 0.532 ' O ' ' HG2' ' A' ' 327' ' ' GLN . 25.0 mmt -70.3 -45.43 66.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.853 0.359 . . . . 6.83 110.174 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -70.1 -39.37 75.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.028 -0.533 . . . . 4.6 110.932 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -62.85 -36.61 83.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.066 -0.516 . . . . 4.85 110.585 178.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -68.61 -28.09 66.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.22 -0.446 . . . . 5.05 111.094 178.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 327' ' ' GLN . . . . . 0.532 ' HG2' ' O ' ' A' ' 323' ' ' MET . 30.2 mm-40 -77.68 -36.1 51.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.19 0.519 . . . . 7.27 109.657 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -73.53 -18.64 61.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.424 -0.807 . . . . 4.28 109.971 176.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.388 0 CA-C-N 115.747 -0.661 . . . . 5.8 110.974 178.252 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.451 0 N-CA-C 112.567 -0.213 . . . . 3.38 112.567 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 339' ' ' MET . . . . . 0.494 ' O ' ' HG3' ' A' ' 343' ' ' GLN . 64.0 mtt -59.61 -28.38 67.14 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 122.542 0.337 . . . . 7.13 111.493 178.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 340' ' ' LEU . . . . . 0.544 HD22 ' H ' ' A' ' 340' ' ' LEU . 2.9 mm? -57.44 -28.0 62.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 6.88 111.086 -176.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -72.98 -15.98 61.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.426 -0.352 . . . . 4.93 111.461 -179.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 8.6 t -106.52 -17.54 14.23 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.941 0.4 . . . . 4.3 110.417 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 343' ' ' GLN . . . . . 0.494 ' HG3' ' O ' ' A' ' 339' ' ' MET . 26.2 mt-30 -76.91 -16.99 59.22 Favored 'General case' 0 N--CA 1.462 0.129 0 CA-C-N 116.222 -0.445 . . . . 6.72 110.702 -179.185 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -76.02 -12.69 60.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.927 -0.579 . . . . 7.9 110.709 177.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 . . . . . 0 C--N 1.323 -0.55 0 N-CA-C 109.514 -0.55 . . . . 7.27 109.514 179.615 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 65.7 mtt . . . . . 0 C--O 1.227 -0.107 0 CA-C-O 120.464 0.173 . . . . 8.18 111.353 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 37.8 mtm -66.08 -45.42 81.33 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.798 -0.361 . . . . 6.83 110.147 179.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -68.36 -38.96 81.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.07 -0.514 . . . . 4.6 110.547 178.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -66.14 -39.7 90.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.697 -0.683 . . . . 4.85 111.358 -178.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -67.79 -19.23 65.07 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.817 0.341 . . . . 5.05 111.73 -178.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -90.38 -33.28 16.11 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.096 0.474 . . . . 7.27 109.77 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -81.42 -33.46 32.15 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.792 -0.64 . . . . 4.28 110.591 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.543 0 CA-C-N 116.053 -0.522 . . . . 5.8 112.142 -176.382 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 N-CA-C 112.967 -0.053 . . . . 3.38 112.967 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 339' ' ' MET . . . . . 0.55 ' O ' ' HG2' ' A' ' 343' ' ' GLN . 63.0 mtm -59.42 -36.19 75.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.764 0.316 . . . . 7.13 111.01 -175.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 340' ' ' LEU . . . . . 0.504 HD22 ' H ' ' A' ' 340' ' ' LEU . 2.4 mm? -66.56 -20.93 66.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.443 -0.344 . . . . 6.88 111.46 -176.447 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -89.02 -12.67 40.71 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.13 0.49 . . . . 4.93 110.402 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 30.4 t -107.22 -35.63 6.77 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.829 -0.623 . . . . 4.3 111.388 -177.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 343' ' ' GLN . . . . . 0.55 ' HG2' ' O ' ' A' ' 339' ' ' MET . 14.0 pt20 -93.82 -2.74 53.12 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.809 0.338 . . . . 6.72 111.246 -176.455 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 344' ' ' GLN . . . . . 0.458 ' HB2' ' O ' ' A' ' 340' ' ' LEU . 8.6 tt0 -75.12 -32.36 61.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.214 0.531 . . . . 7.9 110.103 177.364 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 9.0 p30 . . . . . 0 C--N 1.324 -0.54 0 CA-C-N 115.578 -0.737 . . . . 7.27 109.491 178.889 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 24.5 ttt . . . . . 0 CA--C 1.527 0.071 0 CA-C-O 120.607 0.242 . . . . 8.18 110.905 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 323' ' ' MET . . . . . 0.778 ' HA ' ' HE2' ' A' ' 323' ' ' MET . 9.2 mmt -69.51 -45.27 69.28 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.09 0.471 . . . . 6.83 110.323 -178.071 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -70.22 -39.25 75.22 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.872 -0.604 . . . . 4.6 110.903 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -66.53 -27.94 68.16 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.225 -0.443 . . . . 4.85 111.225 -178.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -72.44 -34.28 67.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.398 -0.365 . . . . 5.05 111.655 -178.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -88.02 -28.75 21.2 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.192 0.52 . . . . 7.27 109.844 -178.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -74.84 -14.88 60.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.444 -0.798 . . . . 4.28 109.832 178.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.379 0 CA-C-N 115.917 -0.583 . . . . 5.8 110.815 178.027 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.463 0 N-CA-C 112.417 -0.273 . . . . 3.38 112.417 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 95.3 mmm -77.64 -27.34 50.99 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.991 0.424 . . . . 7.13 110.966 -177.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 340' ' ' LEU . . . . . 0.493 ' O ' ' HG3' ' A' ' 344' ' ' GLN . 7.4 mp -57.68 -25.99 61.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.74 -0.664 . . . . 6.88 112.447 -172.55 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -71.32 -24.54 62.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.2 0.524 . . . . 4.93 110.381 -178.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 24.4 m -94.82 -6.43 42.87 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.938 -0.574 . . . . 4.3 110.033 176.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -95.79 -22.0 17.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 6.72 110.876 178.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 344' ' ' GLN . . . . . 0.493 ' HG3' ' O ' ' A' ' 340' ' ' LEU . 53.3 mt-30 -68.0 -34.54 76.71 Favored 'General case' 0 CA--C 1.522 -0.123 0 CA-C-O 121.54 0.686 . . . . 7.9 109.199 174.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 . . . . . 0 C--N 1.321 -0.671 0 N-CA-C 108.034 -1.099 . . . . 7.27 108.034 174.493 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 52.5 ttm . . . . . 0 CA--C 1.531 0.214 0 CA-C-O 120.629 0.252 . . . . 8.18 111.389 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 27.3 ptt? -63.16 -27.75 69.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.512 -0.313 . . . . 6.83 110.594 -178.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -65.38 -34.27 77.92 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.958 0.409 . . . . 4.6 110.756 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -69.74 -37.98 76.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 4.85 110.324 178.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -74.16 -19.46 60.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.97 -0.559 . . . . 5.05 110.938 178.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -77.54 -35.17 53.55 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.971 -0.558 . . . . 7.27 110.345 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -80.74 -21.69 40.91 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.494 0.664 . . . . 4.28 110.063 176.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.393 0 CA-C-N 115.206 -0.906 . . . . 5.8 111.525 -179.584 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.399 0 N-CA-C 112.858 -0.097 . . . . 3.38 112.858 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 97.5 mmm -66.15 -29.44 69.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.087 0.47 . . . . 7.13 110.183 -179.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 340' ' ' LEU . . . . . 0.536 ' HA ' ' HG2' ' A' ' 343' ' ' GLN . 86.6 mt -58.54 -31.21 67.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.276 -0.874 . . . . 6.88 111.195 -179.115 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -72.75 -24.91 61.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.9 0.381 . . . . 4.93 110.904 -177.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 40.8 m -93.36 -39.29 11.02 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.362 -0.381 . . . . 4.3 111.068 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 343' ' ' GLN . . . . . 0.536 ' HG2' ' HA ' ' A' ' 340' ' ' LEU . 20.5 pt20 -76.64 -17.64 59.05 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.555 -0.293 . . . . 6.72 111.583 -174.72 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -80.74 -12.94 59.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.51 -0.314 . . . . 7.9 110.93 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 . . . . . 0 C--N 1.326 -0.415 0 CA-C-O 120.941 0.401 . . . . 7.27 110.955 -174.091 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 56.3 ttp . . . . . 0 N--CA 1.458 -0.048 0 CA-C-O 121.199 0.523 . . . . 8.18 109.989 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 15.1 tpt -77.41 -39.56 46.62 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.128 -0.487 . . . . 6.83 110.484 178.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -64.85 -39.94 94.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.976 -0.556 . . . . 4.6 110.791 178.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -65.99 -31.68 72.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 4.85 110.66 176.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -74.97 -21.75 58.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.875 -0.602 . . . . 5.05 110.94 178.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -82.53 -35.13 27.56 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.39 -0.596 . . . . 7.27 109.39 176.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -71.33 -16.02 62.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.957 -0.565 . . . . 4.28 110.217 174.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 115.566 -0.743 . . . . 5.8 111.028 177.938 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.126 0 N-CA-C 112.643 -0.183 . . . . 3.38 112.643 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 339' ' ' MET . . . . . 0.533 ' O ' ' HG3' ' A' ' 343' ' ' GLN . 26.9 ttt -61.26 -28.44 69.18 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 109.629 -0.508 . . . . 7.13 109.629 176.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 8.0 tt -58.02 -38.47 76.26 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.684 -0.689 . . . . 6.88 110.125 178.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -72.43 -25.51 61.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.896 0.379 . . . . 4.93 110.718 -179.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 7.3 m -79.59 -32.53 41.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.186 0.517 . . . . 4.3 109.854 176.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 343' ' ' GLN . . . . . 0.533 ' HG3' ' O ' ' A' ' 339' ' ' MET . 25.3 mt-30 -77.75 -17.55 57.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.547 -0.751 . . . . 6.72 110.77 179.241 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -63.2 -33.6 75.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.986 -0.552 . . . . 7.9 110.297 -178.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . 0.406 HD21 ' C ' ' A' ' 345' ' ' ASN . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.524 0 CA-C-N 116.099 -0.5 . . . . 7.27 109.674 178.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 24.6 ptt? . . . . . 0 N--CA 1.456 -0.144 0 CA-C-O 120.445 0.164 . . . . 8.18 110.728 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 88.6 mtp -62.25 -44.95 95.38 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 110.082 -0.34 . . . . 6.83 110.082 177.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -69.5 -39.13 77.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.084 0.468 . . . . 4.6 110.385 179.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -62.98 -38.5 91.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.957 -0.565 . . . . 4.85 110.885 178.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -70.36 -23.36 62.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.151 -0.477 . . . . 5.05 110.981 179.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -75.86 -36.17 59.67 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.29 0.567 . . . . 7.27 109.613 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -78.82 -23.76 44.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.704 -0.68 . . . . 4.28 109.856 175.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 115.493 -0.776 . . . . 5.8 111.43 179.641 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.193 0 N-CA-C 111.849 -0.5 . . . . 3.38 111.849 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 339' ' ' MET . . . . . 0.596 ' O ' ' HG2' ' A' ' 343' ' ' GLN . 84.2 mtp -60.38 -45.49 93.34 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 122.235 0.214 . . . . 7.13 111.104 -171.223 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 340' ' ' LEU . . . . . 0.456 ' O ' ' HB2' ' A' ' 344' ' ' GLN . 44.9 tp -67.41 -31.05 70.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.279 -0.419 . . . . 6.88 111.014 -174.584 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -73.65 -25.75 60.43 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.931 0.396 . . . . 4.93 110.887 178.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 40.6 m -88.81 -42.79 11.69 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.239 -0.437 . . . . 4.3 110.95 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 343' ' ' GLN . . . . . 0.596 ' HG2' ' O ' ' A' ' 339' ' ' MET . 3.8 pt20 -79.91 -1.83 41.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.837 0.351 . . . . 6.72 111.136 -177.444 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 344' ' ' GLN . . . . . 0.456 ' HB2' ' O ' ' A' ' 340' ' ' LEU . 8.9 tt0 -79.25 -14.82 58.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.527 0.68 . . . . 7.9 109.634 174.17 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 . . . . . 0 N--CA 1.464 0.256 0 CA-C-N 114.424 -1.262 . . . . 7.27 111.627 177.891 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 44.1 mtm . . . . . 0 C--O 1.232 0.14 0 CA-C-O 121.271 0.558 . . . . 8.18 110.284 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 20.5 mmt -71.24 -40.86 70.77 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.605 -0.725 . . . . 6.83 110.263 -177.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -65.94 -39.17 90.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.091 -0.504 . . . . 4.6 110.383 177.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -64.33 -39.19 93.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.044 -0.526 . . . . 4.85 110.892 178.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -72.81 -22.79 60.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.157 0.504 . . . . 5.05 110.875 177.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -76.63 -35.38 58.07 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.731 -0.668 . . . . 7.27 109.546 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -79.29 -20.4 48.11 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.475 -0.784 . . . . 4.28 110.524 175.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.08 -0.509 . . . . 5.8 111.086 178.931 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.52 0 N-CA-C 111.769 -0.532 . . . . 3.38 111.769 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 339' ' ' MET . . . . . 0.441 ' O ' ' HG3' ' A' ' 343' ' ' GLN . 62.6 mtt -68.27 -32.61 72.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.657 0.265 . . . . 7.13 110.349 -178.627 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.84 -28.7 69.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 6.88 110.885 -178.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -74.84 -20.24 59.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 4.93 110.586 179.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 6.1 m -96.36 -48.4 5.6 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.081 -0.509 . . . . 4.3 110.775 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 343' ' ' GLN . . . . . 0.441 ' HG3' ' O ' ' A' ' 339' ' ' MET . 0.0 OUTLIER -76.14 -2.75 32.55 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.004 -0.544 . . . . 6.72 112.079 -171.754 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -71.28 -24.51 62.17 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.053 0.454 . . . . 7.9 110.238 174.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 121.408 0.623 . . . . 7.27 109.509 176.469 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 25.7 ptt? . . . . . 0 CA--C 1.529 0.156 0 CA-C-O 120.885 0.374 . . . . 8.18 110.915 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 65.8 mtt -76.4 -29.52 57.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.924 0.392 . . . . 6.83 110.343 -179.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -71.52 -39.56 70.68 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.938 -0.574 . . . . 4.6 109.949 176.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -66.51 -39.24 88.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.97 -0.559 . . . . 4.85 110.757 178.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -68.02 -25.75 65.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.136 -0.484 . . . . 5.05 111.379 179.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -81.78 -34.0 30.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.237 0.541 . . . . 7.27 109.598 179.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -75.45 -14.71 60.45 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.738 -0.665 . . . . 4.28 110.647 177.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.251 0 CA-C-N 115.504 -0.771 . . . . 5.8 111.095 179.756 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 -0.138 0 N-CA-C 111.922 -0.471 . . . . 3.38 111.922 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 339' ' ' MET . . . . . 0.413 ' O ' ' HG3' ' A' ' 343' ' ' GLN . 88.7 mtp -68.05 -37.41 81.29 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.173 0.434 . . . . 7.13 112.173 -172.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -63.07 -25.27 68.29 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 111.839 0.311 . . . . 6.88 111.839 -172.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -72.36 -24.13 61.23 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.875 0.369 . . . . 4.93 110.935 177.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 15.4 m -101.91 -27.0 13.23 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.086 -0.506 . . . . 4.3 111.11 -179.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 343' ' ' GLN . . . . . 0.413 ' HG3' ' O ' ' A' ' 339' ' ' MET . 39.2 mt-30 -75.7 -11.25 59.96 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 111.81 0.3 . . . . 6.72 111.81 -174.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 25.4 pt20 -69.96 -26.87 64.32 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.414 -0.587 . . . . 7.9 109.414 172.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 9.9 t30 . . . . . 0 C--N 1.331 -0.204 0 CA-C-N 115.48 -0.782 . . . . 7.27 109.525 179.231 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 45.1 ttm . . . . . 0 N--CA 1.456 -0.17 0 CA-C-O 120.827 0.346 . . . . 8.18 110.802 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 323' ' ' MET . . . . . 0.464 ' O ' ' HG3' ' A' ' 327' ' ' GLN . 46.7 tpp -66.6 -44.04 83.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.271 -0.422 . . . . 6.83 110.424 179.21 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -64.97 -38.98 92.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 4.6 110.94 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -68.53 -34.09 75.25 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.026 -0.534 . . . . 4.85 110.881 178.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -68.01 -26.58 65.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.432 -0.349 . . . . 5.05 111.046 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 327' ' ' GLN . . . . . 0.464 ' HG3' ' O ' ' A' ' 323' ' ' MET . 52.0 mt-30 -76.27 -29.12 57.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.161 0.505 . . . . 7.27 109.826 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -85.37 -20.54 29.75 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.984 -0.553 . . . . 4.28 109.885 174.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.433 0 CA-C-N 115.749 -0.659 . . . . 5.8 111.516 -178.483 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 111.937 -0.465 . . . . 3.38 111.937 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 339' ' ' MET . . . . . 0.662 ' O ' ' HG2' ' A' ' 343' ' ' GLN . 26.2 ttt -64.69 -33.97 77.21 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.626 -0.509 . . . . 7.13 109.626 178.369 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 50.0 tp -64.68 -29.81 70.81 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.439 -0.8 . . . . 6.88 110.663 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -74.96 -25.02 58.56 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.047 0.451 . . . . 4.93 110.448 178.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 45.0 m -85.62 -15.74 41.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.056 -0.52 . . . . 4.3 110.297 177.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 343' ' ' GLN . . . . . 0.662 ' HG2' ' O ' ' A' ' 339' ' ' MET . 31.2 mm-40 -76.49 -3.18 35.97 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.014 -0.539 . . . . 6.72 110.191 179.527 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -64.25 -26.52 68.54 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 121.68 0.752 . . . . 7.9 109.029 172.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 . . . . . 0 C--N 1.325 -0.48 0 CA-C-N 114.944 -1.025 . . . . 7.27 108.659 173.706 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 28.4 ttt . . . . . 0 CA--C 1.53 0.189 0 CA-C-O 120.552 0.215 . . . . 8.18 111.428 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 27.6 ttt -65.32 -40.29 93.54 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.924 0.392 . . . . 6.83 110.447 177.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -73.37 -33.75 65.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 4.6 110.495 179.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -61.81 -39.18 90.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.867 -0.606 . . . . 4.85 110.523 177.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -67.45 -24.94 65.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.121 -0.49 . . . . 5.05 110.838 179.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -76.2 -36.07 58.78 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.568 -0.531 . . . . 7.27 109.568 -179.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -74.92 -32.4 61.77 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.686 -0.688 . . . . 4.28 109.834 174.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 115.628 -0.715 . . . . 5.8 111.342 -179.806 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 111.928 -0.469 . . . . 3.38 111.928 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 88.1 mtp -59.95 -29.37 68.36 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 122.572 0.349 . . . . 7.13 111.907 -172.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 89.3 mt -58.53 -26.57 63.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.242 -0.435 . . . . 6.88 111.741 -175.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -72.33 -24.25 61.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.718 -0.219 . . . . 4.93 111.5 -176.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 20.2 t -107.68 -22.11 12.62 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.87 -0.332 . . . . 4.3 111.046 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -76.83 -23.33 52.75 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.913 -0.315 . . . . 6.72 111.502 -177.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -81.64 -12.26 58.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.93 0.395 . . . . 7.9 111.157 175.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 . . . . . 0 C--N 1.324 -0.534 0 CA-C-O 121.661 0.743 . . . . 7.27 109.829 -178.241 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 311' ' ' MET . . . . . . . . . . . . . 23.4 ptp . . . . . 0 N--CA 1.48 1.025 0 CA-C-O 120.769 0.319 . . . . 20.35 110.164 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 312' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -90.09 74.31 7.19 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.245 0.545 . . . . 17.91 110.751 -178.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 313' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -150.76 100.2 2.8 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.926 -0.579 . . . . 19.3 110.357 177.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 314' ' ' GLY . . . . . . . . . . . . . . . -178.91 -119.91 0.63 Allowed Glycine 0 N--CA 1.441 -0.967 0 CA-C-N 115.325 -0.852 . . . . 15.31 111.411 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 315' ' ' ALA . . . . . 0.444 ' HB1' HD21 ' A' ' 319' ' ' ASN . . . -82.59 67.37 8.61 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.991 0.424 . . . . 14.46 110.305 177.376 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 316' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -75.43 110.35 9.72 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.073 -0.512 . . . . 15.12 110.23 -178.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 15.2 m 69.39 -59.28 0.49 Allowed 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.392 -0.822 . . . . 12.05 111.241 -178.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 318' ' ' ILE . . . . . . . . . . . . . 66.2 mt -84.64 117.14 29.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.367 -0.378 . . . . 10.91 110.286 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 319' ' ' ASN . . . . . 0.444 HD21 ' HB1' ' A' ' 315' ' ' ALA . 13.6 m120 -93.15 146.05 31.21 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.105 -0.498 . . . . 8.44 109.962 178.506 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 320' ' ' PRO . . . . . 0.502 ' HB2' ' HG2' ' A' ' 322' ' ' MET . 27.6 Cg_endo -63.15 136.66 57.26 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.52 2.147 . . . . 6.26 112.349 -176.056 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -73.91 -20.88 60.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.662 -0.699 . . . . 6.05 111.364 -177.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 322' ' ' MET . . . . . 0.502 ' HG2' ' HB2' ' A' ' 320' ' ' PRO . 19.9 ptp -59.22 -31.51 69.11 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.367 -0.379 . . . . 8.18 111.194 -179.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 323' ' ' MET . . . . . 0.532 ' O ' ' HG2' ' A' ' 327' ' ' GLN . 25.0 mmt -70.3 -45.43 66.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.853 0.359 . . . . 6.83 110.174 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -70.1 -39.37 75.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.028 -0.533 . . . . 4.6 110.932 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -62.85 -36.61 83.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.066 -0.516 . . . . 4.85 110.585 178.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -68.61 -28.09 66.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.22 -0.446 . . . . 5.05 111.094 178.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 327' ' ' GLN . . . . . 0.532 ' HG2' ' O ' ' A' ' 323' ' ' MET . 30.2 mm-40 -77.68 -36.1 51.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.19 0.519 . . . . 7.27 109.657 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -73.53 -18.64 61.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.424 -0.807 . . . . 4.28 109.971 176.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -70.14 -35.75 74.28 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.747 -0.661 . . . . 5.8 110.974 178.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.441 HD11 ' HA ' ' A' ' 330' ' ' LEU . 4.0 mm? -73.06 -29.35 62.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.702 0.287 . . . . 8.01 110.539 177.447 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 70.24 -71.59 0.12 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.486 -0.779 . . . . 8.52 112.039 178.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 8.8 t 56.87 52.01 9.97 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 108.715 -0.846 . . . . 6.81 108.715 -170.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 44.7 t -95.58 131.08 42.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.969 -1.014 . . . . 5.84 111.817 -172.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 7.4 m-90 -111.11 148.99 31.5 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.613 -0.884 . . . . 6.78 108.613 166.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 335' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -143.04 -45.51 0.3 Allowed 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.152 0.501 . . . . 6.94 110.257 -174.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 53.7 ttm -142.92 -25.66 0.61 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.539 -0.755 . . . . 9.16 109.558 178.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 33.5 ttm -78.34 -5.45 52.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.71 -0.677 . . . . 7.56 109.373 175.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -68.51 77.64 0.26 Allowed Glycine 0 N--CA 1.449 -0.451 0 CA-C-N 115.581 -0.736 . . . . 3.38 112.567 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 339' ' ' MET . . . . . 0.494 ' O ' ' HG3' ' A' ' 343' ' ' GLN . 64.0 mtt -59.61 -28.38 67.14 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 122.542 0.337 . . . . 7.13 111.493 178.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 340' ' ' LEU . . . . . 0.544 HD22 ' H ' ' A' ' 340' ' ' LEU . 2.9 mm? -57.44 -28.0 62.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 6.88 111.086 -176.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -72.98 -15.98 61.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.426 -0.352 . . . . 4.93 111.461 -179.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 8.6 t -106.52 -17.54 14.23 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.941 0.4 . . . . 4.3 110.417 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 343' ' ' GLN . . . . . 0.494 ' HG3' ' O ' ' A' ' 339' ' ' MET . 26.2 mt-30 -76.91 -16.99 59.22 Favored 'General case' 0 N--CA 1.462 0.129 0 CA-C-N 116.222 -0.445 . . . . 6.72 110.702 -179.185 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -76.02 -12.69 60.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.927 -0.579 . . . . 7.9 110.709 177.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -94.58 78.44 3.8 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.514 -0.55 . . . . 7.27 109.514 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -80.77 83.0 6.62 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.151 -0.477 . . . . 7.14 110.723 -179.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 48.5 m -122.87 20.39 10.06 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.929 -0.578 . . . . 5.27 110.286 178.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 69.74 65.66 2.49 Favored Glycine 0 CA--C 1.52 0.346 0 CA-C-N 115.702 -0.681 . . . . 5.41 112.769 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 349' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -63.51 -25.09 70.2 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.381 2.054 . . . . 7.75 112.581 -177.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 20.0 m -111.59 30.75 6.69 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.263 0.554 . . . . 8.54 110.394 178.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 351' ' ' GLY . . . . . . . . . . . . . . . -75.71 125.56 8.02 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.835 -0.697 . . . . 7.52 112.084 178.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 352' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -85.82 69.35 10.57 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.893 0.378 . . . . 8.82 110.262 -178.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 353' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -75.85 70.6 2.62 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.884 -0.598 . . . . 10.36 110.971 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -90.13 54.99 2.95 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.674 -0.694 . . . . 11.75 109.786 177.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 355' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -68.92 157.62 36.27 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.717 -0.674 . . . . 13.09 110.489 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -84.76 89.92 7.62 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.702 -0.681 . . . . 15.22 110.324 -179.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 96.1 -134.15 11.74 Favored Glycine 0 N--CA 1.443 -0.863 0 C-N-CA 120.773 -0.727 . . . . 15.83 111.765 -178.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 358' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -153.57 8.57 0.39 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.674 0.273 . . . . 18.95 111.02 -178.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 359' ' ' MET . . . . . . . . . . . . . 64.5 mtt -82.58 84.07 7.38 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.249 0.547 . . . . 18.87 110.176 -178.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 360' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 . . . . . 0 C--O 1.245 0.857 0 CA-C-O 118.44 -0.791 . . . . 18.61 109.902 179.586 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 311' ' ' MET . . . . . . . . . . . . . 23.1 ptp . . . . . 0 N--CA 1.481 1.119 0 CA-C-O 120.736 0.303 . . . . 20.35 110.414 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 312' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -134.42 105.39 6.55 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.615 0.721 . . . . 17.91 111.101 176.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 313' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -120.54 -33.21 3.89 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.509 -0.769 . . . . 19.3 110.104 177.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 314' ' ' GLY . . . . . . . . . . . . . . . -89.27 35.66 3.66 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.997 -0.621 . . . . 15.31 111.969 178.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -84.28 73.27 10.47 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.947 0.403 . . . . 14.46 110.281 -179.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 316' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -66.68 98.94 0.56 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.776 -0.647 . . . . 15.12 110.722 -178.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 17.9 m -83.16 46.61 1.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.026 0.441 . . . . 12.05 111.079 -177.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 318' ' ' ILE . . . . . . . . . . . . . 41.8 mm -75.96 -33.34 24.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 109.171 -0.677 . . . . 10.91 109.171 177.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -106.41 140.82 21.68 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.351 -0.84 . . . . 8.44 109.013 173.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 320' ' ' PRO . . . . . 0.72 ' HD2' ' HE3' ' A' ' 323' ' ' MET . 37.6 Cg_exo -59.66 136.38 70.42 Favored 'Trans proline' 0 C--O 1.233 0.248 0 C-N-CA 122.227 1.951 . . . . 6.26 111.608 175.064 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -77.63 -30.22 52.12 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.918 -0.583 . . . . 6.05 112.209 -172.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 65.7 mtt -69.33 -24.14 63.87 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.568 -0.287 . . . . 8.18 111.353 -175.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 323' ' ' MET . . . . . 0.72 ' HE3' ' HD2' ' A' ' 320' ' ' PRO . 37.8 mtm -66.08 -45.42 81.33 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.798 -0.361 . . . . 6.83 110.147 179.553 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -68.36 -38.96 81.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.07 -0.514 . . . . 4.6 110.547 178.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -66.14 -39.7 90.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.697 -0.683 . . . . 4.85 111.358 -178.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -67.79 -19.23 65.07 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.817 0.341 . . . . 5.05 111.73 -178.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -90.38 -33.28 16.11 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.096 0.474 . . . . 7.27 109.77 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 328' ' ' ALA . . . . . 0.573 ' HA ' ' O ' ' A' ' 332' ' ' SER . . . -81.42 -33.46 32.15 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.792 -0.64 . . . . 4.28 110.591 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -73.68 -36.17 65.28 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.053 -0.522 . . . . 5.8 112.142 -176.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 66.1 tp -73.14 -37.14 66.72 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.176 0.436 . . . . 8.01 112.176 -173.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -163.63 -62.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.869 -0.332 . . . . 8.52 111.505 -174.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 332' ' ' SER . . . . . 0.573 ' O ' ' HA ' ' A' ' 328' ' ' ALA . 24.3 m -77.48 71.65 3.97 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.13 -0.487 . . . . 6.81 111.588 -175.076 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 19.3 m -76.61 128.29 34.43 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 110.252 -0.277 . . . . 5.84 110.252 177.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 334' ' ' TRP . . . . . 0.613 ' HA ' ' HA2' ' A' ' 338' ' ' GLY . 58.6 p-90 -115.33 151.27 34.91 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.532 -0.304 . . . . 6.78 110.74 174.053 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 335' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -127.15 -35.5 2.23 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.055 -0.72 . . . . 6.94 109.055 174.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 44.1 ttm -133.23 -83.82 0.46 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.097 -0.956 . . . . 9.16 109.395 174.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 22.8 mmt -92.35 -8.57 44.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.912 0.387 . . . . 7.56 111.088 177.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 338' ' ' GLY . . . . . 0.613 ' HA2' ' HA ' ' A' ' 334' ' ' TRP . . . 91.44 -50.0 2.95 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.586 -0.816 . . . . 3.38 112.967 177.219 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 339' ' ' MET . . . . . 0.55 ' O ' ' HG2' ' A' ' 343' ' ' GLN . 63.0 mtm -59.42 -36.19 75.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.764 0.316 . . . . 7.13 111.01 -175.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 340' ' ' LEU . . . . . 0.504 HD22 ' H ' ' A' ' 340' ' ' LEU . 2.4 mm? -66.56 -20.93 66.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.443 -0.344 . . . . 6.88 111.46 -176.447 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -89.02 -12.67 40.71 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.13 0.49 . . . . 4.93 110.402 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 30.4 t -107.22 -35.63 6.77 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.829 -0.623 . . . . 4.3 111.388 -177.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 343' ' ' GLN . . . . . 0.55 ' HG2' ' O ' ' A' ' 339' ' ' MET . 14.0 pt20 -93.82 -2.74 53.12 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.809 0.338 . . . . 6.72 111.246 -176.455 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 344' ' ' GLN . . . . . 0.458 ' HB2' ' O ' ' A' ' 340' ' ' LEU . 8.6 tt0 -75.12 -32.36 61.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.214 0.531 . . . . 7.9 110.103 177.364 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -106.98 172.04 7.04 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.578 -0.737 . . . . 7.27 109.491 178.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -122.6 -25.93 4.63 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.883 0.373 . . . . 7.14 110.876 -176.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 7.9 t -137.92 35.6 2.38 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.193 0.521 . . . . 5.27 110.305 -179.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 93.78 179.32 39.04 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.452 -0.88 . . . . 5.41 112.27 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 349' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -68.74 -18.44 42.08 Favored 'Trans proline' 0 CA--C 1.532 0.391 0 C-N-CA 122.698 2.266 . . . . 7.75 112.834 -178.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 70.8 m -150.15 96.03 2.36 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.967 0.413 . . . . 8.54 110.63 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 351' ' ' GLY . . . . . . . . . . . . . . . -127.95 72.21 0.47 Allowed Glycine 0 N--CA 1.45 -0.395 0 N-CA-C 111.339 -0.704 . . . . 7.52 111.339 177.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 352' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -91.82 110.87 22.22 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.391 0.615 . . . . 8.82 111.736 -174.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 353' ' ' ASN . . . . . . . . . . . . . 16.2 p30 -129.56 153.57 47.91 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.256 -0.883 . . . . 10.36 109.137 174.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -132.08 104.99 7.1 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.107 0.48 . . . . 11.75 111.237 -177.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 355' ' ' ASN . . . . . . . . . . . . . 30.0 p-10 -95.89 16.96 16.28 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.661 -0.7 . . . . 13.09 110.303 179.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -95.96 86.42 4.32 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.419 0.628 . . . . 15.22 109.879 -179.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -175.89 145.29 7.55 Favored Glycine 0 N--CA 1.445 -0.761 0 N-CA-C 111.157 -0.777 . . . . 15.83 111.157 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 358' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -80.16 59.29 3.27 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.593 0.711 . . . . 18.95 111.527 -177.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 359' ' ' MET . . . . . . . . . . . . . 95.1 mmm -100.51 3.0 42.53 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.23 -0.896 . . . . 18.87 108.941 171.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 360' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 . . . . . 0 C--O 1.246 0.918 0 CA-C-N 114.394 -1.275 . . . . 18.61 110.363 -176.3 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 311' ' ' MET . . . . . . . . . . . . . 63.9 mtt . . . . . 0 N--CA 1.48 1.027 0 CA-C-O 120.775 0.321 . . . . 20.35 110.561 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 312' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -115.43 149.48 37.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.969 0.414 . . . . 17.91 110.861 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 313' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -112.8 -22.44 10.68 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.826 -0.625 . . . . 19.3 109.708 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 314' ' ' GLY . . . . . . . . . . . . . . . 172.9 166.22 31.06 Favored Glycine 0 N--CA 1.446 -0.678 0 CA-C-N 115.573 -0.739 . . . . 15.31 111.759 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . 67.13 6.26 4.66 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.3 0.64 . . . . 14.46 112.628 177.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 316' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 60.77 -174.98 0.12 Allowed 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 122.926 0.49 . . . . 15.12 111.574 179.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 3.4 t -109.11 39.55 2.02 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.304 0.573 . . . . 12.05 109.81 -179.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 318' ' ' ILE . . . . . 0.431 ' C ' HD21 ' A' ' 319' ' ' ASN . 63.9 mt -118.26 106.18 19.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.737 -0.665 . . . . 10.91 109.983 -179.487 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 319' ' ' ASN . . . . . 0.431 HD21 ' C ' ' A' ' 318' ' ' ILE . 0.9 OUTLIER -118.14 152.14 50.09 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 116.128 -0.487 . . . . 8.44 110.371 -179.92 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -57.57 138.23 85.13 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 123.101 2.534 . . . . 6.26 112.677 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -65.69 -25.32 67.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.314 -0.857 . . . . 6.05 111.862 -174.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 24.5 ttt -59.39 -33.57 71.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.607 0.242 . . . . 8.18 110.905 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 323' ' ' MET . . . . . 0.778 ' HA ' ' HE2' ' A' ' 323' ' ' MET . 9.2 mmt -69.51 -45.27 69.28 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.09 0.471 . . . . 6.83 110.323 -178.071 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -70.22 -39.25 75.22 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.872 -0.604 . . . . 4.6 110.903 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -66.53 -27.94 68.16 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.225 -0.443 . . . . 4.85 111.225 -178.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -72.44 -34.28 67.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.398 -0.365 . . . . 5.05 111.655 -178.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -88.02 -28.75 21.2 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.192 0.52 . . . . 7.27 109.844 -178.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -74.84 -14.88 60.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.444 -0.798 . . . . 4.28 109.832 178.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -66.45 -37.09 84.38 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.917 -0.583 . . . . 5.8 110.815 178.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 91.1 mt -75.36 -38.11 60.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.941 -0.572 . . . . 8.01 111.049 179.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -137.82 76.38 1.58 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.124 -0.489 . . . . 8.52 110.824 -175.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 10.7 t -75.56 -22.93 56.59 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.133 -0.691 . . . . 6.81 109.133 175.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 33.5 m -91.4 131.73 36.68 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.494 -0.776 . . . . 5.84 109.206 174.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 80.5 m95 -104.52 152.58 22.21 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.917 0.389 . . . . 6.78 110.244 -177.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 335' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -149.48 -35.27 0.18 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.957 -0.565 . . . . 6.94 110.796 -178.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 65.0 mtt -111.78 -33.43 6.32 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.343 0.592 . . . . 9.16 109.714 -177.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 87.2 mtp -85.96 -5.29 59.25 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.521 -0.763 . . . . 7.56 109.656 174.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -77.58 39.66 1.74 Allowed Glycine 0 CA--C 1.521 0.463 0 CA-C-N 115.763 -0.653 . . . . 3.38 112.417 177.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 95.3 mmm -77.64 -27.34 50.99 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.991 0.424 . . . . 7.13 110.966 -177.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 340' ' ' LEU . . . . . 0.493 ' O ' ' HG3' ' A' ' 344' ' ' GLN . 7.4 mp -57.68 -25.99 61.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.74 -0.664 . . . . 6.88 112.447 -172.55 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -71.32 -24.54 62.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.2 0.524 . . . . 4.93 110.381 -178.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 342' ' ' SER . . . . . 0.435 ' O ' ' HA ' ' A' ' 346' ' ' GLN . 24.4 m -94.82 -6.43 42.87 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.938 -0.574 . . . . 4.3 110.033 176.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -95.79 -22.0 17.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 6.72 110.876 178.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 344' ' ' GLN . . . . . 0.493 ' HG3' ' O ' ' A' ' 340' ' ' LEU . 53.3 mt-30 -68.0 -34.54 76.71 Favored 'General case' 0 CA--C 1.522 -0.123 0 CA-C-O 121.54 0.686 . . . . 7.9 109.199 174.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -143.72 100.12 3.53 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.034 -1.099 . . . . 7.27 108.034 174.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 346' ' ' GLN . . . . . 0.435 ' HA ' ' O ' ' A' ' 342' ' ' SER . 28.9 tt0 -70.47 86.62 0.63 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.727 -0.67 . . . . 7.14 111.719 -172.539 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 8.7 p -82.79 61.14 5.7 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.725 -0.671 . . . . 5.27 109.692 174.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . -96.1 -153.22 29.7 Favored Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.733 -0.667 . . . . 5.41 112.567 -176.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 349' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo -73.33 -25.03 15.96 Favored 'Trans proline' 0 N--CA 1.46 -0.458 0 C-N-CA 122.786 2.324 . . . . 7.75 112.619 -177.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 49.4 m -125.17 120.28 30.89 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.403 -0.362 . . . . 8.54 110.653 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 351' ' ' GLY . . . . . . . . . . . . . . . -128.19 117.82 2.66 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 111.673 -0.571 . . . . 7.52 111.673 179.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 352' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -70.88 128.34 35.68 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.956 0.407 . . . . 8.82 110.086 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 353' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -72.46 -27.05 62.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.644 -0.707 . . . . 10.36 110.48 -174.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -147.97 135.01 20.28 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.839 -0.619 . . . . 11.75 109.365 172.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 355' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 -109.86 90.04 3.19 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.964 -0.562 . . . . 13.09 109.785 -177.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 58.3 90.03 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 O-C-N 123.745 0.653 . . . . 15.22 110.09 -175.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -132.96 -125.31 2.61 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.383 -0.913 . . . . 15.83 112.115 -178.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 358' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -131.19 161.34 32.4 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.601 -0.518 . . . . 18.95 109.601 -179.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 359' ' ' MET . . . . . . . . . . . . . 64.8 mtt -114.94 121.56 43.56 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.238 -0.437 . . . . 18.87 110.52 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 360' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 . . . . . 0 C--O 1.247 0.945 0 CA-C-O 118.853 -0.594 . . . . 18.61 110.595 -178.931 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 311' ' ' MET . . . . . . . . . . . . . 92.5 mtp . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.571 0.224 . . . . 20.35 111.191 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 312' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -118.02 116.05 26.12 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.886 -0.326 . . . . 17.91 111.632 -173.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 313' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 55.47 44.97 26.09 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.526 -0.761 . . . . 19.3 112.507 169.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 314' ' ' GLY . . . . . . . . . . . . . . . -92.95 177.35 38.35 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.916 -0.659 . . . . 15.31 111.667 177.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . 58.88 63.58 1.61 Allowed 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.232 0.539 . . . . 14.46 111.53 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 316' ' ' PHE . . . . . 0.437 ' CE2' ' HB ' ' A' ' 318' ' ' ILE . 39.3 t80 -141.38 -53.56 0.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.866 -0.606 . . . . 15.12 109.696 178.312 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 19.6 m 54.45 63.52 2.13 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.727 -0.669 . . . . 12.05 112.196 174.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 318' ' ' ILE . . . . . 0.437 ' HB ' ' CE2' ' A' ' 316' ' ' PHE . 6.2 tp -88.69 112.77 24.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.166 0.508 . . . . 10.91 110.216 176.465 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -89.22 141.15 28.96 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 116.13 -0.486 . . . . 8.44 109.914 -178.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 320' ' ' PRO . . . . . 0.544 ' O ' ' HG2' ' A' ' 323' ' ' MET . 61.6 Cg_endo -74.27 137.36 23.37 Favored 'Trans proline' 0 N--CA 1.463 -0.318 0 C-N-CA 122.523 2.149 . . . . 6.26 112.093 -179.184 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -78.21 -22.2 48.89 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.267 0.556 . . . . 6.05 110.178 177.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 52.5 ttm -61.79 -27.36 68.7 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.45 -0.795 . . . . 8.18 111.389 -177.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 323' ' ' MET . . . . . 0.544 ' HG2' ' O ' ' A' ' 320' ' ' PRO . 27.3 ptt? -63.16 -27.75 69.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.512 -0.313 . . . . 6.83 110.594 -178.745 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -65.38 -34.27 77.92 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.958 0.409 . . . . 4.6 110.756 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -69.74 -37.98 76.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 4.85 110.324 178.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -74.16 -19.46 60.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.97 -0.559 . . . . 5.05 110.938 178.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -77.54 -35.17 53.55 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.971 -0.558 . . . . 7.27 110.345 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -80.74 -21.69 40.91 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.494 0.664 . . . . 4.28 110.063 176.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -65.01 -23.65 67.27 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.206 -0.906 . . . . 5.8 111.525 -179.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 86.3 mt -63.72 -25.84 68.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.923 -0.581 . . . . 8.01 111.413 -178.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -69.32 137.38 52.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.407 -0.36 . . . . 8.52 110.311 -178.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 20.9 t -73.75 -17.94 61.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.295 -0.411 . . . . 6.81 111.012 -175.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 21.1 m -91.95 131.97 36.87 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.006 -0.738 . . . . 5.84 109.006 173.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 43.0 p-90 -104.69 151.55 23.57 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.385 0.612 . . . . 6.78 111.558 -173.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 335' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -128.48 -44.37 1.38 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.33 -0.85 . . . . 6.94 109.981 175.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 27.7 ttt -146.19 -45.33 0.2 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 9.16 111.488 178.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 3.1 mpp? -84.58 -11.98 54.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.804 0.335 . . . . 7.56 111.595 -175.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -85.78 35.65 3.21 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.512 -0.851 . . . . 3.38 112.858 -177.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 97.5 mmm -66.15 -29.44 69.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.087 0.47 . . . . 7.13 110.183 -179.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 340' ' ' LEU . . . . . 0.536 ' HA ' ' HG2' ' A' ' 343' ' ' GLN . 86.6 mt -58.54 -31.21 67.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.276 -0.874 . . . . 6.88 111.195 -179.115 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -72.75 -24.91 61.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.9 0.381 . . . . 4.93 110.904 -177.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 40.8 m -93.36 -39.29 11.02 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.362 -0.381 . . . . 4.3 111.068 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 343' ' ' GLN . . . . . 0.536 ' HG2' ' HA ' ' A' ' 340' ' ' LEU . 20.5 pt20 -76.64 -17.64 59.05 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.555 -0.293 . . . . 6.72 111.583 -174.72 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -80.74 -12.94 59.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.51 -0.314 . . . . 7.9 110.93 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -98.01 52.57 1.06 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.941 0.401 . . . . 7.27 110.955 -174.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 176.04 146.79 0.09 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.531 -0.759 . . . . 7.14 110.277 173.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 11.6 p -127.53 117.15 21.52 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.958 -0.565 . . . . 5.27 110.25 179.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . -111.88 -117.09 3.58 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.54 -0.838 . . . . 5.41 112.482 -177.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 349' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -64.37 -23.87 64.96 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.956 2.437 . . . . 7.75 112.61 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 1.4 p -83.09 81.8 8.52 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.95 -0.568 . . . . 8.54 110.613 177.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 351' ' ' GLY . . . . . . . . . . . . . . . 168.02 -60.94 0.21 Allowed Glycine 0 N--CA 1.446 -0.637 0 CA-C-N 115.744 -0.662 . . . . 7.52 111.759 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 352' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -159.18 163.89 35.62 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.506 -0.553 . . . . 8.82 109.506 178.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 353' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -106.76 32.06 4.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.759 -0.2 . . . . 10.36 110.893 -177.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 25.5 mp0 68.51 -46.6 0.54 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.901 0.88 . . . . 11.75 112.984 175.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 355' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -72.52 -10.89 60.35 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 122.271 -0.268 . . . . 13.09 110.902 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 48.6 tp60 70.25 -82.36 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 123.397 0.679 . . . . 15.22 111.574 177.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 151.31 103.31 0.25 Allowed Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.736 -0.745 . . . . 15.83 112.194 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 358' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -83.31 59.66 5.15 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.439 0.638 . . . . 18.95 110.621 -176.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 359' ' ' MET . . . . . . . . . . . . . 71.9 mtm -126.52 -0.66 6.86 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.416 0.627 . . . . 18.87 109.848 175.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 360' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 . . . . . 0 C--O 1.247 0.958 0 CA-C-N 115.438 -0.801 . . . . 18.61 109.461 -177.706 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 311' ' ' MET . . . . . 0.46 ' HB3' ' HA2' ' A' ' 314' ' ' GLY . 66.3 mtt . . . . . 0 N--CA 1.48 1.045 0 CA-C-O 121.051 0.453 . . . . 20.35 109.831 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 312' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -64.19 -58.35 6.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.771 -0.65 . . . . 17.91 110.817 -173.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 313' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -106.56 16.58 24.42 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.429 -0.582 . . . . 19.3 109.429 176.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 314' ' ' GLY . . . . . 0.46 ' HA2' ' HB3' ' A' ' 311' ' ' MET . . . 89.61 -115.16 4.47 Favored Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 110.719 -0.952 . . . . 15.31 110.719 -172.648 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -164.87 -170.5 1.98 Allowed 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.934 -0.395 . . . . 14.46 109.934 178.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 316' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 65.77 70.4 0.44 Allowed 'General case' 0 C--N 1.328 -0.368 0 O-C-N 123.628 0.58 . . . . 15.12 112.462 173.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 67.7 m -95.35 78.94 3.45 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.227 -1.027 . . . . 12.05 108.227 167.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 318' ' ' ILE . . . . . . . . . . . . . 18.3 tt -75.54 138.95 19.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.588 -0.733 . . . . 10.91 111.244 -170.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 319' ' ' ASN . . . . . 0.522 ' N ' HD21 ' A' ' 319' ' ' ASN . 0.8 OUTLIER -86.1 139.73 34.62 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.775 -0.648 . . . . 8.44 109.377 179.049 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_endo -60.39 138.88 83.57 Favored 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 122.421 2.081 . . . . 6.26 110.954 175.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -64.1 -32.71 74.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.709 -0.678 . . . . 6.05 111.581 -171.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 56.3 ttp -67.39 -33.08 74.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.199 0.523 . . . . 8.18 109.989 177.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 15.1 tpt -77.41 -39.56 46.62 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.128 -0.487 . . . . 6.83 110.484 178.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -64.85 -39.94 94.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.976 -0.556 . . . . 4.6 110.791 178.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -65.99 -31.68 72.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 4.85 110.66 176.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -74.97 -21.75 58.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.875 -0.602 . . . . 5.05 110.94 178.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -82.53 -35.13 27.56 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.39 -0.596 . . . . 7.27 109.39 176.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -71.33 -16.02 62.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.957 -0.565 . . . . 4.28 110.217 174.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -67.38 -24.14 65.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.566 -0.743 . . . . 5.8 111.028 177.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 82.5 mt -63.62 -27.6 69.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.941 -0.572 . . . . 8.01 111.118 -179.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . 0.488 ' HA ' ' OE1' ' A' ' 331' ' ' GLN . 13.5 mm-40 -81.91 81.24 7.97 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.053 0.454 . . . . 8.52 110.497 178.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 29.3 t -73.45 -28.97 62.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.867 -0.606 . . . . 6.81 110.625 178.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 32.8 m -93.79 134.87 35.68 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 116.078 -0.51 . . . . 5.84 110.391 -179.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 334' ' ' TRP . . . . . 0.514 ' O ' ' HA3' ' A' ' 338' ' ' GLY . 77.2 m95 -107.48 152.53 24.1 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.703 -0.68 . . . . 6.78 110.848 -176.182 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 335' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -99.26 -15.93 18.69 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.612 -0.722 . . . . 6.94 109.489 179.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 55.2 mtt -93.67 -80.6 0.39 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.295 -0.866 . . . . 9.16 110.472 -177.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 337' ' ' MET . . . . . 0.407 ' C ' ' H ' ' A' ' 339' ' ' MET . 26.6 ptt? -79.13 -4.56 50.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.109 0.48 . . . . 7.56 110.369 177.303 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 338' ' ' GLY . . . . . 0.514 ' HA3' ' O ' ' A' ' 334' ' ' TRP . . . -71.92 9.87 4.78 Favored Glycine 0 C--N 1.332 0.317 0 CA-C-N 115.812 -0.631 . . . . 3.38 112.643 179.289 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 339' ' ' MET . . . . . 0.533 ' O ' ' HG3' ' A' ' 343' ' ' GLN . 26.9 ttt -61.26 -28.44 69.18 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 109.629 -0.508 . . . . 7.13 109.629 176.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 8.0 tt -58.02 -38.47 76.26 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.684 -0.689 . . . . 6.88 110.125 178.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -72.43 -25.51 61.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.896 0.379 . . . . 4.93 110.718 -179.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 7.3 m -79.59 -32.53 41.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.186 0.517 . . . . 4.3 109.854 176.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 343' ' ' GLN . . . . . 0.533 ' HG3' ' O ' ' A' ' 339' ' ' MET . 25.3 mt-30 -77.75 -17.55 57.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.547 -0.751 . . . . 6.72 110.77 179.241 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -63.2 -33.6 75.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.986 -0.552 . . . . 7.9 110.297 -178.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . 0.406 HD21 ' C ' ' A' ' 345' ' ' ASN . 0.2 OUTLIER -76.75 103.43 6.71 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.099 -0.5 . . . . 7.27 109.674 178.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -90.97 126.68 36.15 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.239 -0.652 . . . . 7.14 109.239 179.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 22.3 t -101.67 -60.75 1.48 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.355 -0.384 . . . . 5.27 110.225 -178.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 58.6 70.17 1.07 Allowed Glycine 0 CA--C 1.518 0.269 0 C-N-CA 121.263 -0.494 . . . . 5.41 112.68 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 349' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_exo -72.02 -4.28 14.84 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 122.939 2.426 . . . . 7.75 112.997 -178.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 22.6 t 71.77 -179.71 0.22 Allowed 'General case' 0 C--O 1.234 0.289 0 O-C-N 123.674 0.609 . . . . 8.54 109.972 -178.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 351' ' ' GLY . . . . . . . . . . . . . . . -160.89 51.5 0.35 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.712 -0.756 . . . . 7.52 112.151 -178.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 352' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 61.34 87.25 0.1 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.487 0.66 . . . . 8.82 110.687 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 353' ' ' ASN . . . . . . . . . . . . . 32.0 t-20 -76.51 121.98 23.91 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.376 -0.829 . . . . 10.36 110.096 -175.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -83.02 158.77 22.37 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.728 -0.669 . . . . 11.75 111.092 -177.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 355' ' ' ASN . . . . . 0.422 ' HB3' ' SD ' ' A' ' 359' ' ' MET . 33.5 t30 -63.48 123.27 18.33 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.551 -0.749 . . . . 13.09 110.166 177.056 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -73.33 88.82 1.56 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.535 0.683 . . . . 15.22 110.913 -177.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -172.44 176.87 45.3 Favored Glycine 0 N--CA 1.442 -0.916 0 CA-C-N 115.111 -0.949 . . . . 15.83 110.759 178.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 358' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -82.67 86.09 6.91 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.97 0.414 . . . . 18.95 110.424 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 359' ' ' MET . . . . . 0.422 ' SD ' ' HB3' ' A' ' 355' ' ' ASN . 59.6 mtm -96.85 84.78 3.65 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.054 -0.521 . . . . 18.87 110.06 178.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 360' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 . . . . . 0 C--O 1.252 1.192 0 CA-C-O 118.496 -0.764 . . . . 18.61 109.818 -179.474 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 311' ' ' MET . . . . . . . . . . . . . 95.8 mmm . . . . . 0 N--CA 1.481 1.111 0 N-CA-C 109.612 -0.514 . . . . 20.35 109.612 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 312' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -77.61 71.86 4.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.354 0.597 . . . . 17.91 112.221 -171.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 313' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -102.83 27.25 7.18 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 107.737 -1.209 . . . . 19.3 107.737 167.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 314' ' ' GLY . . . . . . . . . . . . . . . 138.19 147.58 5.21 Favored Glycine 0 N--CA 1.443 -0.895 0 CA-C-N 113.923 -1.49 . . . . 15.31 109.975 -172.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -67.68 -62.44 1.41 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 117.234 0.517 . . . . 14.46 110.802 -178.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 316' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 57.4 32.29 21.55 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.261 0.553 . . . . 15.12 110.829 -179.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 8.6 m -69.96 -26.75 64.26 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.354 0.597 . . . . 12.05 109.669 177.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 318' ' ' ILE . . . . . . . . . . . . . 26.3 pt -134.11 148.98 29.94 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 CA-C-N 115.221 -0.899 . . . . 10.91 109.717 177.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -83.68 145.86 48.45 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 109.136 -0.69 . . . . 8.44 109.136 175.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 320' ' ' PRO . . . . . 0.543 ' HD2' ' SD ' ' A' ' 323' ' ' MET . 31.5 Cg_exo -59.01 136.99 77.12 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.948 2.432 . . . . 6.26 112.591 -175.597 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -73.82 -21.96 59.96 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.88 -0.6 . . . . 6.05 110.875 -177.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 24.6 ptt? -63.96 -23.66 67.42 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.072 -0.513 . . . . 8.18 110.728 177.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 323' ' ' MET . . . . . 0.543 ' SD ' ' HD2' ' A' ' 320' ' ' PRO . 88.6 mtp -62.25 -44.95 95.38 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 110.082 -0.34 . . . . 6.83 110.082 177.171 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -69.5 -39.13 77.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.084 0.468 . . . . 4.6 110.385 179.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -62.98 -38.5 91.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.957 -0.565 . . . . 4.85 110.885 178.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -70.36 -23.36 62.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.151 -0.477 . . . . 5.05 110.981 179.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -75.86 -36.17 59.67 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.29 0.567 . . . . 7.27 109.613 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -78.82 -23.76 44.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.704 -0.68 . . . . 4.28 109.856 175.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -69.12 -25.56 64.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.493 -0.776 . . . . 5.8 111.43 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 90.4 mt -60.19 -33.81 72.74 Favored 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 109.386 -0.598 . . . . 8.01 109.386 176.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 51.16 88.55 0.03 OUTLIER 'General case' 0 C--O 1.235 0.296 0 CA-C-N 114.636 -1.165 . . . . 8.52 113.829 170.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 89.0 p -107.26 -2.3 20.89 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.344 -0.984 . . . . 6.81 108.344 167.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 10.7 t -95.86 134.19 39.12 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 114.347 -1.297 . . . . 5.84 111.249 -178.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 61.1 p-90 -101.36 151.89 21.37 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.73 -0.841 . . . . 6.78 108.73 171.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 335' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -104.74 -26.49 12.25 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.629 -0.428 . . . . 6.94 111.41 -173.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 51.3 tpp -175.51 -17.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.305 0.574 . . . . 9.16 110.167 -178.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 337' ' ' MET . . . . . 0.435 ' SD ' ' N ' ' A' ' 337' ' ' MET . 1.2 mpt? -70.84 -23.36 62.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.496 -0.775 . . . . 7.56 110.082 -177.714 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . 51.87 48.43 51.22 Favored Glycine 0 C--N 1.334 0.466 0 C-N-CA 120.88 -0.676 . . . . 3.38 111.849 -177.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 339' ' ' MET . . . . . 0.596 ' O ' ' HG2' ' A' ' 343' ' ' GLN . 84.2 mtp -60.38 -45.49 93.34 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 122.235 0.214 . . . . 7.13 111.104 -171.223 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 340' ' ' LEU . . . . . 0.456 ' O ' ' HB2' ' A' ' 344' ' ' GLN . 44.9 tp -67.41 -31.05 70.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.279 -0.419 . . . . 6.88 111.014 -174.584 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -73.65 -25.75 60.43 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.931 0.396 . . . . 4.93 110.887 178.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 40.6 m -88.81 -42.79 11.69 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.239 -0.437 . . . . 4.3 110.95 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 343' ' ' GLN . . . . . 0.596 ' HG2' ' O ' ' A' ' 339' ' ' MET . 3.8 pt20 -79.91 -1.83 41.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.837 0.351 . . . . 6.72 111.136 -177.444 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 344' ' ' GLN . . . . . 0.456 ' HB2' ' O ' ' A' ' 340' ' ' LEU . 8.9 tt0 -79.25 -14.82 58.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.527 0.68 . . . . 7.9 109.634 174.17 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 54.71 33.73 20.09 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 114.424 -1.262 . . . . 7.27 111.627 177.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 69.26 -63.89 0.36 Allowed 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.869 0.731 . . . . 7.14 111.485 -178.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 53.6 m 54.87 70.68 0.6 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.121 0.486 . . . . 5.27 110.689 -177.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . -144.5 158.83 27.64 Favored Glycine 0 N--CA 1.442 -0.929 0 C-N-CA 120.608 -0.806 . . . . 5.41 112.234 -178.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 349' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -75.01 -5.6 16.99 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 123.399 2.733 . . . . 7.75 112.735 -178.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 38.1 m -133.06 58.41 1.77 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.262 0.553 . . . . 8.54 110.827 -178.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 351' ' ' GLY . . . . . . . . . . . . . . . -99.43 19.95 51.73 Favored Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.697 -0.683 . . . . 7.52 111.547 178.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 352' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -84.34 103.02 13.16 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.773 -0.454 . . . . 8.82 109.773 -178.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 353' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -87.72 107.14 18.5 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.179 0.514 . . . . 10.36 111.146 -177.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -113.85 -46.03 3.05 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.612 -0.722 . . . . 11.75 110.543 178.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 355' ' ' ASN . . . . . . . . . . . . . 29.2 p30 -134.2 -7.2 2.64 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.292 -0.413 . . . . 13.09 111.687 -178.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.46 103.0 2.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.624 0.726 . . . . 15.22 110.463 177.426 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -167.05 86.46 0.1 OUTLIER Glycine 0 N--CA 1.44 -1.057 0 N-CA-C 110.521 -1.032 . . . . 15.83 110.521 -179.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 358' ' ' ASN . . . . . 0.49 ' N ' HD21 ' A' ' 358' ' ' ASN . 0.1 OUTLIER -71.49 58.63 0.28 Allowed 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 121.089 0.471 . . . . 18.95 112.152 -178.234 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 359' ' ' MET . . . . . . . . . . . . . 1.9 mpt? 69.0 -68.54 0.18 Allowed 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.517 -0.765 . . . . 18.87 110.987 -179.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 360' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.78 -0.629 . . . . 18.61 109.785 179.637 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 311' ' ' MET . . . . . . . . . . . . . 21.7 ttt . . . . . 0 N--CA 1.482 1.17 0 N-CA-C 109.402 -0.592 . . . . 20.35 109.402 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 312' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -83.94 142.91 30.19 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.107 -0.497 . . . . 17.91 111.258 -172.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 313' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -145.06 162.25 37.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.754 -0.657 . . . . 19.3 109.545 175.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 314' ' ' GLY . . . . . . . . . . . . . . . -157.22 131.72 3.01 Favored Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 111.368 -0.693 . . . . 15.31 111.368 179.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -65.3 -67.72 0.42 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.714 0.292 . . . . 14.46 110.775 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 316' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -116.04 -25.28 7.72 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.257 -0.429 . . . . 15.12 110.625 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 32.5 t -158.3 150.36 21.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.038 0.447 . . . . 12.05 110.352 179.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 318' ' ' ILE . . . . . . . . . . . . . 32.2 pt -101.31 11.86 7.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.867 -0.606 . . . . 10.91 110.845 178.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -90.87 139.32 26.02 Favored Pre-proline 0 C--N 1.326 -0.427 0 N-CA-C 109.353 -0.61 . . . . 8.44 109.353 178.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_endo -59.12 137.75 81.14 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.884 2.389 . . . . 6.26 112.442 -178.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -72.94 -21.71 60.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.856 -0.611 . . . . 6.05 111.573 -173.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 44.1 mtm -59.88 -34.48 73.22 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.271 0.558 . . . . 8.18 110.284 178.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 20.5 mmt -71.24 -40.86 70.77 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.605 -0.725 . . . . 6.83 110.263 -177.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -65.94 -39.17 90.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.091 -0.504 . . . . 4.6 110.383 177.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -64.33 -39.19 93.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.044 -0.526 . . . . 4.85 110.892 178.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -72.81 -22.79 60.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.157 0.504 . . . . 5.05 110.875 177.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -76.63 -35.38 58.07 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.731 -0.668 . . . . 7.27 109.546 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -79.29 -20.4 48.11 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.475 -0.784 . . . . 4.28 110.524 175.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -73.19 -34.64 66.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.08 -0.509 . . . . 5.8 111.086 178.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 43.3 tp -71.01 -23.51 62.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.57 -0.741 . . . . 8.01 110.216 178.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -107.94 -155.82 0.56 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.255 -0.884 . . . . 8.52 109.676 179.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 12.1 m 74.81 -53.83 0.67 Allowed 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.388 0.675 . . . . 6.81 110.754 179.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 11.1 p -93.61 131.17 39.15 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.398 -0.593 . . . . 5.84 109.398 173.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 21.5 m-90 -94.58 149.69 20.99 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.103 0.477 . . . . 6.78 111.471 -175.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 335' ' ' ASP . . . . . . . . . . . . . 22.3 t70 169.38 -41.39 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.574 -1.194 . . . . 6.94 108.314 -176.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 67.6 mtm -108.81 -51.53 2.87 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.708 -1.133 . . . . 9.16 109.401 -179.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 24.2 mmt -71.41 -22.29 61.88 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.499 -0.773 . . . . 7.56 109.816 176.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -80.46 -6.13 89.46 Favored Glycine 0 N--CA 1.448 -0.52 0 CA-C-N 115.251 -0.886 . . . . 3.38 111.769 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 339' ' ' MET . . . . . 0.441 ' O ' ' HG3' ' A' ' 343' ' ' GLN . 62.6 mtt -68.27 -32.61 72.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.657 0.265 . . . . 7.13 110.349 -178.627 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.84 -28.7 69.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 6.88 110.885 -178.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -74.84 -20.24 59.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 4.93 110.586 179.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 6.1 m -96.36 -48.4 5.6 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.081 -0.509 . . . . 4.3 110.775 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 343' ' ' GLN . . . . . 0.629 ' HA ' ' O ' ' A' ' 346' ' ' GLN . 0.0 OUTLIER -76.14 -2.75 32.55 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.004 -0.544 . . . . 6.72 112.079 -171.754 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -71.28 -24.51 62.17 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.053 0.454 . . . . 7.9 110.238 174.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -95.21 -56.72 2.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.408 0.623 . . . . 7.27 109.509 176.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 346' ' ' GLN . . . . . 0.629 ' O ' ' HA ' ' A' ' 343' ' ' GLN . 93.7 mt-30 -121.96 111.91 17.64 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.245 -0.889 . . . . 7.14 109.278 177.125 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 9.0 t -73.12 84.03 1.32 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.036 0.446 . . . . 5.27 110.078 -178.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 105.0 -172.84 20.24 Favored Glycine 0 N--CA 1.443 -0.857 0 N-CA-C 111.718 -0.553 . . . . 5.41 111.718 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 349' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -76.78 -5.17 15.74 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 123.549 2.833 . . . . 7.75 112.215 179.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 15.9 m -80.77 57.38 2.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.042 -0.526 . . . . 8.54 111.034 -178.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 351' ' ' GLY . . . . . . . . . . . . . . . -73.92 -23.22 76.87 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.859 -0.686 . . . . 7.52 111.403 176.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 352' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -144.74 123.56 12.65 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.419 -0.586 . . . . 8.82 109.419 176.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 353' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -74.42 -32.27 62.6 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.302 -0.408 . . . . 10.36 110.973 -174.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -90.64 44.02 1.18 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.393 0.616 . . . . 11.75 110.427 -177.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 355' ' ' ASN . . . . . . . . . . . . . 32.2 t30 -70.31 -71.89 0.22 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.972 -0.558 . . . . 13.09 110.837 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -162.45 118.49 1.93 Allowed 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.94 -0.393 . . . . 15.22 109.94 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 89.13 -133.95 12.11 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.76 -0.733 . . . . 15.83 111.883 -178.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 358' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -137.52 161.19 37.05 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.325 -0.62 . . . . 18.95 109.325 -178.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 359' ' ' MET . . . . . . . . . . . . . 24.0 ptt? -75.99 61.94 1.57 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.909 0.861 . . . . 18.87 110.185 178.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 360' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 . . . . . 0 C--O 1.249 1.067 0 CA-C-N 114.628 -1.169 . . . . 18.61 110.387 -175.109 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 311' ' ' MET . . . . . 0.545 ' HE3' ' HA2' ' A' ' 314' ' ' GLY . 26.0 ttt . . . . . 0 N--CA 1.482 1.149 0 CA-C-O 120.987 0.422 . . . . 20.35 110.212 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 312' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -80.7 -74.22 0.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.291 -0.413 . . . . 17.91 110.373 179.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 313' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -97.13 -12.03 23.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.97 0.414 . . . . 19.3 110.518 176.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 314' ' ' GLY . . . . . 0.545 ' HA2' ' HE3' ' A' ' 311' ' ' MET . . . 150.15 -125.3 1.92 Allowed Glycine 0 N--CA 1.446 -0.66 0 N-CA-C 111.295 -0.722 . . . . 15.31 111.295 -177.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -112.22 147.35 36.39 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 110.096 -0.335 . . . . 14.46 110.096 178.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 316' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -96.34 149.69 21.41 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.072 0.463 . . . . 15.12 110.877 179.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 14.0 m -77.48 80.68 3.96 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.542 -0.754 . . . . 12.05 110.661 -179.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 318' ' ' ILE . . . . . . . . . . . . . 11.1 tt -139.89 130.04 29.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.227 0.537 . . . . 10.91 110.879 -178.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -110.5 140.52 22.61 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 115.426 -0.806 . . . . 8.44 109.559 177.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -66.16 136.47 44.29 Favored 'Trans proline' 0 C--N 1.343 0.261 0 C-N-CA 122.228 1.952 . . . . 6.26 111.507 177.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -64.72 -23.75 67.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.853 -0.612 . . . . 6.05 111.455 -172.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -62.1 -33.8 75.12 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.99 -0.55 . . . . 8.18 110.915 176.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 65.8 mtt -76.4 -29.52 57.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.924 0.392 . . . . 6.83 110.343 -179.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -71.52 -39.56 70.68 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.938 -0.574 . . . . 4.6 109.949 176.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -66.51 -39.24 88.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.97 -0.559 . . . . 4.85 110.757 178.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -68.02 -25.75 65.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.136 -0.484 . . . . 5.05 111.379 179.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -81.78 -34.0 30.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.237 0.541 . . . . 7.27 109.598 179.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -75.45 -14.71 60.45 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.738 -0.665 . . . . 4.28 110.647 177.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -64.2 -23.47 67.32 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.504 -0.771 . . . . 5.8 111.095 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 85.6 mt -61.75 -23.64 66.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.812 -0.631 . . . . 8.01 110.96 178.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -100.01 114.71 28.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.313 -0.403 . . . . 8.52 110.224 178.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 13.6 m -73.68 90.79 1.84 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.003 0.43 . . . . 6.81 110.71 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 4.3 p -88.55 142.84 27.37 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.18 -0.464 . . . . 5.84 110.9 178.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 67.3 p-90 -94.63 152.73 18.26 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.305 -0.407 . . . . 6.78 110.162 178.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 335' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -148.18 -12.76 0.36 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.359 -0.382 . . . . 6.94 111.22 -178.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 39.5 tpp -156.93 -31.27 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 121.002 -0.279 . . . . 9.16 110.731 -172.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 60.4 mtm -71.75 -9.04 57.69 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.617 0.246 . . . . 7.56 111.397 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -86.68 46.53 3.59 Favored Glycine 0 C--O 1.23 -0.138 0 C-N-CA 120.345 -0.931 . . . . 3.38 111.922 179.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 339' ' ' MET . . . . . 0.413 ' O ' ' HG3' ' A' ' 343' ' ' GLN . 88.7 mtp -68.05 -37.41 81.29 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.173 0.434 . . . . 7.13 112.173 -172.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -63.07 -25.27 68.29 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 111.839 0.311 . . . . 6.88 111.839 -172.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -72.36 -24.13 61.23 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.875 0.369 . . . . 4.93 110.935 177.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 15.4 m -101.91 -27.0 13.23 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.086 -0.506 . . . . 4.3 111.11 -179.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 343' ' ' GLN . . . . . 0.413 ' HG3' ' O ' ' A' ' 339' ' ' MET . 39.2 mt-30 -75.7 -11.25 59.96 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 111.81 0.3 . . . . 6.72 111.81 -174.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 25.4 pt20 -69.96 -26.87 64.32 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.414 -0.587 . . . . 7.9 109.414 172.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -89.76 -13.15 37.34 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.48 -0.782 . . . . 7.27 109.525 179.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -79.52 50.77 1.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.204 -0.907 . . . . 7.14 109.796 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 14.8 m -75.39 107.11 7.29 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.84 -0.618 . . . . 5.27 110.456 -178.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . -118.62 163.28 13.14 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.775 -0.726 . . . . 5.41 111.965 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 349' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -73.34 -5.28 16.87 Favored 'Trans proline' 0 C--O 1.234 0.307 0 C-N-CA 122.884 2.389 . . . . 7.75 112.72 179.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 24.6 t 75.81 -52.18 0.63 Allowed 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 123.841 0.856 . . . . 8.54 111.477 178.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 351' ' ' GLY . . . . . . . . . . . . . . . 157.81 99.99 0.16 Allowed Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.769 -0.729 . . . . 7.52 112.091 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 352' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -99.01 76.01 2.08 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.247 0.546 . . . . 8.82 109.774 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 353' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -136.24 75.22 1.53 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.762 -0.653 . . . . 10.36 110.311 -177.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 64.07 172.97 0.18 Allowed 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.89 0.852 . . . . 11.75 112.657 176.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 355' ' ' ASN . . . . . . . . . . . . . 55.7 m-80 -131.93 105.65 7.57 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.045 -0.979 . . . . 13.09 108.882 173.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 49.6 tp60 -123.43 -23.8 4.74 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.987 0.422 . . . . 15.22 110.761 -175.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 130.74 -77.3 0.4 Allowed Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 111.041 -0.824 . . . . 15.83 111.041 -177.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 358' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -93.75 67.1 3.8 Favored 'General case' 0 C--N 1.317 -0.804 0 CA-C-O 121.39 0.614 . . . . 18.95 110.416 177.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 359' ' ' MET . . . . . . . . . . . . . 48.4 tpp -94.94 83.28 3.94 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.188 0.518 . . . . 18.87 110.304 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 360' ' ' GLN . . . . . 0.414 ' NE2' ' H ' ' A' ' 360' ' ' GLN . 0.4 OUTLIER . . . . . 0 C--O 1.252 1.226 0 CA-C-N 115.829 -0.623 . . . . 18.61 110.102 178.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 311' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.481 1.084 0 N-CA-C 109.623 -0.51 . . . . 20.35 109.623 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 312' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -161.29 148.86 15.14 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.411 -0.589 . . . . 17.91 109.411 179.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 313' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -83.36 107.46 15.89 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.781 0.324 . . . . 19.3 110.135 -177.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 314' ' ' GLY . . . . . . . . . . . . . . . 119.25 28.27 2.02 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 121.016 -0.611 . . . . 15.31 111.728 -176.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -106.71 -9.07 16.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.94 0.4 . . . . 14.46 110.842 178.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 316' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -116.4 23.88 11.76 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.473 0.654 . . . . 15.12 109.98 -177.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 2.0 p -112.39 119.59 38.79 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.877 -0.601 . . . . 12.05 111.594 -177.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 318' ' ' ILE . . . . . . . . . . . . . 2.5 mp 71.22 -50.2 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 123.589 0.755 . . . . 10.91 112.035 177.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 319' ' ' ASN . . . . . 0.409 ' HA ' ' HD3' ' A' ' 320' ' ' PRO . 50.1 m-80 -95.3 144.43 27.8 Favored Pre-proline 0 C--N 1.319 -0.719 0 CA-C-N 116.575 -0.284 . . . . 8.44 110.273 -179.021 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 320' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 319' ' ' ASN . 16.7 Cg_exo -68.11 136.63 38.3 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.347 2.032 . . . . 6.26 111.299 176.482 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -74.57 -30.47 61.73 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.625 -0.716 . . . . 6.05 110.913 -176.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 45.1 ttm -63.93 -41.36 97.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.066 -0.516 . . . . 8.18 110.802 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 323' ' ' MET . . . . . 0.464 ' O ' ' HG3' ' A' ' 327' ' ' GLN . 46.7 tpp -66.6 -44.04 83.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.271 -0.422 . . . . 6.83 110.424 179.21 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -64.97 -38.98 92.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 4.6 110.94 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -68.53 -34.09 75.25 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.026 -0.534 . . . . 4.85 110.881 178.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -68.01 -26.58 65.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.432 -0.349 . . . . 5.05 111.046 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 327' ' ' GLN . . . . . 0.464 ' HG3' ' O ' ' A' ' 323' ' ' MET . 52.0 mt-30 -76.27 -29.12 57.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.161 0.505 . . . . 7.27 109.826 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -85.37 -20.54 29.75 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.984 -0.553 . . . . 4.28 109.885 174.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -73.33 -31.22 63.86 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.749 -0.659 . . . . 5.8 111.516 -178.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 327' ' ' GLN . 4.3 pp -72.36 -23.49 61.14 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.295 -0.411 . . . . 8.01 111.218 -177.026 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -93.31 133.17 36.82 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 109.714 -0.476 . . . . 8.52 109.714 177.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 1.8 p -98.92 168.6 10.0 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 116.094 -0.503 . . . . 6.81 110.423 178.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 3.3 t -70.8 131.24 43.51 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 108.693 -0.855 . . . . 5.84 108.693 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 25.0 p90 -94.9 150.58 20.03 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.363 0.601 . . . . 6.78 112.149 -169.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 335' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -147.39 -23.32 0.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.247 -0.888 . . . . 6.94 109.677 176.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 55.4 ttp -110.91 -41.84 4.14 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.555 -0.906 . . . . 9.16 108.555 176.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 96.4 mmm -71.81 -10.97 60.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.463 -0.789 . . . . 7.56 109.601 174.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -67.67 -5.52 38.24 Favored Glycine 0 C--N 1.333 0.365 0 CA-C-N 115.66 -0.7 . . . . 3.38 111.937 175.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 339' ' ' MET . . . . . 0.662 ' O ' ' HG2' ' A' ' 343' ' ' GLN . 26.2 ttt -64.69 -33.97 77.21 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.626 -0.509 . . . . 7.13 109.626 178.369 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 50.0 tp -64.68 -29.81 70.81 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.439 -0.8 . . . . 6.88 110.663 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -74.96 -25.02 58.56 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.047 0.451 . . . . 4.93 110.448 178.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 45.0 m -85.62 -15.74 41.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.056 -0.52 . . . . 4.3 110.297 177.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 343' ' ' GLN . . . . . 0.662 ' HG2' ' O ' ' A' ' 339' ' ' MET . 31.2 mm-40 -76.49 -3.18 35.97 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.014 -0.539 . . . . 6.72 110.191 179.527 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -64.25 -26.52 68.54 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 121.68 0.752 . . . . 7.9 109.029 172.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . 0.523 ' HB2' ' HA ' ' A' ' 349' ' ' PRO . 37.7 m-80 -103.29 88.38 3.11 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.944 -1.025 . . . . 7.27 108.659 173.706 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -84.86 3.26 38.78 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.172 -0.467 . . . . 7.14 111.777 -173.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 38.6 m -111.66 16.97 20.35 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.554 0.692 . . . . 5.27 109.207 172.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 348' ' ' GLY . . . . . 0.403 ' HA2' ' HD3' ' A' ' 349' ' ' PRO . . . 113.47 128.57 4.83 Favored Glycine 0 N--CA 1.446 -0.692 0 CA-C-N 115.239 -0.891 . . . . 5.41 111.696 -178.455 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 349' ' ' PRO . . . . . 0.523 ' HA ' ' HB2' ' A' ' 345' ' ' ASN . 31.8 Cg_exo -59.93 -24.38 76.04 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.881 2.387 . . . . 7.75 111.748 -177.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 48.7 m -146.54 41.08 1.12 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.256 -0.884 . . . . 8.54 108.895 172.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 351' ' ' GLY . . . . . . . . . . . . . . . -70.22 139.5 30.94 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 115.187 -0.915 . . . . 7.52 112.514 -177.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 352' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -108.2 148.07 30.45 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.725 0.298 . . . . 8.82 110.897 -176.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 353' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -83.28 -10.85 58.28 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.717 -0.846 . . . . 10.36 108.717 170.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 64.91 -149.04 0.26 Allowed 'General case' 0 C--N 1.339 0.146 0 CA-C-N 114.9 -1.045 . . . . 11.75 111.192 173.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 355' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -80.37 109.51 14.93 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.27 -0.423 . . . . 13.09 110.595 178.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -118.44 -165.78 1.15 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.568 -0.287 . . . . 15.22 110.263 177.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 118.67 -31.11 5.68 Favored Glycine 0 N--CA 1.446 -0.665 0 N-CA-C 109.776 -1.33 . . . . 15.83 109.776 -173.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 358' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -100.79 140.69 34.72 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.524 -0.838 . . . . 18.95 108.789 171.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 359' ' ' MET . . . . . . . . . . . . . 22.8 mmt -96.0 -0.16 50.92 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.374 -0.602 . . . . 18.87 109.374 178.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 360' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 117.819 -1.086 . . . . 18.61 110.59 -179.004 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 311' ' ' MET . . . . . . . . . . . . . 87.7 mmm . . . . . 0 N--CA 1.481 1.098 0 N-CA-C 109.451 -0.574 . . . . 20.35 109.451 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 312' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -107.19 84.27 1.95 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.832 -0.433 . . . . 17.91 109.832 175.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 313' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -79.83 -52.79 7.45 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.847 -0.615 . . . . 19.3 110.351 -177.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 314' ' ' GLY . . . . . . . . . . . . . . . 151.09 163.58 11.46 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.735 -0.745 . . . . 15.31 111.842 -178.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . 55.99 39.08 30.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.045 0.45 . . . . 14.46 111.415 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 316' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -90.37 45.66 1.28 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.874 0.845 . . . . 15.12 109.85 179.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 15.0 m -78.19 -14.33 59.5 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.486 -0.779 . . . . 12.05 110.191 178.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 318' ' ' ILE . . . . . 0.442 HD11 ' N ' ' A' ' 318' ' ' ILE . 4.3 mp -97.06 108.92 22.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.879 -0.6 . . . . 10.91 109.832 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 25.9 p-10 -84.09 150.63 58.62 Favored Pre-proline 0 C--N 1.322 -0.612 0 N-CA-C 109.524 -0.547 . . . . 8.44 109.524 177.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo -64.54 135.92 47.89 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.382 2.054 . . . . 6.26 112.197 -178.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -72.33 -18.35 61.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.605 -0.725 . . . . 6.05 111.142 -178.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 28.4 ttt -58.08 -28.42 64.55 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.666 -0.697 . . . . 8.18 111.428 -177.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 27.6 ttt -65.32 -40.29 93.54 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.924 0.392 . . . . 6.83 110.447 177.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -73.37 -33.75 65.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 4.6 110.495 179.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -61.81 -39.18 90.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.867 -0.606 . . . . 4.85 110.523 177.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -67.45 -24.94 65.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.121 -0.49 . . . . 5.05 110.838 179.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -76.2 -36.07 58.78 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.568 -0.531 . . . . 7.27 109.568 -179.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -74.92 -32.4 61.77 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.686 -0.688 . . . . 4.28 109.834 174.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -64.95 -36.76 85.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.628 -0.715 . . . . 5.8 111.342 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -70.98 -36.08 72.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 8.01 110.952 178.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -83.62 55.54 3.26 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.425 0.631 . . . . 8.52 110.284 -179.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 20.2 m -119.83 -20.44 7.58 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.614 -0.721 . . . . 6.81 110.68 178.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 11.3 t -96.16 150.39 20.57 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.503 -0.555 . . . . 5.84 109.503 177.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 34.4 p90 -96.65 152.32 18.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.979 0.418 . . . . 6.78 111.469 -176.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 335' ' ' ASP . . . . . . . . . . . . . 20.8 t0 178.75 49.59 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 107.567 -1.271 . . . . 6.94 107.567 -174.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 61.7 mtm -121.18 -45.04 2.37 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.691 -1.14 . . . . 9.16 110.682 -175.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 64.1 mtt -83.25 -18.37 39.41 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.011 -0.541 . . . . 7.56 110.841 -178.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . 65.02 46.36 89.32 Favored Glycine 0 N--CA 1.452 -0.281 0 CA-C-N 115.524 -0.762 . . . . 3.38 111.928 -178.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 88.1 mtp -59.95 -29.37 68.36 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 122.572 0.349 . . . . 7.13 111.907 -172.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 89.3 mt -58.53 -26.57 63.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.242 -0.435 . . . . 6.88 111.741 -175.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -72.33 -24.25 61.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.718 -0.219 . . . . 4.93 111.5 -176.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 20.2 t -107.68 -22.11 12.62 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.87 -0.332 . . . . 4.3 111.046 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -76.83 -23.33 52.75 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.913 -0.315 . . . . 6.72 111.502 -177.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -81.64 -12.26 58.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.93 0.395 . . . . 7.9 111.157 175.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . 0.424 ' HA ' ' O ' ' A' ' 348' ' ' GLY . 2.8 t-20 -136.45 43.43 2.47 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.661 0.743 . . . . 7.27 109.829 -178.241 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -85.81 -59.32 2.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.689 -0.687 . . . . 7.14 109.979 -178.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 15.7 p -107.85 63.87 0.62 Allowed 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.507 -0.553 . . . . 5.27 109.507 175.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 348' ' ' GLY . . . . . 0.424 ' O ' ' HA ' ' A' ' 345' ' ' ASN . . . 77.74 -152.25 38.72 Favored Glycine 0 N--CA 1.444 -0.771 0 N-CA-C 110.835 -0.906 . . . . 5.41 110.835 -172.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 349' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -77.6 -24.27 9.06 Favored 'Trans proline' 0 N--CA 1.461 -0.438 0 C-N-CA 122.19 1.927 . . . . 7.75 111.98 176.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 14.9 m -100.55 105.46 16.88 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.839 -0.618 . . . . 8.54 110.936 -177.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 351' ' ' GLY . . . . . . . . . . . . . . . -77.69 -12.37 84.54 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.741 -0.742 . . . . 7.52 112.264 177.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 352' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -117.82 74.77 0.96 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.973 -0.38 . . . . 8.82 109.973 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 353' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -79.29 91.4 5.02 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.18 0.514 . . . . 10.36 110.756 -177.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -151.9 74.53 1.11 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.39 -0.823 . . . . 11.75 109.44 173.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 355' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -96.01 95.4 8.18 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.241 -0.89 . . . . 13.09 110.931 -174.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -94.1 99.8 12.02 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.185 -0.462 . . . . 15.22 110.034 179.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -138.97 -143.46 4.44 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.939 -0.648 . . . . 15.83 111.979 -178.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 358' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -110.29 32.87 4.82 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.817 0.341 . . . . 18.95 110.31 -177.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 359' ' ' MET . . . . . . . . . . . . . 15.7 tpt 61.13 40.94 14.27 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 121.964 0.888 . . . . 18.87 109.601 -175.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 360' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 . . . . . 0 C--O 1.247 0.934 0 CA-C-N 114.941 -1.027 . . . . 18.61 109.066 176.043 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 19.9 ptp . . . . . 0 CA--C 1.528 0.118 0 CA-C-O 120.644 0.259 . . . . 7.8099999999999996 111.194 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 323' ' ' MET . . . . . 0.544 ' O ' ' HG2' ' A' ' 327' ' ' GLN . 25.0 mmt -70.3 -45.43 66.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.853 0.359 . . . . 6.3899999999999997 110.174 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -70.1 -39.37 75.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.028 -0.533 . . . . 4.21 110.932 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -62.85 -36.61 83.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.066 -0.516 . . . . 4.4699999999999998 110.585 178.129 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -68.61 -28.09 66.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.22 -0.446 . . . . 4.7400000000000002 111.094 178.701 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 327' ' ' GLN . . . . . 0.544 ' HG2' ' O ' ' A' ' 323' ' ' MET . 30.2 mm-40 -77.68 -36.1 51.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.19 0.519 . . . . 6.5700000000000003 109.657 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -73.53 -18.64 61.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.424 -0.807 . . . . 4.2400000000000002 109.971 176.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.388 0 CA-C-N 115.747 -0.661 . . . . 5.7999999999999998 110.974 178.252 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.451 0 N-CA-C 112.567 -0.213 . . . . 3.3599999999999999 112.567 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 339' ' ' MET . . . . . 0.499 ' O ' ' HG3' ' A' ' 343' ' ' GLN . 64.0 mtt -59.61 -28.38 67.14 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 122.542 0.337 . . . . 6.75 111.493 178.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 340' ' ' LEU . . . . . 0.546 ' H ' HD22 ' A' ' 340' ' ' LEU . 2.9 mm? -57.44 -28.0 62.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 6.5599999999999996 111.086 -176.756 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -72.98 -15.98 61.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.426 -0.352 . . . . 4.4699999999999998 111.461 -179.233 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 8.6 t -106.52 -17.54 14.23 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.941 0.4 . . . . 4.2699999999999996 110.417 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 343' ' ' GLN . . . . . 0.499 ' HG3' ' O ' ' A' ' 339' ' ' MET . 26.2 mt-30 -76.91 -16.99 59.22 Favored 'General case' 0 N--CA 1.462 0.129 0 CA-C-N 116.222 -0.445 . . . . 5.9500000000000002 110.702 -179.185 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -76.02 -12.69 60.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.927 -0.579 . . . . 7.71 110.709 177.089 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 . . . . . 0 C--N 1.323 -0.55 0 N-CA-C 109.514 -0.55 . . . . 6.7999999999999998 109.514 179.615 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 65.7 mtt . . . . . 0 C--O 1.227 -0.107 0 CA-C-O 120.464 0.173 . . . . 7.8099999999999996 111.353 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 37.8 mtm -66.08 -45.42 81.33 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.798 -0.361 . . . . 6.3899999999999997 110.147 179.553 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -68.36 -38.96 81.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.07 -0.514 . . . . 4.21 110.547 178.552 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -66.14 -39.7 90.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.697 -0.683 . . . . 4.4699999999999998 111.358 -178.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -67.79 -19.23 65.07 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.817 0.341 . . . . 4.7400000000000002 111.73 -178.097 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -90.38 -33.28 16.11 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.096 0.474 . . . . 6.5700000000000003 109.77 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -81.42 -33.46 32.15 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.792 -0.64 . . . . 4.2400000000000002 110.591 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.543 0 CA-C-N 116.053 -0.522 . . . . 5.7999999999999998 112.142 -176.382 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 N-CA-C 112.967 -0.053 . . . . 3.3599999999999999 112.967 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 339' ' ' MET . . . . . 0.548 ' O ' ' HG2' ' A' ' 343' ' ' GLN . 63.0 mtm -59.42 -36.19 75.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.764 0.316 . . . . 6.75 111.01 -175.801 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 340' ' ' LEU . . . . . 0.569 ' H ' HD22 ' A' ' 340' ' ' LEU . 2.4 mm? -66.56 -20.93 66.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.443 -0.344 . . . . 6.5599999999999996 111.46 -176.447 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -89.02 -12.67 40.71 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.13 0.49 . . . . 4.4699999999999998 110.402 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 30.4 t -107.22 -35.63 6.77 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.829 -0.623 . . . . 4.2699999999999996 111.388 -177.329 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 343' ' ' GLN . . . . . 0.548 ' HG2' ' O ' ' A' ' 339' ' ' MET . 14.0 pt20 -93.82 -2.74 53.12 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.809 0.338 . . . . 5.9500000000000002 111.246 -176.455 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 344' ' ' GLN . . . . . 0.479 ' HB2' ' O ' ' A' ' 340' ' ' LEU . 49.7 tt0 -75.12 -32.36 61.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.214 0.531 . . . . 7.71 110.103 177.364 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 9.0 p30 . . . . . 0 C--N 1.324 -0.54 0 CA-C-N 115.578 -0.737 . . . . 6.7999999999999998 109.491 178.889 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 24.5 ttt . . . . . 0 CA--C 1.527 0.071 0 CA-C-O 120.607 0.242 . . . . 7.8099999999999996 110.905 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 323' ' ' MET . . . . . 0.419 ' HA ' ' CE ' ' A' ' 323' ' ' MET . 9.2 mmt -69.51 -45.27 69.28 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.09 0.471 . . . . 6.3899999999999997 110.323 -178.071 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -70.22 -39.25 75.22 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.872 -0.604 . . . . 4.21 110.903 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -66.53 -27.94 68.16 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.225 -0.443 . . . . 4.4699999999999998 111.225 -178.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -72.44 -34.28 67.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.398 -0.365 . . . . 4.7400000000000002 111.655 -178.264 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -88.02 -28.75 21.2 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.192 0.52 . . . . 6.5700000000000003 109.844 -178.53 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -74.84 -14.88 60.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.444 -0.798 . . . . 4.2400000000000002 109.832 178.051 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.379 0 CA-C-N 115.917 -0.583 . . . . 5.7999999999999998 110.815 178.027 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.463 0 N-CA-C 112.417 -0.273 . . . . 3.3599999999999999 112.417 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 95.3 mmm -77.64 -27.34 50.99 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.991 0.424 . . . . 6.75 110.966 -177.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 340' ' ' LEU . . . . . 0.495 ' O ' ' HG3' ' A' ' 344' ' ' GLN . 7.4 mp -57.68 -25.99 61.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.74 -0.664 . . . . 6.5599999999999996 112.447 -172.55 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -71.32 -24.54 62.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.2 0.524 . . . . 4.4699999999999998 110.381 -178.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 24.4 m -94.82 -6.43 42.87 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.938 -0.574 . . . . 4.2699999999999996 110.033 176.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -95.79 -22.0 17.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 5.9500000000000002 110.876 178.548 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 344' ' ' GLN . . . . . 0.495 ' HG3' ' O ' ' A' ' 340' ' ' LEU . 53.3 mt-30 -68.0 -34.54 76.71 Favored 'General case' 0 CA--C 1.522 -0.123 0 CA-C-O 121.54 0.686 . . . . 7.71 109.199 174.771 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 . . . . . 0 C--N 1.321 -0.671 0 N-CA-C 108.034 -1.099 . . . . 6.7999999999999998 108.034 174.493 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 52.5 ttm . . . . . 0 CA--C 1.531 0.214 0 CA-C-O 120.629 0.252 . . . . 7.8099999999999996 111.389 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 27.3 ptt? -63.16 -27.75 69.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.512 -0.313 . . . . 6.3899999999999997 110.594 -178.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -65.38 -34.27 77.92 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.958 0.409 . . . . 4.21 110.756 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -69.74 -37.98 76.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 4.4699999999999998 110.324 178.419 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -74.16 -19.46 60.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.97 -0.559 . . . . 4.7400000000000002 110.938 178.726 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -77.54 -35.17 53.55 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.971 -0.558 . . . . 6.5700000000000003 110.345 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -80.74 -21.69 40.91 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.494 0.664 . . . . 4.2400000000000002 110.063 176.692 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.393 0 CA-C-N 115.206 -0.906 . . . . 5.7999999999999998 111.525 -179.584 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.399 0 N-CA-C 112.858 -0.097 . . . . 3.3599999999999999 112.858 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 97.5 mmm -66.15 -29.44 69.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.087 0.47 . . . . 6.75 110.183 -179.539 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 340' ' ' LEU . . . . . 0.552 ' HA ' ' HG2' ' A' ' 343' ' ' GLN . 86.6 mt -58.54 -31.21 67.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.276 -0.874 . . . . 6.5599999999999996 111.195 -179.115 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -72.75 -24.91 61.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.9 0.381 . . . . 4.4699999999999998 110.904 -177.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 40.8 m -93.36 -39.29 11.02 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.362 -0.381 . . . . 4.2699999999999996 111.068 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 343' ' ' GLN . . . . . 0.552 ' HG2' ' HA ' ' A' ' 340' ' ' LEU . 20.5 pt20 -76.64 -17.64 59.05 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.555 -0.293 . . . . 5.9500000000000002 111.583 -174.72 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -80.74 -12.94 59.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.51 -0.314 . . . . 7.71 110.93 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 . . . . . 0 C--N 1.326 -0.415 0 CA-C-O 120.941 0.401 . . . . 6.7999999999999998 110.955 -174.091 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 56.3 ttp . . . . . 0 N--CA 1.458 -0.048 0 CA-C-O 121.199 0.523 . . . . 7.8099999999999996 109.989 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 15.1 tpt -77.41 -39.56 46.62 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.128 -0.487 . . . . 6.3899999999999997 110.484 178.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -64.85 -39.94 94.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.976 -0.556 . . . . 4.21 110.791 178.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -65.99 -31.68 72.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 4.4699999999999998 110.66 176.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -74.97 -21.75 58.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.875 -0.602 . . . . 4.7400000000000002 110.94 178.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -82.53 -35.13 27.56 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.39 -0.596 . . . . 6.5700000000000003 109.39 176.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -71.33 -16.02 62.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.957 -0.565 . . . . 4.2400000000000002 110.217 174.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 115.566 -0.743 . . . . 5.7999999999999998 111.028 177.938 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.126 0 N-CA-C 112.643 -0.183 . . . . 3.3599999999999999 112.643 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 339' ' ' MET . . . . . 0.526 ' O ' ' HG3' ' A' ' 343' ' ' GLN . 26.9 ttt -61.26 -28.44 69.18 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 109.629 -0.508 . . . . 6.75 109.629 176.767 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 8.0 tt -58.02 -38.47 76.26 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.684 -0.689 . . . . 6.5599999999999996 110.125 178.493 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -72.43 -25.51 61.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.896 0.379 . . . . 4.4699999999999998 110.718 -179.513 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 7.3 m -79.59 -32.53 41.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.186 0.517 . . . . 4.2699999999999996 109.854 176.57 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 343' ' ' GLN . . . . . 0.526 ' HG3' ' O ' ' A' ' 339' ' ' MET . 91.1 mt-30 -77.75 -17.55 57.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.547 -0.751 . . . . 5.9500000000000002 110.77 179.241 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -63.2 -33.6 75.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.986 -0.552 . . . . 7.71 110.297 -178.654 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 32.6 t-20 . . . . . 0 C--N 1.324 -0.524 0 CA-C-N 116.099 -0.5 . . . . 6.7999999999999998 109.674 178.975 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 24.6 ptt? . . . . . 0 N--CA 1.456 -0.144 0 CA-C-O 120.445 0.164 . . . . 7.8099999999999996 110.728 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 88.6 mtp -62.25 -44.95 95.38 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 110.082 -0.34 . . . . 6.3899999999999997 110.082 177.171 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -69.5 -39.13 77.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.084 0.468 . . . . 4.21 110.385 179.081 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -62.98 -38.5 91.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.957 -0.565 . . . . 4.4699999999999998 110.885 178.331 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -70.36 -23.36 62.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.151 -0.477 . . . . 4.7400000000000002 110.981 179.019 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -75.86 -36.17 59.67 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.29 0.567 . . . . 6.5700000000000003 109.613 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -78.82 -23.76 44.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.704 -0.68 . . . . 4.2400000000000002 109.856 175.466 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 115.493 -0.776 . . . . 5.7999999999999998 111.43 179.641 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.193 0 N-CA-C 111.849 -0.5 . . . . 3.3599999999999999 111.849 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 339' ' ' MET . . . . . 0.591 ' O ' ' HG2' ' A' ' 343' ' ' GLN . 84.2 mtp -60.38 -45.49 93.34 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 122.235 0.214 . . . . 6.75 111.104 -171.223 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 340' ' ' LEU . . . . . 0.475 ' O ' ' HB2' ' A' ' 344' ' ' GLN . 44.9 tp -67.41 -31.05 70.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.279 -0.419 . . . . 6.5599999999999996 111.014 -174.584 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -73.65 -25.75 60.43 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.931 0.396 . . . . 4.4699999999999998 110.887 178.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 40.6 m -88.81 -42.79 11.69 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.239 -0.437 . . . . 4.2699999999999996 110.95 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 343' ' ' GLN . . . . . 0.591 ' HG2' ' O ' ' A' ' 339' ' ' MET . 14.1 pt20 -79.91 -1.83 41.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.837 0.351 . . . . 5.9500000000000002 111.136 -177.444 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 344' ' ' GLN . . . . . 0.475 ' HB2' ' O ' ' A' ' 340' ' ' LEU . 51.4 tt0 -79.25 -14.82 58.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.527 0.68 . . . . 7.71 109.634 174.17 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 . . . . . 0 N--CA 1.464 0.256 0 CA-C-N 114.424 -1.262 . . . . 6.7999999999999998 111.627 177.891 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 44.1 mtm . . . . . 0 C--O 1.232 0.14 0 CA-C-O 121.271 0.558 . . . . 7.8099999999999996 110.284 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 20.5 mmt -71.24 -40.86 70.77 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.605 -0.725 . . . . 6.3899999999999997 110.263 -177.507 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -65.94 -39.17 90.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.091 -0.504 . . . . 4.21 110.383 177.359 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -64.33 -39.19 93.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.044 -0.526 . . . . 4.4699999999999998 110.892 178.438 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -72.81 -22.79 60.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.157 0.504 . . . . 4.7400000000000002 110.875 177.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -76.63 -35.38 58.07 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.731 -0.668 . . . . 6.5700000000000003 109.546 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -79.29 -20.4 48.11 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.475 -0.784 . . . . 4.2400000000000002 110.524 175.401 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.08 -0.509 . . . . 5.7999999999999998 111.086 178.931 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.52 0 N-CA-C 111.769 -0.532 . . . . 3.3599999999999999 111.769 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 339' ' ' MET . . . . . 0.453 ' O ' ' HG3' ' A' ' 343' ' ' GLN . 62.6 mtt -68.27 -32.61 72.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.657 0.265 . . . . 6.75 110.349 -178.627 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.84 -28.7 69.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 6.5599999999999996 110.885 -178.475 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -74.84 -20.24 59.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 4.4699999999999998 110.586 179.013 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 6.1 m -96.36 -48.4 5.6 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.081 -0.509 . . . . 4.2699999999999996 110.775 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 343' ' ' GLN . . . . . 0.453 ' HG3' ' O ' ' A' ' 339' ' ' MET . 0.0 OUTLIER -76.14 -2.75 32.55 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.004 -0.544 . . . . 5.9500000000000002 112.079 -171.754 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -71.28 -24.51 62.17 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.053 0.454 . . . . 7.71 110.238 174.411 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 121.408 0.623 . . . . 6.7999999999999998 109.509 176.469 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 25.7 ptt? . . . . . 0 CA--C 1.529 0.156 0 CA-C-O 120.885 0.374 . . . . 7.8099999999999996 110.915 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 65.8 mtt -76.4 -29.52 57.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.924 0.392 . . . . 6.3899999999999997 110.343 -179.533 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -71.52 -39.56 70.68 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.938 -0.574 . . . . 4.21 109.949 176.168 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -66.51 -39.24 88.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.97 -0.559 . . . . 4.4699999999999998 110.757 178.175 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -68.02 -25.75 65.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.136 -0.484 . . . . 4.7400000000000002 111.379 179.288 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -81.78 -34.0 30.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.237 0.541 . . . . 6.5700000000000003 109.598 179.34 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -75.45 -14.71 60.45 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.738 -0.665 . . . . 4.2400000000000002 110.647 177.689 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.251 0 CA-C-N 115.504 -0.771 . . . . 5.7999999999999998 111.095 179.756 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 -0.138 0 N-CA-C 111.922 -0.471 . . . . 3.3599999999999999 111.922 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 339' ' ' MET . . . . . 0.419 ' O ' ' HG3' ' A' ' 343' ' ' GLN . 88.7 mtp -68.05 -37.41 81.29 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.173 0.434 . . . . 6.75 112.173 -172.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -63.07 -25.27 68.29 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 111.839 0.311 . . . . 6.5599999999999996 111.839 -172.271 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -72.36 -24.13 61.23 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.875 0.369 . . . . 4.4699999999999998 110.935 177.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 15.4 m -101.91 -27.0 13.23 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.086 -0.506 . . . . 4.2699999999999996 111.11 -179.061 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 343' ' ' GLN . . . . . 0.419 ' HG3' ' O ' ' A' ' 339' ' ' MET . 39.2 mt-30 -75.7 -11.25 59.96 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 111.81 0.3 . . . . 5.9500000000000002 111.81 -174.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 25.4 pt20 -69.96 -26.87 64.32 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.414 -0.587 . . . . 7.71 109.414 172.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 9.9 t30 . . . . . 0 C--N 1.331 -0.204 0 CA-C-N 115.48 -0.782 . . . . 6.7999999999999998 109.525 179.231 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 45.1 ttm . . . . . 0 N--CA 1.456 -0.17 0 CA-C-O 120.827 0.346 . . . . 7.8099999999999996 110.802 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 323' ' ' MET . . . . . 0.469 ' O ' ' HG3' ' A' ' 327' ' ' GLN . 46.7 tpp -66.6 -44.04 83.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.271 -0.422 . . . . 6.3899999999999997 110.424 179.21 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -64.97 -38.98 92.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 4.21 110.94 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -68.53 -34.09 75.25 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.026 -0.534 . . . . 4.4699999999999998 110.881 178.357 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -68.01 -26.58 65.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.432 -0.349 . . . . 4.7400000000000002 111.046 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 327' ' ' GLN . . . . . 0.469 ' HG3' ' O ' ' A' ' 323' ' ' MET . 52.0 mt-30 -76.27 -29.12 57.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.161 0.505 . . . . 6.5700000000000003 109.826 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -85.37 -20.54 29.75 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.984 -0.553 . . . . 4.2400000000000002 109.885 174.518 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.433 0 CA-C-N 115.749 -0.659 . . . . 5.7999999999999998 111.516 -178.483 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 111.937 -0.465 . . . . 3.3599999999999999 111.937 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 339' ' ' MET . . . . . 0.662 ' O ' ' HG2' ' A' ' 343' ' ' GLN . 26.2 ttt -64.69 -33.97 77.21 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.626 -0.509 . . . . 6.75 109.626 178.369 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 50.0 tp -64.68 -29.81 70.81 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.439 -0.8 . . . . 6.5599999999999996 110.663 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -74.96 -25.02 58.56 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.047 0.451 . . . . 4.4699999999999998 110.448 178.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 45.0 m -85.62 -15.74 41.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.056 -0.52 . . . . 4.2699999999999996 110.297 177.513 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 343' ' ' GLN . . . . . 0.662 ' HG2' ' O ' ' A' ' 339' ' ' MET . 31.2 mm-40 -76.49 -3.18 35.97 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.014 -0.539 . . . . 5.9500000000000002 110.191 179.527 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 55.7 tp60 -64.25 -26.52 68.54 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 121.68 0.752 . . . . 7.71 109.029 172.358 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 . . . . . 0 C--N 1.325 -0.48 0 CA-C-N 114.944 -1.025 . . . . 6.7999999999999998 108.659 173.706 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 28.4 ttt . . . . . 0 CA--C 1.53 0.189 0 CA-C-O 120.552 0.215 . . . . 7.8099999999999996 111.428 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 27.6 ttt -65.32 -40.29 93.54 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.924 0.392 . . . . 6.3899999999999997 110.447 177.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -73.37 -33.75 65.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 4.21 110.495 179.009 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -61.81 -39.18 90.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.867 -0.606 . . . . 4.4699999999999998 110.523 177.793 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -67.45 -24.94 65.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.121 -0.49 . . . . 4.7400000000000002 110.838 179.337 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -76.2 -36.07 58.78 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.568 -0.531 . . . . 6.5700000000000003 109.568 -179.402 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -74.92 -32.4 61.77 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.686 -0.688 . . . . 4.2400000000000002 109.834 174.716 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 115.628 -0.715 . . . . 5.7999999999999998 111.342 -179.806 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 111.928 -0.469 . . . . 3.3599999999999999 111.928 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 88.1 mtp -59.95 -29.37 68.36 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 122.572 0.349 . . . . 6.75 111.907 -172.309 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 89.3 mt -58.53 -26.57 63.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.242 -0.435 . . . . 6.5599999999999996 111.741 -175.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -72.33 -24.25 61.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.718 -0.219 . . . . 4.4699999999999998 111.5 -176.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 20.2 t -107.68 -22.11 12.62 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.87 -0.332 . . . . 4.2699999999999996 111.046 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -76.83 -23.33 52.75 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.913 -0.315 . . . . 5.9500000000000002 111.502 -177.514 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -81.64 -12.26 58.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.93 0.395 . . . . 7.71 111.157 175.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 67.3 t30 . . . . . 0 C--N 1.324 -0.534 0 CA-C-O 121.661 0.743 . . . . 6.7999999999999998 109.829 -178.241 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 311' ' ' MET . . . . . . . . . . . . . 23.4 ptp . . . . . 0 N--CA 1.48 1.025 0 CA-C-O 120.769 0.319 . . . . 20.120000000000001 110.164 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 312' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -90.09 74.31 7.19 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.245 0.545 . . . . 17.699999999999999 110.751 -178.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 313' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -150.76 100.2 2.8 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.926 -0.579 . . . . 18.68 110.357 177.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 314' ' ' GLY . . . . . . . . . . . . . . . -178.91 -119.91 0.63 Allowed Glycine 0 N--CA 1.441 -0.967 0 CA-C-N 115.325 -0.852 . . . . 15.16 111.411 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 315' ' ' ALA . . . . . 0.4 ' HB1' ' HA ' ' A' ' 319' ' ' ASN . . . -82.59 67.37 8.61 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.991 0.424 . . . . 14.1 110.305 177.376 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 316' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -75.43 110.35 9.72 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.073 -0.512 . . . . 14.449999999999999 110.23 -178.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 15.2 m 69.39 -59.28 0.49 Allowed 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.392 -0.822 . . . . 11.83 111.241 -178.019 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 318' ' ' ILE . . . . . . . . . . . . . 66.2 mt -84.64 117.14 29.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.367 -0.378 . . . . 10.58 110.286 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 319' ' ' ASN . . . . . 0.4 ' HA ' ' HB1' ' A' ' 315' ' ' ALA . 90.8 m-20 -93.15 146.05 31.21 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.105 -0.498 . . . . 7.9000000000000004 109.962 178.506 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 320' ' ' PRO . . . . . 0.545 ' HB2' ' HG2' ' A' ' 322' ' ' MET . 27.6 Cg_endo -63.15 136.66 57.26 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.52 2.147 . . . . 5.6500000000000004 112.349 -176.056 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -73.91 -20.88 60.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.662 -0.699 . . . . 5.6799999999999997 111.364 -177.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 322' ' ' MET . . . . . 0.545 ' HG2' ' HB2' ' A' ' 320' ' ' PRO . 19.9 ptp -59.22 -31.51 69.11 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.367 -0.379 . . . . 7.8099999999999996 111.194 -179.472 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 323' ' ' MET . . . . . 0.544 ' O ' ' HG2' ' A' ' 327' ' ' GLN . 25.0 mmt -70.3 -45.43 66.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.853 0.359 . . . . 6.3899999999999997 110.174 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -70.1 -39.37 75.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.028 -0.533 . . . . 4.21 110.932 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -62.85 -36.61 83.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.066 -0.516 . . . . 4.4699999999999998 110.585 178.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -68.61 -28.09 66.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.22 -0.446 . . . . 4.7400000000000002 111.094 178.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 327' ' ' GLN . . . . . 0.544 ' HG2' ' O ' ' A' ' 323' ' ' MET . 30.2 mm-40 -77.68 -36.1 51.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.19 0.519 . . . . 6.5700000000000003 109.657 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -73.53 -18.64 61.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.424 -0.807 . . . . 4.2400000000000002 109.971 176.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -70.14 -35.75 74.28 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.747 -0.661 . . . . 5.7999999999999998 110.974 178.252 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' A' ' 330' ' ' LEU . 4.0 mm? -73.06 -29.35 62.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.702 0.287 . . . . 7.5999999999999996 110.539 177.447 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 70.24 -71.59 0.12 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.486 -0.779 . . . . 8.1400000000000006 112.039 178.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 8.8 t 56.87 52.01 9.97 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 108.715 -0.846 . . . . 6.5899999999999999 108.715 -170.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 44.7 t -95.58 131.08 42.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.969 -1.014 . . . . 5.5999999999999996 111.817 -172.03 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 7.4 m-90 -111.11 148.99 31.5 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.613 -0.884 . . . . 5.9000000000000004 108.613 166.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 335' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -143.04 -45.51 0.3 Allowed 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.152 0.501 . . . . 6.9400000000000004 110.257 -174.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 53.7 ttm -142.92 -25.66 0.61 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.539 -0.755 . . . . 8.7300000000000004 109.558 178.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 33.5 ttm -78.34 -5.45 52.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.71 -0.677 . . . . 7.2400000000000002 109.373 175.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -68.51 77.64 0.26 Allowed Glycine 0 N--CA 1.449 -0.451 0 CA-C-N 115.581 -0.736 . . . . 3.3599999999999999 112.567 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 339' ' ' MET . . . . . 0.499 ' O ' ' HG3' ' A' ' 343' ' ' GLN . 64.0 mtt -59.61 -28.38 67.14 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 122.542 0.337 . . . . 6.75 111.493 178.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 340' ' ' LEU . . . . . 0.546 ' H ' HD22 ' A' ' 340' ' ' LEU . 2.9 mm? -57.44 -28.0 62.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 6.5599999999999996 111.086 -176.756 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -72.98 -15.98 61.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.426 -0.352 . . . . 4.4699999999999998 111.461 -179.233 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 8.6 t -106.52 -17.54 14.23 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.941 0.4 . . . . 4.2699999999999996 110.417 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 343' ' ' GLN . . . . . 0.499 ' HG3' ' O ' ' A' ' 339' ' ' MET . 26.2 mt-30 -76.91 -16.99 59.22 Favored 'General case' 0 N--CA 1.462 0.129 0 CA-C-N 116.222 -0.445 . . . . 5.9500000000000002 110.702 -179.185 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -76.02 -12.69 60.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.927 -0.579 . . . . 7.71 110.709 177.089 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -94.58 78.44 3.8 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.514 -0.55 . . . . 6.7999999999999998 109.514 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -80.77 83.0 6.62 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.151 -0.477 . . . . 6.54 110.723 -179.204 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 48.5 m -122.87 20.39 10.06 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.929 -0.578 . . . . 5.0899999999999999 110.286 178.249 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 69.74 65.66 2.49 Favored Glycine 0 CA--C 1.52 0.346 0 CA-C-N 115.702 -0.681 . . . . 5.0099999999999998 112.769 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 349' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -63.51 -25.09 70.2 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.381 2.054 . . . . 7.2000000000000002 112.581 -177.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 20.0 m -111.59 30.75 6.69 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.263 0.554 . . . . 8.3499999999999996 110.394 178.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 351' ' ' GLY . . . . . . . . . . . . . . . -75.71 125.56 8.02 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.835 -0.697 . . . . 7.5199999999999996 112.084 178.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 352' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -85.82 69.35 10.57 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.893 0.378 . . . . 8.8200000000000003 110.262 -178.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 353' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -75.85 70.6 2.62 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.884 -0.598 . . . . 9.8900000000000006 110.971 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -90.13 54.99 2.95 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.674 -0.694 . . . . 11.44 109.786 177.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 355' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -68.92 157.62 36.27 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.717 -0.674 . . . . 13.09 110.489 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -84.76 89.92 7.62 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.702 -0.681 . . . . 14.949999999999999 110.324 -179.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 96.1 -134.15 11.74 Favored Glycine 0 N--CA 1.443 -0.863 0 C-N-CA 120.773 -0.727 . . . . 15.83 111.765 -178.221 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 358' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -153.57 8.57 0.39 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.674 0.273 . . . . 18.579999999999998 111.02 -178.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 359' ' ' MET . . . . . . . . . . . . . 64.5 mtt -82.58 84.07 7.38 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.249 0.547 . . . . 18.539999999999999 110.176 -178.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 360' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 . . . . . 0 C--O 1.245 0.857 0 CA-C-O 118.44 -0.791 . . . . 18.559999999999999 109.902 179.586 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 311' ' ' MET . . . . . . . . . . . . . 23.1 ptp . . . . . 0 N--CA 1.481 1.119 0 CA-C-O 120.736 0.303 . . . . 20.120000000000001 110.414 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 312' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -134.42 105.39 6.55 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.615 0.721 . . . . 17.699999999999999 111.101 176.262 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 313' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -120.54 -33.21 3.89 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.509 -0.769 . . . . 18.68 110.104 177.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 314' ' ' GLY . . . . . . . . . . . . . . . -89.27 35.66 3.66 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.997 -0.621 . . . . 15.16 111.969 178.212 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -84.28 73.27 10.47 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.947 0.403 . . . . 14.1 110.281 -179.316 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 316' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -66.68 98.94 0.56 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.776 -0.647 . . . . 14.449999999999999 110.722 -178.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 17.9 m -83.16 46.61 1.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.026 0.441 . . . . 11.83 111.079 -177.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 318' ' ' ILE . . . . . . . . . . . . . 41.8 mm -75.96 -33.34 24.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 109.171 -0.677 . . . . 10.58 109.171 177.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -106.41 140.82 21.68 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.351 -0.84 . . . . 7.9000000000000004 109.013 173.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 320' ' ' PRO . . . . . 0.515 ' HB2' ' HG3' ' A' ' 323' ' ' MET . 37.6 Cg_exo -59.66 136.38 70.42 Favored 'Trans proline' 0 C--O 1.233 0.248 0 C-N-CA 122.227 1.951 . . . . 5.6500000000000004 111.608 175.064 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -77.63 -30.22 52.12 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.918 -0.583 . . . . 5.6799999999999997 112.209 -172.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 65.7 mtt -69.33 -24.14 63.87 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.568 -0.287 . . . . 7.8099999999999996 111.353 -175.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 323' ' ' MET . . . . . 0.515 ' HG3' ' HB2' ' A' ' 320' ' ' PRO . 37.8 mtm -66.08 -45.42 81.33 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.798 -0.361 . . . . 6.3899999999999997 110.147 179.553 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -68.36 -38.96 81.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.07 -0.514 . . . . 4.21 110.547 178.552 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -66.14 -39.7 90.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.697 -0.683 . . . . 4.4699999999999998 111.358 -178.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -67.79 -19.23 65.07 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.817 0.341 . . . . 4.7400000000000002 111.73 -178.097 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -90.38 -33.28 16.11 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.096 0.474 . . . . 6.5700000000000003 109.77 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 328' ' ' ALA . . . . . 0.582 ' HA ' ' O ' ' A' ' 332' ' ' SER . . . -81.42 -33.46 32.15 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.792 -0.64 . . . . 4.2400000000000002 110.591 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -73.68 -36.17 65.28 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.053 -0.522 . . . . 5.7999999999999998 112.142 -176.382 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 66.1 tp -73.14 -37.14 66.72 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.176 0.436 . . . . 7.5999999999999996 112.176 -173.06 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -163.63 -62.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.869 -0.332 . . . . 8.1400000000000006 111.505 -174.208 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 332' ' ' SER . . . . . 0.582 ' O ' ' HA ' ' A' ' 328' ' ' ALA . 24.3 m -77.48 71.65 3.97 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.13 -0.487 . . . . 6.5899999999999999 111.588 -175.076 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 19.3 m -76.61 128.29 34.43 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 110.252 -0.277 . . . . 5.5999999999999996 110.252 177.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 334' ' ' TRP . . . . . 0.643 ' HA ' ' HA2' ' A' ' 338' ' ' GLY . 58.6 p-90 -115.33 151.27 34.91 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.532 -0.304 . . . . 5.9000000000000004 110.74 174.053 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 335' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -127.15 -35.5 2.23 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.055 -0.72 . . . . 6.9400000000000004 109.055 174.059 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 44.1 ttm -133.23 -83.82 0.46 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.097 -0.956 . . . . 8.7300000000000004 109.395 174.269 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 22.8 mmt -92.35 -8.57 44.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.912 0.387 . . . . 7.2400000000000002 111.088 177.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 338' ' ' GLY . . . . . 0.643 ' HA2' ' HA ' ' A' ' 334' ' ' TRP . . . 91.44 -50.0 2.95 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.586 -0.816 . . . . 3.3599999999999999 112.967 177.219 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 339' ' ' MET . . . . . 0.548 ' O ' ' HG2' ' A' ' 343' ' ' GLN . 63.0 mtm -59.42 -36.19 75.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.764 0.316 . . . . 6.75 111.01 -175.801 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 340' ' ' LEU . . . . . 0.569 ' H ' HD22 ' A' ' 340' ' ' LEU . 2.4 mm? -66.56 -20.93 66.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.443 -0.344 . . . . 6.5599999999999996 111.46 -176.447 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -89.02 -12.67 40.71 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.13 0.49 . . . . 4.4699999999999998 110.402 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 30.4 t -107.22 -35.63 6.77 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.829 -0.623 . . . . 4.2699999999999996 111.388 -177.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 343' ' ' GLN . . . . . 0.548 ' HG2' ' O ' ' A' ' 339' ' ' MET . 14.0 pt20 -93.82 -2.74 53.12 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.809 0.338 . . . . 5.9500000000000002 111.246 -176.455 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 344' ' ' GLN . . . . . 0.479 ' HB2' ' O ' ' A' ' 340' ' ' LEU . 49.7 tt0 -75.12 -32.36 61.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.214 0.531 . . . . 7.71 110.103 177.364 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -106.98 172.04 7.04 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.578 -0.737 . . . . 6.7999999999999998 109.491 178.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -122.6 -25.93 4.63 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.883 0.373 . . . . 6.54 110.876 -176.086 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 7.9 t -137.92 35.6 2.38 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.193 0.521 . . . . 5.0899999999999999 110.305 -179.212 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 93.78 179.32 39.04 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.452 -0.88 . . . . 5.0099999999999998 112.27 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 349' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -68.74 -18.44 42.08 Favored 'Trans proline' 0 CA--C 1.532 0.391 0 C-N-CA 122.698 2.266 . . . . 7.2000000000000002 112.834 -178.495 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 70.8 m -150.15 96.03 2.36 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.967 0.413 . . . . 8.3499999999999996 110.63 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 351' ' ' GLY . . . . . . . . . . . . . . . -127.95 72.21 0.47 Allowed Glycine 0 N--CA 1.45 -0.395 0 N-CA-C 111.339 -0.704 . . . . 7.5199999999999996 111.339 177.161 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 352' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -91.82 110.87 22.22 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.391 0.615 . . . . 8.8200000000000003 111.736 -174.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 353' ' ' ASN . . . . . . . . . . . . . 16.2 p30 -129.56 153.57 47.91 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.256 -0.883 . . . . 9.8900000000000006 109.137 174.126 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -132.08 104.99 7.1 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.107 0.48 . . . . 11.44 111.237 -177.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 355' ' ' ASN . . . . . . . . . . . . . 30.0 p-10 -95.89 16.96 16.28 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.661 -0.7 . . . . 13.09 110.303 179.575 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -95.96 86.42 4.32 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.419 0.628 . . . . 14.949999999999999 109.879 -179.11 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -175.89 145.29 7.55 Favored Glycine 0 N--CA 1.445 -0.761 0 N-CA-C 111.157 -0.777 . . . . 15.83 111.157 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 358' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -80.16 59.29 3.27 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.593 0.711 . . . . 18.579999999999998 111.527 -177.001 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 359' ' ' MET . . . . . . . . . . . . . 95.1 mmm -100.51 3.0 42.53 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.23 -0.896 . . . . 18.539999999999999 108.941 171.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 360' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 . . . . . 0 C--O 1.246 0.918 0 CA-C-N 114.394 -1.275 . . . . 18.559999999999999 110.363 -176.3 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 311' ' ' MET . . . . . . . . . . . . . 63.9 mtt . . . . . 0 N--CA 1.48 1.027 0 CA-C-O 120.775 0.321 . . . . 20.120000000000001 110.561 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 312' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 -115.43 149.48 37.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.969 0.414 . . . . 17.699999999999999 110.861 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 313' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -112.8 -22.44 10.68 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.826 -0.625 . . . . 18.68 109.708 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 314' ' ' GLY . . . . . . . . . . . . . . . 172.9 166.22 31.06 Favored Glycine 0 N--CA 1.446 -0.678 0 CA-C-N 115.573 -0.739 . . . . 15.16 111.759 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . 67.13 6.26 4.66 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.3 0.64 . . . . 14.1 112.628 177.331 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 316' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 60.77 -174.98 0.12 Allowed 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 122.926 0.49 . . . . 14.449999999999999 111.574 179.24 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 3.4 t -109.11 39.55 2.02 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.304 0.573 . . . . 11.83 109.81 -179.368 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 318' ' ' ILE . . . . . . . . . . . . . 63.9 mt -118.26 106.18 19.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.737 -0.665 . . . . 10.58 109.983 -179.487 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -118.14 152.14 50.09 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 116.128 -0.487 . . . . 7.9000000000000004 110.371 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -57.57 138.23 85.13 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 123.101 2.534 . . . . 5.6500000000000004 112.677 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -65.69 -25.32 67.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.314 -0.857 . . . . 5.6799999999999997 111.862 -174.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 24.5 ttt -59.39 -33.57 71.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.607 0.242 . . . . 7.8099999999999996 110.905 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 323' ' ' MET . . . . . 0.419 ' HA ' ' CE ' ' A' ' 323' ' ' MET . 9.2 mmt -69.51 -45.27 69.28 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.09 0.471 . . . . 6.3899999999999997 110.323 -178.071 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -70.22 -39.25 75.22 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.872 -0.604 . . . . 4.21 110.903 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -66.53 -27.94 68.16 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.225 -0.443 . . . . 4.4699999999999998 111.225 -178.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -72.44 -34.28 67.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.398 -0.365 . . . . 4.7400000000000002 111.655 -178.264 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -88.02 -28.75 21.2 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.192 0.52 . . . . 6.5700000000000003 109.844 -178.53 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -74.84 -14.88 60.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.444 -0.798 . . . . 4.2400000000000002 109.832 178.051 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -66.45 -37.09 84.38 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.917 -0.583 . . . . 5.7999999999999998 110.815 178.027 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 91.1 mt -75.36 -38.11 60.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.941 -0.572 . . . . 7.5999999999999996 111.049 179.319 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -137.82 76.38 1.58 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.124 -0.489 . . . . 8.1400000000000006 110.824 -175.069 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 10.7 t -75.56 -22.93 56.59 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.133 -0.691 . . . . 6.5899999999999999 109.133 175.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 33.5 m -91.4 131.73 36.68 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.494 -0.776 . . . . 5.5999999999999996 109.206 174.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 80.5 m95 -104.52 152.58 22.21 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.917 0.389 . . . . 5.9000000000000004 110.244 -177.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 335' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -149.48 -35.27 0.18 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.957 -0.565 . . . . 6.9400000000000004 110.796 -178.325 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 65.0 mtt -111.78 -33.43 6.32 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.343 0.592 . . . . 8.7300000000000004 109.714 -177.187 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 87.2 mtp -85.96 -5.29 59.25 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.521 -0.763 . . . . 7.2400000000000002 109.656 174.132 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -77.58 39.66 1.74 Allowed Glycine 0 CA--C 1.521 0.463 0 CA-C-N 115.763 -0.653 . . . . 3.3599999999999999 112.417 177.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 95.3 mmm -77.64 -27.34 50.99 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.991 0.424 . . . . 6.75 110.966 -177.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 340' ' ' LEU . . . . . 0.495 ' O ' ' HG3' ' A' ' 344' ' ' GLN . 7.4 mp -57.68 -25.99 61.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.74 -0.664 . . . . 6.5599999999999996 112.447 -172.55 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -71.32 -24.54 62.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.2 0.524 . . . . 4.4699999999999998 110.381 -178.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 342' ' ' SER . . . . . 0.441 ' O ' ' HA ' ' A' ' 346' ' ' GLN . 24.4 m -94.82 -6.43 42.87 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.938 -0.574 . . . . 4.2699999999999996 110.033 176.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -95.79 -22.0 17.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 5.9500000000000002 110.876 178.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 344' ' ' GLN . . . . . 0.495 ' HG3' ' O ' ' A' ' 340' ' ' LEU . 53.3 mt-30 -68.0 -34.54 76.71 Favored 'General case' 0 CA--C 1.522 -0.123 0 CA-C-O 121.54 0.686 . . . . 7.71 109.199 174.771 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -143.72 100.12 3.53 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.034 -1.099 . . . . 6.7999999999999998 108.034 174.493 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 346' ' ' GLN . . . . . 0.441 ' HA ' ' O ' ' A' ' 342' ' ' SER . 28.9 tt0 -70.47 86.62 0.63 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.727 -0.67 . . . . 6.54 111.719 -172.539 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 8.7 p -82.79 61.14 5.7 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.725 -0.671 . . . . 5.0899999999999999 109.692 174.279 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . -96.1 -153.22 29.7 Favored Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.733 -0.667 . . . . 5.0099999999999998 112.567 -176.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 349' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo -73.33 -25.03 15.96 Favored 'Trans proline' 0 N--CA 1.46 -0.458 0 C-N-CA 122.786 2.324 . . . . 7.2000000000000002 112.619 -177.602 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 49.4 m -125.17 120.28 30.89 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.403 -0.362 . . . . 8.3499999999999996 110.653 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 351' ' ' GLY . . . . . . . . . . . . . . . -128.19 117.82 2.66 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 111.673 -0.571 . . . . 7.5199999999999996 111.673 179.445 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 352' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -70.88 128.34 35.68 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.956 0.407 . . . . 8.8200000000000003 110.086 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 353' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -72.46 -27.05 62.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.644 -0.707 . . . . 9.8900000000000006 110.48 -174.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 28.8 pt20 -147.97 135.01 20.28 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.839 -0.619 . . . . 11.44 109.365 172.279 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 355' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 -109.86 90.04 3.19 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.964 -0.562 . . . . 13.09 109.785 -177.03 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 58.3 90.03 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 O-C-N 123.745 0.653 . . . . 14.949999999999999 110.09 -175.487 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -132.96 -125.31 2.61 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.383 -0.913 . . . . 15.83 112.115 -178.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 358' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -131.19 161.34 32.4 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.601 -0.518 . . . . 18.579999999999998 109.601 -179.33 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 359' ' ' MET . . . . . . . . . . . . . 64.8 mtt -114.94 121.56 43.56 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.238 -0.437 . . . . 18.539999999999999 110.52 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 360' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 . . . . . 0 C--O 1.247 0.945 0 CA-C-O 118.853 -0.594 . . . . 18.559999999999999 110.595 -178.931 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 311' ' ' MET . . . . . . . . . . . . . 92.5 mtp . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.571 0.224 . . . . 20.120000000000001 111.191 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 312' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -118.02 116.05 26.12 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.886 -0.326 . . . . 17.699999999999999 111.632 -173.475 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 313' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 55.47 44.97 26.09 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.526 -0.761 . . . . 18.68 112.507 169.641 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 314' ' ' GLY . . . . . . . . . . . . . . . -92.95 177.35 38.35 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.916 -0.659 . . . . 15.16 111.667 177.389 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . 58.88 63.58 1.61 Allowed 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.232 0.539 . . . . 14.1 111.53 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 316' ' ' PHE . . . . . 0.445 ' CE2' ' HB ' ' A' ' 318' ' ' ILE . 39.3 t80 -141.38 -53.56 0.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.866 -0.606 . . . . 14.449999999999999 109.696 178.312 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 19.6 m 54.45 63.52 2.13 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.727 -0.669 . . . . 11.83 112.196 174.249 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 318' ' ' ILE . . . . . 0.445 ' HB ' ' CE2' ' A' ' 316' ' ' PHE . 6.2 tp -88.69 112.77 24.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.166 0.508 . . . . 10.58 110.216 176.465 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -89.22 141.15 28.96 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 116.13 -0.486 . . . . 7.9000000000000004 109.914 -178.455 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 320' ' ' PRO . . . . . 0.538 ' O ' ' HG2' ' A' ' 323' ' ' MET . 61.6 Cg_endo -74.27 137.36 23.37 Favored 'Trans proline' 0 N--CA 1.463 -0.318 0 C-N-CA 122.523 2.149 . . . . 5.6500000000000004 112.093 -179.184 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -78.21 -22.2 48.89 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.267 0.556 . . . . 5.6799999999999997 110.178 177.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 52.5 ttm -61.79 -27.36 68.7 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.45 -0.795 . . . . 7.8099999999999996 111.389 -177.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 323' ' ' MET . . . . . 0.538 ' HG2' ' O ' ' A' ' 320' ' ' PRO . 27.3 ptt? -63.16 -27.75 69.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.512 -0.313 . . . . 6.3899999999999997 110.594 -178.745 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -65.38 -34.27 77.92 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.958 0.409 . . . . 4.21 110.756 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -69.74 -37.98 76.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 4.4699999999999998 110.324 178.419 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -74.16 -19.46 60.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.97 -0.559 . . . . 4.7400000000000002 110.938 178.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -77.54 -35.17 53.55 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.971 -0.558 . . . . 6.5700000000000003 110.345 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -80.74 -21.69 40.91 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.494 0.664 . . . . 4.2400000000000002 110.063 176.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -65.01 -23.65 67.27 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.206 -0.906 . . . . 5.7999999999999998 111.525 -179.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 86.3 mt -63.72 -25.84 68.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.923 -0.581 . . . . 7.5999999999999996 111.413 -178.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -69.32 137.38 52.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.407 -0.36 . . . . 8.1400000000000006 110.311 -178.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 20.9 t -73.75 -17.94 61.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.295 -0.411 . . . . 6.5899999999999999 111.012 -175.417 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 21.1 m -91.95 131.97 36.87 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.006 -0.738 . . . . 5.5999999999999996 109.006 173.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 43.0 p-90 -104.69 151.55 23.57 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.385 0.612 . . . . 5.9000000000000004 111.558 -173.11 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 335' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -128.48 -44.37 1.38 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.33 -0.85 . . . . 6.9400000000000004 109.981 175.657 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 27.7 ttt -146.19 -45.33 0.2 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 8.7300000000000004 111.488 178.213 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 3.1 mpp? -84.58 -11.98 54.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.804 0.335 . . . . 7.2400000000000002 111.595 -175.349 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -85.78 35.65 3.21 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.512 -0.851 . . . . 3.3599999999999999 112.858 -177.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 97.5 mmm -66.15 -29.44 69.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.087 0.47 . . . . 6.75 110.183 -179.539 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 340' ' ' LEU . . . . . 0.552 ' HA ' ' HG2' ' A' ' 343' ' ' GLN . 86.6 mt -58.54 -31.21 67.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.276 -0.874 . . . . 6.5599999999999996 111.195 -179.115 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -72.75 -24.91 61.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.9 0.381 . . . . 4.4699999999999998 110.904 -177.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 40.8 m -93.36 -39.29 11.02 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.362 -0.381 . . . . 4.2699999999999996 111.068 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 343' ' ' GLN . . . . . 0.552 ' HG2' ' HA ' ' A' ' 340' ' ' LEU . 20.5 pt20 -76.64 -17.64 59.05 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.555 -0.293 . . . . 5.9500000000000002 111.583 -174.72 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -80.74 -12.94 59.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.51 -0.314 . . . . 7.71 110.93 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -98.01 52.57 1.06 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.941 0.401 . . . . 6.7999999999999998 110.955 -174.091 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 176.04 146.79 0.09 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.531 -0.759 . . . . 6.54 110.277 173.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 11.6 p -127.53 117.15 21.52 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.958 -0.565 . . . . 5.0899999999999999 110.25 179.191 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . -111.88 -117.09 3.58 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.54 -0.838 . . . . 5.0099999999999998 112.482 -177.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 349' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -64.37 -23.87 64.96 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.956 2.437 . . . . 7.2000000000000002 112.61 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 1.4 p -83.09 81.8 8.52 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.95 -0.568 . . . . 8.3499999999999996 110.613 177.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 351' ' ' GLY . . . . . . . . . . . . . . . 168.02 -60.94 0.21 Allowed Glycine 0 N--CA 1.446 -0.637 0 CA-C-N 115.744 -0.662 . . . . 7.5199999999999996 111.759 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 352' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -159.18 163.89 35.62 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.506 -0.553 . . . . 8.8200000000000003 109.506 178.039 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 353' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -106.76 32.06 4.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.759 -0.2 . . . . 9.8900000000000006 110.893 -177.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 25.5 mp0 68.51 -46.6 0.54 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.901 0.88 . . . . 11.44 112.984 175.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 355' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -72.52 -10.89 60.35 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 122.271 -0.268 . . . . 13.09 110.902 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 48.6 tp60 70.25 -82.36 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 123.397 0.679 . . . . 14.949999999999999 111.574 177.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 151.31 103.31 0.25 Allowed Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.736 -0.745 . . . . 15.83 112.194 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 358' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -83.31 59.66 5.15 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.439 0.638 . . . . 18.579999999999998 110.621 -176.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 359' ' ' MET . . . . . . . . . . . . . 71.9 mtm -126.52 -0.66 6.86 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.416 0.627 . . . . 18.539999999999999 109.848 175.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 360' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 . . . . . 0 C--O 1.247 0.958 0 CA-C-N 115.438 -0.801 . . . . 18.559999999999999 109.461 -177.706 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 311' ' ' MET . . . . . 0.46 ' HB3' ' HA2' ' A' ' 314' ' ' GLY . 66.3 mtt . . . . . 0 N--CA 1.48 1.045 0 CA-C-O 121.051 0.453 . . . . 20.120000000000001 109.831 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 312' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -64.19 -58.35 6.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.771 -0.65 . . . . 17.699999999999999 110.817 -173.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 313' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -106.56 16.58 24.42 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.429 -0.582 . . . . 18.68 109.429 176.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 314' ' ' GLY . . . . . 0.46 ' HA2' ' HB3' ' A' ' 311' ' ' MET . . . 89.61 -115.16 4.47 Favored Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 110.719 -0.952 . . . . 15.16 110.719 -172.648 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -164.87 -170.5 1.98 Allowed 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.934 -0.395 . . . . 14.1 109.934 178.008 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 316' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 65.77 70.4 0.44 Allowed 'General case' 0 C--N 1.328 -0.368 0 O-C-N 123.628 0.58 . . . . 14.449999999999999 112.462 173.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 67.7 m -95.35 78.94 3.45 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.227 -1.027 . . . . 11.83 108.227 167.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 318' ' ' ILE . . . . . . . . . . . . . 18.3 tt -75.54 138.95 19.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.588 -0.733 . . . . 10.58 111.244 -170.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -86.1 139.73 34.62 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.775 -0.648 . . . . 7.9000000000000004 109.377 179.049 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_endo -60.39 138.88 83.57 Favored 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 122.421 2.081 . . . . 5.6500000000000004 110.954 175.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -64.1 -32.71 74.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.709 -0.678 . . . . 5.6799999999999997 111.581 -171.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 56.3 ttp -67.39 -33.08 74.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.199 0.523 . . . . 7.8099999999999996 109.989 177.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 15.1 tpt -77.41 -39.56 46.62 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.128 -0.487 . . . . 6.3899999999999997 110.484 178.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -64.85 -39.94 94.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.976 -0.556 . . . . 4.21 110.791 178.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -65.99 -31.68 72.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 4.4699999999999998 110.66 176.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -74.97 -21.75 58.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.875 -0.602 . . . . 4.7400000000000002 110.94 178.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -82.53 -35.13 27.56 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.39 -0.596 . . . . 6.5700000000000003 109.39 176.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -71.33 -16.02 62.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.957 -0.565 . . . . 4.2400000000000002 110.217 174.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -67.38 -24.14 65.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.566 -0.743 . . . . 5.7999999999999998 111.028 177.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 82.5 mt -63.62 -27.6 69.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.941 -0.572 . . . . 7.5999999999999996 111.118 -179.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 331' ' ' GLN . . . . . 0.503 ' HA ' ' OE1' ' A' ' 331' ' ' GLN . 13.5 mm-40 -81.91 81.24 7.97 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.053 0.454 . . . . 8.1400000000000006 110.497 178.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 29.3 t -73.45 -28.97 62.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.867 -0.606 . . . . 6.5899999999999999 110.625 178.325 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 32.8 m -93.79 134.87 35.68 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 116.078 -0.51 . . . . 5.5999999999999996 110.391 -179.128 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 334' ' ' TRP . . . . . 0.52 ' O ' ' HA3' ' A' ' 338' ' ' GLY . 77.2 m95 -107.48 152.53 24.1 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.703 -0.68 . . . . 5.9000000000000004 110.848 -176.182 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 335' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -99.26 -15.93 18.69 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.612 -0.722 . . . . 6.9400000000000004 109.489 179.161 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 55.2 mtt -93.67 -80.6 0.39 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.295 -0.866 . . . . 8.7300000000000004 110.472 -177.435 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -79.13 -4.56 50.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.109 0.48 . . . . 7.2400000000000002 110.369 177.303 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 338' ' ' GLY . . . . . 0.52 ' HA3' ' O ' ' A' ' 334' ' ' TRP . . . -71.92 9.87 4.78 Favored Glycine 0 C--N 1.332 0.317 0 CA-C-N 115.812 -0.631 . . . . 3.3599999999999999 112.643 179.289 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 339' ' ' MET . . . . . 0.526 ' O ' ' HG3' ' A' ' 343' ' ' GLN . 26.9 ttt -61.26 -28.44 69.18 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 109.629 -0.508 . . . . 6.75 109.629 176.767 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 8.0 tt -58.02 -38.47 76.26 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.684 -0.689 . . . . 6.5599999999999996 110.125 178.493 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -72.43 -25.51 61.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.896 0.379 . . . . 4.4699999999999998 110.718 -179.513 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 7.3 m -79.59 -32.53 41.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.186 0.517 . . . . 4.2699999999999996 109.854 176.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 343' ' ' GLN . . . . . 0.526 ' HG3' ' O ' ' A' ' 339' ' ' MET . 91.1 mt-30 -77.75 -17.55 57.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.547 -0.751 . . . . 5.9500000000000002 110.77 179.241 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -63.2 -33.6 75.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.986 -0.552 . . . . 7.71 110.297 -178.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 32.6 t-20 -76.75 103.43 6.71 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.099 -0.5 . . . . 6.7999999999999998 109.674 178.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -90.97 126.68 36.15 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.239 -0.652 . . . . 6.54 109.239 179.309 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 22.3 t -101.67 -60.75 1.48 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.355 -0.384 . . . . 5.0899999999999999 110.225 -178.469 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 58.6 70.17 1.07 Allowed Glycine 0 CA--C 1.518 0.269 0 C-N-CA 121.263 -0.494 . . . . 5.0099999999999998 112.68 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 349' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_exo -72.02 -4.28 14.84 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 122.939 2.426 . . . . 7.2000000000000002 112.997 -178.467 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 22.6 t 71.77 -179.71 0.22 Allowed 'General case' 0 C--O 1.234 0.289 0 O-C-N 123.674 0.609 . . . . 8.3499999999999996 109.972 -178.383 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 351' ' ' GLY . . . . . . . . . . . . . . . -160.89 51.5 0.35 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.712 -0.756 . . . . 7.5199999999999996 112.151 -178.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 352' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 61.34 87.25 0.1 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.487 0.66 . . . . 8.8200000000000003 110.687 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 353' ' ' ASN . . . . . . . . . . . . . 32.0 t-20 -76.51 121.98 23.91 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.376 -0.829 . . . . 9.8900000000000006 110.096 -175.297 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -83.02 158.77 22.37 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.728 -0.669 . . . . 11.44 111.092 -177.277 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 355' ' ' ASN . . . . . 0.429 ' HB3' ' SD ' ' A' ' 359' ' ' MET . 33.5 t30 -63.48 123.27 18.33 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.551 -0.749 . . . . 13.09 110.166 177.056 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -73.33 88.82 1.56 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.535 0.683 . . . . 14.949999999999999 110.913 -177.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -172.44 176.87 45.3 Favored Glycine 0 N--CA 1.442 -0.916 0 CA-C-N 115.111 -0.949 . . . . 15.83 110.759 178.07 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 358' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -82.67 86.09 6.91 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.97 0.414 . . . . 18.579999999999998 110.424 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 359' ' ' MET . . . . . 0.429 ' SD ' ' HB3' ' A' ' 355' ' ' ASN . 59.6 mtm -96.85 84.78 3.65 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.054 -0.521 . . . . 18.539999999999999 110.06 178.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 360' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 . . . . . 0 C--O 1.252 1.192 0 CA-C-O 118.496 -0.764 . . . . 18.559999999999999 109.818 -179.474 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 311' ' ' MET . . . . . . . . . . . . . 95.8 mmm . . . . . 0 N--CA 1.481 1.111 0 N-CA-C 109.612 -0.514 . . . . 20.120000000000001 109.612 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 312' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -77.61 71.86 4.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.354 0.597 . . . . 17.699999999999999 112.221 -171.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 313' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -102.83 27.25 7.18 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 107.737 -1.209 . . . . 18.68 107.737 167.001 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 314' ' ' GLY . . . . . . . . . . . . . . . 138.19 147.58 5.21 Favored Glycine 0 N--CA 1.443 -0.895 0 CA-C-N 113.923 -1.49 . . . . 15.16 109.975 -172.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -67.68 -62.44 1.41 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 117.234 0.517 . . . . 14.1 110.802 -178.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 316' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 57.4 32.29 21.55 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.261 0.553 . . . . 14.449999999999999 110.829 -179.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 8.6 m -69.96 -26.75 64.26 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.354 0.597 . . . . 11.83 109.669 177.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 318' ' ' ILE . . . . . . . . . . . . . 26.3 pt -134.11 148.98 29.94 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 CA-C-N 115.221 -0.899 . . . . 10.58 109.717 177.562 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 319' ' ' ASN . . . . . 0.404 ' HA ' ' HD3' ' A' ' 320' ' ' PRO . 7.7 p30 -83.68 145.86 48.45 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 109.136 -0.69 . . . . 7.9000000000000004 109.136 175.231 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 320' ' ' PRO . . . . . 0.539 ' HD2' ' SD ' ' A' ' 323' ' ' MET . 31.5 Cg_exo -59.01 136.99 77.12 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.948 2.432 . . . . 5.6500000000000004 112.591 -175.597 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -73.82 -21.96 59.96 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.88 -0.6 . . . . 5.6799999999999997 110.875 -177.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 24.6 ptt? -63.96 -23.66 67.42 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.072 -0.513 . . . . 7.8099999999999996 110.728 177.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 323' ' ' MET . . . . . 0.539 ' SD ' ' HD2' ' A' ' 320' ' ' PRO . 88.6 mtp -62.25 -44.95 95.38 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 110.082 -0.34 . . . . 6.3899999999999997 110.082 177.171 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -69.5 -39.13 77.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.084 0.468 . . . . 4.21 110.385 179.081 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -62.98 -38.5 91.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.957 -0.565 . . . . 4.4699999999999998 110.885 178.331 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -70.36 -23.36 62.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.151 -0.477 . . . . 4.7400000000000002 110.981 179.019 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -75.86 -36.17 59.67 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.29 0.567 . . . . 6.5700000000000003 109.613 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -78.82 -23.76 44.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.704 -0.68 . . . . 4.2400000000000002 109.856 175.466 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -69.12 -25.56 64.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.493 -0.776 . . . . 5.7999999999999998 111.43 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 90.4 mt -60.19 -33.81 72.74 Favored 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 109.386 -0.598 . . . . 7.5999999999999996 109.386 176.338 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 51.16 88.55 0.03 OUTLIER 'General case' 0 C--O 1.235 0.296 0 CA-C-N 114.636 -1.165 . . . . 8.1400000000000006 113.829 170.648 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 89.0 p -107.26 -2.3 20.89 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.344 -0.984 . . . . 6.5899999999999999 108.344 167.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 10.7 t -95.86 134.19 39.12 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 114.347 -1.297 . . . . 5.5999999999999996 111.249 -178.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 61.1 p-90 -101.36 151.89 21.37 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.73 -0.841 . . . . 5.9000000000000004 108.73 171.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 335' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -104.74 -26.49 12.25 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.629 -0.428 . . . . 6.9400000000000004 111.41 -173.317 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 51.3 tpp -175.51 -17.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.305 0.574 . . . . 8.7300000000000004 110.167 -178.107 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 337' ' ' MET . . . . . 0.462 ' HB2' ' HG3' ' A' ' 339' ' ' MET . 1.2 mpt? -70.84 -23.36 62.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.496 -0.775 . . . . 7.2400000000000002 110.082 -177.714 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . 51.87 48.43 51.22 Favored Glycine 0 C--N 1.334 0.466 0 C-N-CA 120.88 -0.676 . . . . 3.3599999999999999 111.849 -177.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 339' ' ' MET . . . . . 0.591 ' O ' ' HG2' ' A' ' 343' ' ' GLN . 84.2 mtp -60.38 -45.49 93.34 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 122.235 0.214 . . . . 6.75 111.104 -171.223 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 340' ' ' LEU . . . . . 0.475 ' O ' ' HB2' ' A' ' 344' ' ' GLN . 44.9 tp -67.41 -31.05 70.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.279 -0.419 . . . . 6.5599999999999996 111.014 -174.584 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -73.65 -25.75 60.43 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.931 0.396 . . . . 4.4699999999999998 110.887 178.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 40.6 m -88.81 -42.79 11.69 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.239 -0.437 . . . . 4.2699999999999996 110.95 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 343' ' ' GLN . . . . . 0.591 ' HG2' ' O ' ' A' ' 339' ' ' MET . 14.1 pt20 -79.91 -1.83 41.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.837 0.351 . . . . 5.9500000000000002 111.136 -177.444 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 344' ' ' GLN . . . . . 0.475 ' HB2' ' O ' ' A' ' 340' ' ' LEU . 51.4 tt0 -79.25 -14.82 58.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.527 0.68 . . . . 7.71 109.634 174.17 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 54.71 33.73 20.09 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 114.424 -1.262 . . . . 6.7999999999999998 111.627 177.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 88.4 mm-40 69.26 -63.89 0.36 Allowed 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.869 0.731 . . . . 6.54 111.485 -178.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 53.6 m 54.87 70.68 0.6 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.121 0.486 . . . . 5.0899999999999999 110.689 -177.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . -144.5 158.83 27.64 Favored Glycine 0 N--CA 1.442 -0.929 0 C-N-CA 120.608 -0.806 . . . . 5.0099999999999998 112.234 -178.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 349' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -75.01 -5.6 16.99 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 123.399 2.733 . . . . 7.2000000000000002 112.735 -178.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 38.1 m -133.06 58.41 1.77 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.262 0.553 . . . . 8.3499999999999996 110.827 -178.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 351' ' ' GLY . . . . . . . . . . . . . . . -99.43 19.95 51.73 Favored Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.697 -0.683 . . . . 7.5199999999999996 111.547 178.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 352' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -84.34 103.02 13.16 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.773 -0.454 . . . . 8.8200000000000003 109.773 -178.581 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 353' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -87.72 107.14 18.5 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.179 0.514 . . . . 9.8900000000000006 111.146 -177.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -113.85 -46.03 3.05 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.612 -0.722 . . . . 11.44 110.543 178.231 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 355' ' ' ASN . . . . . . . . . . . . . 29.2 p30 -134.2 -7.2 2.64 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.292 -0.413 . . . . 13.09 111.687 -178.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.46 103.0 2.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.624 0.726 . . . . 14.949999999999999 110.463 177.426 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -167.05 86.46 0.1 OUTLIER Glycine 0 N--CA 1.44 -1.057 0 N-CA-C 110.521 -1.032 . . . . 15.83 110.521 -179.136 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 358' ' ' ASN . . . . . . . . . . . . . 29.8 p-10 -71.49 58.63 0.28 Allowed 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 121.089 0.471 . . . . 18.579999999999998 112.152 -178.234 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 359' ' ' MET . . . . . . . . . . . . . 1.9 mpt? 69.0 -68.54 0.18 Allowed 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.517 -0.765 . . . . 18.539999999999999 110.987 -179.508 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 360' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.78 -0.629 . . . . 18.559999999999999 109.785 179.637 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 311' ' ' MET . . . . . . . . . . . . . 21.7 ttt . . . . . 0 N--CA 1.482 1.17 0 N-CA-C 109.402 -0.592 . . . . 20.120000000000001 109.402 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 312' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -83.94 142.91 30.19 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.107 -0.497 . . . . 17.699999999999999 111.258 -172.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 313' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -145.06 162.25 37.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.754 -0.657 . . . . 18.68 109.545 175.13 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 314' ' ' GLY . . . . . . . . . . . . . . . -157.22 131.72 3.01 Favored Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 111.368 -0.693 . . . . 15.16 111.368 179.555 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -65.3 -67.72 0.42 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.714 0.292 . . . . 14.1 110.775 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 316' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -116.04 -25.28 7.72 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.257 -0.429 . . . . 14.449999999999999 110.625 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 32.5 t -158.3 150.36 21.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.038 0.447 . . . . 11.83 110.352 179.065 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 318' ' ' ILE . . . . . . . . . . . . . 32.2 pt -101.31 11.86 7.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.867 -0.606 . . . . 10.58 110.845 178.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -90.87 139.32 26.02 Favored Pre-proline 0 C--N 1.326 -0.427 0 N-CA-C 109.353 -0.61 . . . . 7.9000000000000004 109.353 178.286 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_endo -59.12 137.75 81.14 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.884 2.389 . . . . 5.6500000000000004 112.442 -178.443 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -72.94 -21.71 60.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.856 -0.611 . . . . 5.6799999999999997 111.573 -173.548 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 44.1 mtm -59.88 -34.48 73.22 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.271 0.558 . . . . 7.8099999999999996 110.284 178.507 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 20.5 mmt -71.24 -40.86 70.77 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.605 -0.725 . . . . 6.3899999999999997 110.263 -177.507 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -65.94 -39.17 90.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.091 -0.504 . . . . 4.21 110.383 177.359 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -64.33 -39.19 93.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.044 -0.526 . . . . 4.4699999999999998 110.892 178.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -72.81 -22.79 60.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.157 0.504 . . . . 4.7400000000000002 110.875 177.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -76.63 -35.38 58.07 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.731 -0.668 . . . . 6.5700000000000003 109.546 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -79.29 -20.4 48.11 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.475 -0.784 . . . . 4.2400000000000002 110.524 175.401 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -73.19 -34.64 66.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.08 -0.509 . . . . 5.7999999999999998 111.086 178.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 43.3 tp -71.01 -23.51 62.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.57 -0.741 . . . . 7.5999999999999996 110.216 178.287 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -107.94 -155.82 0.56 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.255 -0.884 . . . . 8.1400000000000006 109.676 179.615 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 12.1 m 74.81 -53.83 0.67 Allowed 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.388 0.675 . . . . 6.5899999999999999 110.754 179.273 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 11.1 p -93.61 131.17 39.15 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.398 -0.593 . . . . 5.5999999999999996 109.398 173.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 21.5 m-90 -94.58 149.69 20.99 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.103 0.477 . . . . 5.9000000000000004 111.471 -175.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 335' ' ' ASP . . . . . . . . . . . . . 22.3 t70 169.38 -41.39 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.574 -1.194 . . . . 6.9400000000000004 108.314 -176.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 67.6 mtm -108.81 -51.53 2.87 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.708 -1.133 . . . . 8.7300000000000004 109.401 -179.478 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 24.2 mmt -71.41 -22.29 61.88 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.499 -0.773 . . . . 7.2400000000000002 109.816 176.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -80.46 -6.13 89.46 Favored Glycine 0 N--CA 1.448 -0.52 0 CA-C-N 115.251 -0.886 . . . . 3.3599999999999999 111.769 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 339' ' ' MET . . . . . 0.453 ' O ' ' HG3' ' A' ' 343' ' ' GLN . 62.6 mtt -68.27 -32.61 72.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.657 0.265 . . . . 6.75 110.349 -178.627 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.84 -28.7 69.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 6.5599999999999996 110.885 -178.475 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -74.84 -20.24 59.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 4.4699999999999998 110.586 179.013 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 6.1 m -96.36 -48.4 5.6 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.081 -0.509 . . . . 4.2699999999999996 110.775 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 343' ' ' GLN . . . . . 0.643 ' HA ' ' O ' ' A' ' 346' ' ' GLN . 0.0 OUTLIER -76.14 -2.75 32.55 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.004 -0.544 . . . . 5.9500000000000002 112.079 -171.754 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -71.28 -24.51 62.17 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.053 0.454 . . . . 7.71 110.238 174.411 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -95.21 -56.72 2.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.408 0.623 . . . . 6.7999999999999998 109.509 176.469 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 346' ' ' GLN . . . . . 0.643 ' O ' ' HA ' ' A' ' 343' ' ' GLN . 93.7 mt-30 -121.96 111.91 17.64 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.245 -0.889 . . . . 6.54 109.278 177.125 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 9.0 t -73.12 84.03 1.32 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.036 0.446 . . . . 5.0899999999999999 110.078 -178.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 105.0 -172.84 20.24 Favored Glycine 0 N--CA 1.443 -0.857 0 N-CA-C 111.718 -0.553 . . . . 5.0099999999999998 111.718 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 349' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -76.78 -5.17 15.74 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 123.549 2.833 . . . . 7.2000000000000002 112.215 179.544 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 15.9 m -80.77 57.38 2.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.042 -0.526 . . . . 8.3499999999999996 111.034 -178.31 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 351' ' ' GLY . . . . . . . . . . . . . . . -73.92 -23.22 76.87 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.859 -0.686 . . . . 7.5199999999999996 111.403 176.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 352' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -144.74 123.56 12.65 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.419 -0.586 . . . . 8.8200000000000003 109.419 176.23 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 353' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -74.42 -32.27 62.6 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.302 -0.408 . . . . 9.8900000000000006 110.973 -174.5 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -90.64 44.02 1.18 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.393 0.616 . . . . 11.44 110.427 -177.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 355' ' ' ASN . . . . . . . . . . . . . 32.2 t30 -70.31 -71.89 0.22 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.972 -0.558 . . . . 13.09 110.837 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -162.45 118.49 1.93 Allowed 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.94 -0.393 . . . . 14.949999999999999 109.94 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 89.13 -133.95 12.11 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.76 -0.733 . . . . 15.83 111.883 -178.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 358' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -137.52 161.19 37.05 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.325 -0.62 . . . . 18.579999999999998 109.325 -178.009 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 359' ' ' MET . . . . . . . . . . . . . 24.0 ptt? -75.99 61.94 1.57 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.909 0.861 . . . . 18.539999999999999 110.185 178.022 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 360' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 . . . . . 0 C--O 1.249 1.067 0 CA-C-N 114.628 -1.169 . . . . 18.559999999999999 110.387 -175.109 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 311' ' ' MET . . . . . . . . . . . . . 26.0 ttt . . . . . 0 N--CA 1.482 1.149 0 CA-C-O 120.987 0.422 . . . . 20.120000000000001 110.212 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 312' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -80.7 -74.22 0.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.291 -0.413 . . . . 17.699999999999999 110.373 179.602 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 313' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -97.13 -12.03 23.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.97 0.414 . . . . 18.68 110.518 176.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 314' ' ' GLY . . . . . . . . . . . . . . . 150.15 -125.3 1.92 Allowed Glycine 0 N--CA 1.446 -0.66 0 N-CA-C 111.295 -0.722 . . . . 15.16 111.295 -177.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -112.22 147.35 36.39 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 110.096 -0.335 . . . . 14.1 110.096 178.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 316' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -96.34 149.69 21.41 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.072 0.463 . . . . 14.449999999999999 110.877 179.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 14.0 m -77.48 80.68 3.96 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.542 -0.754 . . . . 11.83 110.661 -179.651 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 318' ' ' ILE . . . . . . . . . . . . . 11.1 tt -139.89 130.04 29.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.227 0.537 . . . . 10.58 110.879 -178.594 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -110.5 140.52 22.61 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 115.426 -0.806 . . . . 7.9000000000000004 109.559 177.47 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -66.16 136.47 44.29 Favored 'Trans proline' 0 C--N 1.343 0.261 0 C-N-CA 122.228 1.952 . . . . 5.6500000000000004 111.507 177.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -64.72 -23.75 67.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.853 -0.612 . . . . 5.6799999999999997 111.455 -172.562 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -62.1 -33.8 75.12 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.99 -0.55 . . . . 7.8099999999999996 110.915 176.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 65.8 mtt -76.4 -29.52 57.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.924 0.392 . . . . 6.3899999999999997 110.343 -179.533 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -71.52 -39.56 70.68 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.938 -0.574 . . . . 4.21 109.949 176.168 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -66.51 -39.24 88.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.97 -0.559 . . . . 4.4699999999999998 110.757 178.175 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -68.02 -25.75 65.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.136 -0.484 . . . . 4.7400000000000002 111.379 179.288 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -81.78 -34.0 30.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.237 0.541 . . . . 6.5700000000000003 109.598 179.34 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -75.45 -14.71 60.45 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.738 -0.665 . . . . 4.2400000000000002 110.647 177.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -64.2 -23.47 67.32 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.504 -0.771 . . . . 5.7999999999999998 111.095 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 85.6 mt -61.75 -23.64 66.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.812 -0.631 . . . . 7.5999999999999996 110.96 178.444 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -100.01 114.71 28.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.313 -0.403 . . . . 8.1400000000000006 110.224 178.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 13.6 m -73.68 90.79 1.84 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.003 0.43 . . . . 6.5899999999999999 110.71 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 4.3 p -88.55 142.84 27.37 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.18 -0.464 . . . . 5.5999999999999996 110.9 178.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 67.3 p-90 -94.63 152.73 18.26 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.305 -0.407 . . . . 5.9000000000000004 110.162 178.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 335' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -148.18 -12.76 0.36 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.359 -0.382 . . . . 6.9400000000000004 111.22 -178.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 39.5 tpp -156.93 -31.27 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 121.002 -0.279 . . . . 8.7300000000000004 110.731 -172.597 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 60.4 mtm -71.75 -9.04 57.69 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.617 0.246 . . . . 7.2400000000000002 111.397 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -86.68 46.53 3.59 Favored Glycine 0 C--O 1.23 -0.138 0 C-N-CA 120.345 -0.931 . . . . 3.3599999999999999 111.922 179.02 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 339' ' ' MET . . . . . 0.419 ' O ' ' HG3' ' A' ' 343' ' ' GLN . 88.7 mtp -68.05 -37.41 81.29 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.173 0.434 . . . . 6.75 112.173 -172.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -63.07 -25.27 68.29 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 111.839 0.311 . . . . 6.5599999999999996 111.839 -172.271 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -72.36 -24.13 61.23 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.875 0.369 . . . . 4.4699999999999998 110.935 177.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 15.4 m -101.91 -27.0 13.23 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.086 -0.506 . . . . 4.2699999999999996 111.11 -179.061 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 343' ' ' GLN . . . . . 0.419 ' HG3' ' O ' ' A' ' 339' ' ' MET . 39.2 mt-30 -75.7 -11.25 59.96 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 111.81 0.3 . . . . 5.9500000000000002 111.81 -174.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 25.4 pt20 -69.96 -26.87 64.32 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.414 -0.587 . . . . 7.71 109.414 172.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -89.76 -13.15 37.34 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.48 -0.782 . . . . 6.7999999999999998 109.525 179.231 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -79.52 50.77 1.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.204 -0.907 . . . . 6.54 109.796 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 14.8 m -75.39 107.11 7.29 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.84 -0.618 . . . . 5.0899999999999999 110.456 -178.532 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . -118.62 163.28 13.14 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.775 -0.726 . . . . 5.0099999999999998 111.965 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 349' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -73.34 -5.28 16.87 Favored 'Trans proline' 0 C--O 1.234 0.307 0 C-N-CA 122.884 2.389 . . . . 7.2000000000000002 112.72 179.634 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 24.6 t 75.81 -52.18 0.63 Allowed 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 123.841 0.856 . . . . 8.3499999999999996 111.477 178.131 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 351' ' ' GLY . . . . . . . . . . . . . . . 157.81 99.99 0.16 Allowed Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.769 -0.729 . . . . 7.5199999999999996 112.091 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 352' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -99.01 76.01 2.08 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.247 0.546 . . . . 8.8200000000000003 109.774 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 353' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -136.24 75.22 1.53 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.762 -0.653 . . . . 9.8900000000000006 110.311 -177.487 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 64.07 172.97 0.18 Allowed 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.89 0.852 . . . . 11.44 112.657 176.424 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 355' ' ' ASN . . . . . . . . . . . . . 55.7 m-80 -131.93 105.65 7.57 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.045 -0.979 . . . . 13.09 108.882 173.08 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 49.6 tp60 -123.43 -23.8 4.74 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.987 0.422 . . . . 14.949999999999999 110.761 -175.469 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 130.74 -77.3 0.4 Allowed Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 111.041 -0.824 . . . . 15.83 111.041 -177.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 358' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -93.75 67.1 3.8 Favored 'General case' 0 C--N 1.317 -0.804 0 CA-C-O 121.39 0.614 . . . . 18.579999999999998 110.416 177.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 359' ' ' MET . . . . . . . . . . . . . 48.4 tpp -94.94 83.28 3.94 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.188 0.518 . . . . 18.539999999999999 110.304 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 360' ' ' GLN . . . . . 0.492 ' NE2' ' H ' ' A' ' 360' ' ' GLN . 0.4 OUTLIER . . . . . 0 C--O 1.252 1.226 0 CA-C-N 115.829 -0.623 . . . . 18.559999999999999 110.102 178.701 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 311' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.481 1.084 0 N-CA-C 109.623 -0.51 . . . . 20.120000000000001 109.623 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 312' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -161.29 148.86 15.14 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.411 -0.589 . . . . 17.699999999999999 109.411 179.457 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 313' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -83.36 107.46 15.89 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.781 0.324 . . . . 18.68 110.135 -177.406 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 314' ' ' GLY . . . . . . . . . . . . . . . 119.25 28.27 2.02 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 121.016 -0.611 . . . . 15.16 111.728 -176.217 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -106.71 -9.07 16.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.94 0.4 . . . . 14.1 110.842 178.188 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 316' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -116.4 23.88 11.76 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.473 0.654 . . . . 14.449999999999999 109.98 -177.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 2.0 p -112.39 119.59 38.79 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.877 -0.601 . . . . 11.83 111.594 -177.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 318' ' ' ILE . . . . . . . . . . . . . 2.5 mp 71.22 -50.2 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 123.589 0.755 . . . . 10.58 112.035 177.12 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 319' ' ' ASN . . . . . 0.425 ' HA ' ' HD3' ' A' ' 320' ' ' PRO . 50.1 m-80 -95.3 144.43 27.8 Favored Pre-proline 0 C--N 1.319 -0.719 0 CA-C-N 116.575 -0.284 . . . . 7.9000000000000004 110.273 -179.021 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 320' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 319' ' ' ASN . 16.7 Cg_exo -68.11 136.63 38.3 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.347 2.032 . . . . 5.6500000000000004 111.299 176.482 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -74.57 -30.47 61.73 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.625 -0.716 . . . . 5.6799999999999997 110.913 -176.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 45.1 ttm -63.93 -41.36 97.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.066 -0.516 . . . . 7.8099999999999996 110.802 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 323' ' ' MET . . . . . 0.469 ' O ' ' HG3' ' A' ' 327' ' ' GLN . 46.7 tpp -66.6 -44.04 83.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.271 -0.422 . . . . 6.3899999999999997 110.424 179.21 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -64.97 -38.98 92.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 4.21 110.94 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -68.53 -34.09 75.25 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.026 -0.534 . . . . 4.4699999999999998 110.881 178.357 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -68.01 -26.58 65.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.432 -0.349 . . . . 4.7400000000000002 111.046 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 327' ' ' GLN . . . . . 0.469 ' HG3' ' O ' ' A' ' 323' ' ' MET . 52.0 mt-30 -76.27 -29.12 57.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.161 0.505 . . . . 6.5700000000000003 109.826 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -85.37 -20.54 29.75 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.984 -0.553 . . . . 4.2400000000000002 109.885 174.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -73.33 -31.22 63.86 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.749 -0.659 . . . . 5.7999999999999998 111.516 -178.483 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 327' ' ' GLN . 4.3 pp -72.36 -23.49 61.14 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.295 -0.411 . . . . 7.5999999999999996 111.218 -177.026 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 29.3 pt20 -93.31 133.17 36.82 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 109.714 -0.476 . . . . 8.1400000000000006 109.714 177.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 1.8 p -98.92 168.6 10.0 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 116.094 -0.503 . . . . 6.5899999999999999 110.423 178.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 3.3 t -70.8 131.24 43.51 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 108.693 -0.855 . . . . 5.5999999999999996 108.693 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 25.0 p90 -94.9 150.58 20.03 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.363 0.601 . . . . 5.9000000000000004 112.149 -169.407 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 335' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -147.39 -23.32 0.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.247 -0.888 . . . . 6.9400000000000004 109.677 176.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 55.4 ttp -110.91 -41.84 4.14 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.555 -0.906 . . . . 8.7300000000000004 108.555 176.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 96.4 mmm -71.81 -10.97 60.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.463 -0.789 . . . . 7.2400000000000002 109.601 174.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -67.67 -5.52 38.24 Favored Glycine 0 C--N 1.333 0.365 0 CA-C-N 115.66 -0.7 . . . . 3.3599999999999999 111.937 175.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 339' ' ' MET . . . . . 0.662 ' O ' ' HG2' ' A' ' 343' ' ' GLN . 26.2 ttt -64.69 -33.97 77.21 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.626 -0.509 . . . . 6.75 109.626 178.369 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 50.0 tp -64.68 -29.81 70.81 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.439 -0.8 . . . . 6.5599999999999996 110.663 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -74.96 -25.02 58.56 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.047 0.451 . . . . 4.4699999999999998 110.448 178.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 45.0 m -85.62 -15.74 41.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.056 -0.52 . . . . 4.2699999999999996 110.297 177.513 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 343' ' ' GLN . . . . . 0.662 ' HG2' ' O ' ' A' ' 339' ' ' MET . 31.2 mm-40 -76.49 -3.18 35.97 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.014 -0.539 . . . . 5.9500000000000002 110.191 179.527 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 55.7 tp60 -64.25 -26.52 68.54 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 121.68 0.752 . . . . 7.71 109.029 172.358 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 345' ' ' ASN . . . . . 0.519 ' HB2' ' HA ' ' A' ' 349' ' ' PRO . 37.7 m-80 -103.29 88.38 3.11 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.944 -1.025 . . . . 6.7999999999999998 108.659 173.706 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -84.86 3.26 38.78 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.172 -0.467 . . . . 6.54 111.777 -173.222 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 38.6 m -111.66 16.97 20.35 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.554 0.692 . . . . 5.0899999999999999 109.207 172.17 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 348' ' ' GLY . . . . . 0.414 ' HA2' ' HD3' ' A' ' 349' ' ' PRO . . . 113.47 128.57 4.83 Favored Glycine 0 N--CA 1.446 -0.692 0 CA-C-N 115.239 -0.891 . . . . 5.0099999999999998 111.696 -178.455 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 349' ' ' PRO . . . . . 0.519 ' HA ' ' HB2' ' A' ' 345' ' ' ASN . 31.8 Cg_exo -59.93 -24.38 76.04 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.881 2.387 . . . . 7.2000000000000002 111.748 -177.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 48.7 m -146.54 41.08 1.12 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.256 -0.884 . . . . 8.3499999999999996 108.895 172.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 351' ' ' GLY . . . . . . . . . . . . . . . -70.22 139.5 30.94 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 115.187 -0.915 . . . . 7.5199999999999996 112.514 -177.501 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 352' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -108.2 148.07 30.45 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.725 0.298 . . . . 8.8200000000000003 110.897 -176.224 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 353' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -83.28 -10.85 58.28 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.717 -0.846 . . . . 9.8900000000000006 108.717 170.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 64.91 -149.04 0.26 Allowed 'General case' 0 C--N 1.339 0.146 0 CA-C-N 114.9 -1.045 . . . . 11.44 111.192 173.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 355' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -80.37 109.51 14.93 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.27 -0.423 . . . . 13.09 110.595 178.324 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -118.44 -165.78 1.15 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.568 -0.287 . . . . 14.949999999999999 110.263 177.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 118.67 -31.11 5.68 Favored Glycine 0 N--CA 1.446 -0.665 0 N-CA-C 109.776 -1.33 . . . . 15.83 109.776 -173.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 358' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -100.79 140.69 34.72 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.524 -0.838 . . . . 18.579999999999998 108.789 171.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 359' ' ' MET . . . . . . . . . . . . . 22.8 mmt -96.0 -0.16 50.92 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.374 -0.602 . . . . 18.539999999999999 109.374 178.183 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 360' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 117.819 -1.086 . . . . 18.559999999999999 110.59 -179.004 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 311' ' ' MET . . . . . . . . . . . . . 87.7 mmm . . . . . 0 N--CA 1.481 1.098 0 N-CA-C 109.451 -0.574 . . . . 20.120000000000001 109.451 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 312' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -107.19 84.27 1.95 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.832 -0.433 . . . . 17.699999999999999 109.832 175.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 313' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -79.83 -52.79 7.45 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.847 -0.615 . . . . 18.68 110.351 -177.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 314' ' ' GLY . . . . . . . . . . . . . . . 151.09 163.58 11.46 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.735 -0.745 . . . . 15.16 111.842 -178.593 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . 55.99 39.08 30.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.045 0.45 . . . . 14.1 111.415 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 316' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -90.37 45.66 1.28 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.874 0.845 . . . . 14.449999999999999 109.85 179.424 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 15.0 m -78.19 -14.33 59.5 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.486 -0.779 . . . . 11.83 110.191 178.675 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 318' ' ' ILE . . . . . 0.448 HD12 ' N ' ' A' ' 318' ' ' ILE . 4.3 mp -97.06 108.92 22.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.879 -0.6 . . . . 10.58 109.832 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 25.9 p-10 -84.09 150.63 58.62 Favored Pre-proline 0 C--N 1.322 -0.612 0 N-CA-C 109.524 -0.547 . . . . 7.9000000000000004 109.524 177.459 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo -64.54 135.92 47.89 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.382 2.054 . . . . 5.6500000000000004 112.197 -178.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -72.33 -18.35 61.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.605 -0.725 . . . . 5.6799999999999997 111.142 -178.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 28.4 ttt -58.08 -28.42 64.55 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.666 -0.697 . . . . 7.8099999999999996 111.428 -177.272 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 27.6 ttt -65.32 -40.29 93.54 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.924 0.392 . . . . 6.3899999999999997 110.447 177.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -73.37 -33.75 65.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 4.21 110.495 179.009 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -61.81 -39.18 90.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.867 -0.606 . . . . 4.4699999999999998 110.523 177.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -67.45 -24.94 65.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.121 -0.49 . . . . 4.7400000000000002 110.838 179.337 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -76.2 -36.07 58.78 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.568 -0.531 . . . . 6.5700000000000003 109.568 -179.402 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -74.92 -32.4 61.77 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.686 -0.688 . . . . 4.2400000000000002 109.834 174.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -64.95 -36.76 85.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.628 -0.715 . . . . 5.7999999999999998 111.342 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -70.98 -36.08 72.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 7.5999999999999996 110.952 178.102 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -83.62 55.54 3.26 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.425 0.631 . . . . 8.1400000000000006 110.284 -179.145 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 20.2 m -119.83 -20.44 7.58 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.614 -0.721 . . . . 6.5899999999999999 110.68 178.313 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 11.3 t -96.16 150.39 20.57 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.503 -0.555 . . . . 5.5999999999999996 109.503 177.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 34.4 p90 -96.65 152.32 18.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.979 0.418 . . . . 5.9000000000000004 111.469 -176.414 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 335' ' ' ASP . . . . . . . . . . . . . 20.8 t0 178.75 49.59 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 107.567 -1.271 . . . . 6.9400000000000004 107.567 -174.266 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 61.7 mtm -121.18 -45.04 2.37 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.691 -1.14 . . . . 8.7300000000000004 110.682 -175.409 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 64.1 mtt -83.25 -18.37 39.41 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.011 -0.541 . . . . 7.2400000000000002 110.841 -178.193 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . 65.02 46.36 89.32 Favored Glycine 0 N--CA 1.452 -0.281 0 CA-C-N 115.524 -0.762 . . . . 3.3599999999999999 111.928 -178.065 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 88.1 mtp -59.95 -29.37 68.36 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 122.572 0.349 . . . . 6.75 111.907 -172.309 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 89.3 mt -58.53 -26.57 63.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.242 -0.435 . . . . 6.5599999999999996 111.741 -175.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -72.33 -24.25 61.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.718 -0.219 . . . . 4.4699999999999998 111.5 -176.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 20.2 t -107.68 -22.11 12.62 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.87 -0.332 . . . . 4.2699999999999996 111.046 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -76.83 -23.33 52.75 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.913 -0.315 . . . . 5.9500000000000002 111.502 -177.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -81.64 -12.26 58.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.93 0.395 . . . . 7.71 111.157 175.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 345' ' ' ASN . . . . . 0.44 ' HA ' ' O ' ' A' ' 348' ' ' GLY . 67.3 t30 -136.45 43.43 2.47 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.661 0.743 . . . . 6.7999999999999998 109.829 -178.241 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 49.8 tp60 -85.81 -59.32 2.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.689 -0.687 . . . . 6.54 109.979 -178.065 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 15.7 p -107.85 63.87 0.62 Allowed 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.507 -0.553 . . . . 5.0899999999999999 109.507 175.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 348' ' ' GLY . . . . . 0.44 ' O ' ' HA ' ' A' ' 345' ' ' ASN . . . 77.74 -152.25 38.72 Favored Glycine 0 N--CA 1.444 -0.771 0 N-CA-C 110.835 -0.906 . . . . 5.0099999999999998 110.835 -172.813 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 349' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -77.6 -24.27 9.06 Favored 'Trans proline' 0 N--CA 1.461 -0.438 0 C-N-CA 122.19 1.927 . . . . 7.2000000000000002 111.98 176.357 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 14.9 m -100.55 105.46 16.88 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.839 -0.618 . . . . 8.3499999999999996 110.936 -177.302 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 351' ' ' GLY . . . . . . . . . . . . . . . -77.69 -12.37 84.54 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.741 -0.742 . . . . 7.5199999999999996 112.264 177.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 352' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -117.82 74.77 0.96 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.973 -0.38 . . . . 8.8200000000000003 109.973 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 353' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -79.29 91.4 5.02 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.18 0.514 . . . . 9.8900000000000006 110.756 -177.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -151.9 74.53 1.11 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.39 -0.823 . . . . 11.44 109.44 173.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 355' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -96.01 95.4 8.18 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.241 -0.89 . . . . 13.09 110.931 -174.345 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -94.1 99.8 12.02 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.185 -0.462 . . . . 14.949999999999999 110.034 179.002 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -138.97 -143.46 4.44 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.939 -0.648 . . . . 15.83 111.979 -178.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 358' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -110.29 32.87 4.82 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.817 0.341 . . . . 18.579999999999998 110.31 -177.322 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 359' ' ' MET . . . . . . . . . . . . . 15.7 tpt 61.13 40.94 14.27 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 121.964 0.888 . . . . 18.539999999999999 109.601 -175.331 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 360' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 . . . . . 0 C--O 1.247 0.934 0 CA-C-N 114.941 -1.027 . . . . 18.559999999999999 109.066 176.043 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 19.9 ptp . . . . . 0 CA--C 1.528 0.118 0 CA-C-O 120.644 0.259 . . . . 7.81 111.194 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 323' ' ' MET . . . . . 0.544 ' O ' ' HG2' ' A' ' 327' ' ' GLN . 25.0 mmt -70.3 -45.43 66.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.853 0.359 . . . . 6.39 110.174 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -70.1 -39.37 75.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.028 -0.533 . . . . 4.21 110.932 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -62.85 -36.61 83.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.066 -0.516 . . . . 4.47 110.585 178.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -68.61 -28.09 66.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.22 -0.446 . . . . 4.74 111.094 178.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 327' ' ' GLN . . . . . 0.544 ' HG2' ' O ' ' A' ' 323' ' ' MET . 30.2 mm-40 -77.68 -36.1 51.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.19 0.519 . . . . 6.57 109.657 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -73.53 -18.64 61.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.424 -0.807 . . . . 4.24 109.971 176.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.388 0 CA-C-N 115.747 -0.661 . . . . 5.8 110.974 178.252 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.451 0 N-CA-C 112.567 -0.213 . . . . 3.36 112.567 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 339' ' ' MET . . . . . 0.499 ' O ' ' HG3' ' A' ' 343' ' ' GLN . 64.0 mtt -59.61 -28.38 67.14 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 122.542 0.337 . . . . 6.75 111.493 178.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 340' ' ' LEU . . . . . 0.546 HD22 ' H ' ' A' ' 340' ' ' LEU . 2.9 mm? -57.44 -28.0 62.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 6.56 111.086 -176.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -72.98 -15.98 61.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.426 -0.352 . . . . 4.47 111.461 -179.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 8.6 t -106.52 -17.54 14.23 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.941 0.4 . . . . 4.27 110.417 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 343' ' ' GLN . . . . . 0.499 ' HG3' ' O ' ' A' ' 339' ' ' MET . 26.2 mt-30 -76.91 -16.99 59.22 Favored 'General case' 0 N--CA 1.462 0.129 0 CA-C-N 116.222 -0.445 . . . . 5.95 110.702 -179.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -76.02 -12.69 60.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.927 -0.579 . . . . 7.71 110.709 177.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 . . . . . 0 C--N 1.323 -0.55 0 N-CA-C 109.514 -0.55 . . . . 6.8 109.514 179.615 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 65.7 mtt . . . . . 0 C--O 1.227 -0.107 0 CA-C-O 120.464 0.173 . . . . 7.81 111.353 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 37.8 mtm -66.08 -45.42 81.33 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.798 -0.361 . . . . 6.39 110.147 179.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -68.36 -38.96 81.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.07 -0.514 . . . . 4.21 110.547 178.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -66.14 -39.7 90.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.697 -0.683 . . . . 4.47 111.358 -178.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -67.79 -19.23 65.07 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.817 0.341 . . . . 4.74 111.73 -178.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -90.38 -33.28 16.11 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.096 0.474 . . . . 6.57 109.77 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -81.42 -33.46 32.15 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.792 -0.64 . . . . 4.24 110.591 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.543 0 CA-C-N 116.053 -0.522 . . . . 5.8 112.142 -176.382 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 N-CA-C 112.967 -0.053 . . . . 3.36 112.967 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 339' ' ' MET . . . . . 0.548 ' O ' ' HG2' ' A' ' 343' ' ' GLN . 63.0 mtm -59.42 -36.19 75.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.764 0.316 . . . . 6.75 111.01 -175.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 340' ' ' LEU . . . . . 0.569 HD22 ' H ' ' A' ' 340' ' ' LEU . 2.4 mm? -66.56 -20.93 66.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.443 -0.344 . . . . 6.56 111.46 -176.447 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -89.02 -12.67 40.71 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.13 0.49 . . . . 4.47 110.402 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 30.4 t -107.22 -35.63 6.77 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.829 -0.623 . . . . 4.27 111.388 -177.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 343' ' ' GLN . . . . . 0.548 ' HG2' ' O ' ' A' ' 339' ' ' MET . 14.0 pt20 -93.82 -2.74 53.12 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.809 0.338 . . . . 5.95 111.246 -176.455 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 344' ' ' GLN . . . . . 0.479 ' HB2' ' O ' ' A' ' 340' ' ' LEU . 8.6 tt0 -75.12 -32.36 61.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.214 0.531 . . . . 7.71 110.103 177.364 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 9.0 p30 . . . . . 0 C--N 1.324 -0.54 0 CA-C-N 115.578 -0.737 . . . . 6.8 109.491 178.889 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 24.5 ttt . . . . . 0 CA--C 1.527 0.071 0 CA-C-O 120.607 0.242 . . . . 7.81 110.905 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 323' ' ' MET . . . . . 0.419 ' CE ' ' HA ' ' A' ' 323' ' ' MET . 9.2 mmt -69.51 -45.27 69.28 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.09 0.471 . . . . 6.39 110.323 -178.071 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -70.22 -39.25 75.22 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.872 -0.604 . . . . 4.21 110.903 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -66.53 -27.94 68.16 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.225 -0.443 . . . . 4.47 111.225 -178.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -72.44 -34.28 67.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.398 -0.365 . . . . 4.74 111.655 -178.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -88.02 -28.75 21.2 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.192 0.52 . . . . 6.57 109.844 -178.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -74.84 -14.88 60.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.444 -0.798 . . . . 4.24 109.832 178.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.379 0 CA-C-N 115.917 -0.583 . . . . 5.8 110.815 178.027 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.463 0 N-CA-C 112.417 -0.273 . . . . 3.36 112.417 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 95.3 mmm -77.64 -27.34 50.99 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.991 0.424 . . . . 6.75 110.966 -177.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 340' ' ' LEU . . . . . 0.495 ' O ' ' HG3' ' A' ' 344' ' ' GLN . 7.4 mp -57.68 -25.99 61.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.74 -0.664 . . . . 6.56 112.447 -172.55 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -71.32 -24.54 62.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.2 0.524 . . . . 4.47 110.381 -178.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 24.4 m -94.82 -6.43 42.87 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.938 -0.574 . . . . 4.27 110.033 176.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -95.79 -22.0 17.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 5.95 110.876 178.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 344' ' ' GLN . . . . . 0.495 ' HG3' ' O ' ' A' ' 340' ' ' LEU . 53.3 mt-30 -68.0 -34.54 76.71 Favored 'General case' 0 CA--C 1.522 -0.123 0 CA-C-O 121.54 0.686 . . . . 7.71 109.199 174.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 . . . . . 0 C--N 1.321 -0.671 0 N-CA-C 108.034 -1.099 . . . . 6.8 108.034 174.493 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 52.5 ttm . . . . . 0 CA--C 1.531 0.214 0 CA-C-O 120.629 0.252 . . . . 7.81 111.389 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 27.3 ptt? -63.16 -27.75 69.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.512 -0.313 . . . . 6.39 110.594 -178.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -65.38 -34.27 77.92 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.958 0.409 . . . . 4.21 110.756 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -69.74 -37.98 76.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 4.47 110.324 178.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -74.16 -19.46 60.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.97 -0.559 . . . . 4.74 110.938 178.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -77.54 -35.17 53.55 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.971 -0.558 . . . . 6.57 110.345 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -80.74 -21.69 40.91 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.494 0.664 . . . . 4.24 110.063 176.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.393 0 CA-C-N 115.206 -0.906 . . . . 5.8 111.525 -179.584 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.399 0 N-CA-C 112.858 -0.097 . . . . 3.36 112.858 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 97.5 mmm -66.15 -29.44 69.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.087 0.47 . . . . 6.75 110.183 -179.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 340' ' ' LEU . . . . . 0.552 ' HA ' ' HG2' ' A' ' 343' ' ' GLN . 86.6 mt -58.54 -31.21 67.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.276 -0.874 . . . . 6.56 111.195 -179.115 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -72.75 -24.91 61.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.9 0.381 . . . . 4.47 110.904 -177.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 40.8 m -93.36 -39.29 11.02 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.362 -0.381 . . . . 4.27 111.068 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 343' ' ' GLN . . . . . 0.552 ' HG2' ' HA ' ' A' ' 340' ' ' LEU . 20.5 pt20 -76.64 -17.64 59.05 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.555 -0.293 . . . . 5.95 111.583 -174.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -80.74 -12.94 59.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.51 -0.314 . . . . 7.71 110.93 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 . . . . . 0 C--N 1.326 -0.415 0 CA-C-O 120.941 0.401 . . . . 6.8 110.955 -174.091 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 56.3 ttp . . . . . 0 N--CA 1.458 -0.048 0 CA-C-O 121.199 0.523 . . . . 7.81 109.989 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 15.1 tpt -77.41 -39.56 46.62 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.128 -0.487 . . . . 6.39 110.484 178.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -64.85 -39.94 94.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.976 -0.556 . . . . 4.21 110.791 178.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -65.99 -31.68 72.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 4.47 110.66 176.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -74.97 -21.75 58.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.875 -0.602 . . . . 4.74 110.94 178.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -82.53 -35.13 27.56 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.39 -0.596 . . . . 6.57 109.39 176.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -71.33 -16.02 62.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.957 -0.565 . . . . 4.24 110.217 174.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 115.566 -0.743 . . . . 5.8 111.028 177.938 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.126 0 N-CA-C 112.643 -0.183 . . . . 3.36 112.643 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 339' ' ' MET . . . . . 0.526 ' O ' ' HG3' ' A' ' 343' ' ' GLN . 26.9 ttt -61.26 -28.44 69.18 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 109.629 -0.508 . . . . 6.75 109.629 176.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 8.0 tt -58.02 -38.47 76.26 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.684 -0.689 . . . . 6.56 110.125 178.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -72.43 -25.51 61.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.896 0.379 . . . . 4.47 110.718 -179.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 7.3 m -79.59 -32.53 41.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.186 0.517 . . . . 4.27 109.854 176.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 343' ' ' GLN . . . . . 0.526 ' HG3' ' O ' ' A' ' 339' ' ' MET . 25.3 mt-30 -77.75 -17.55 57.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.547 -0.751 . . . . 5.95 110.77 179.241 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -63.2 -33.6 75.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.986 -0.552 . . . . 7.71 110.297 -178.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . 0.42 HD22 ' C ' ' A' ' 345' ' ' ASN . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.524 0 CA-C-N 116.099 -0.5 . . . . 6.8 109.674 178.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 24.6 ptt? . . . . . 0 N--CA 1.456 -0.144 0 CA-C-O 120.445 0.164 . . . . 7.81 110.728 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 88.6 mtp -62.25 -44.95 95.38 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 110.082 -0.34 . . . . 6.39 110.082 177.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -69.5 -39.13 77.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.084 0.468 . . . . 4.21 110.385 179.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -62.98 -38.5 91.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.957 -0.565 . . . . 4.47 110.885 178.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -70.36 -23.36 62.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.151 -0.477 . . . . 4.74 110.981 179.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -75.86 -36.17 59.67 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.29 0.567 . . . . 6.57 109.613 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -78.82 -23.76 44.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.704 -0.68 . . . . 4.24 109.856 175.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 115.493 -0.776 . . . . 5.8 111.43 179.641 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.193 0 N-CA-C 111.849 -0.5 . . . . 3.36 111.849 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 339' ' ' MET . . . . . 0.591 ' O ' ' HG2' ' A' ' 343' ' ' GLN . 84.2 mtp -60.38 -45.49 93.34 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 122.235 0.214 . . . . 6.75 111.104 -171.223 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 340' ' ' LEU . . . . . 0.475 ' O ' ' HB2' ' A' ' 344' ' ' GLN . 44.9 tp -67.41 -31.05 70.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.279 -0.419 . . . . 6.56 111.014 -174.584 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -73.65 -25.75 60.43 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.931 0.396 . . . . 4.47 110.887 178.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 40.6 m -88.81 -42.79 11.69 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.239 -0.437 . . . . 4.27 110.95 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 343' ' ' GLN . . . . . 0.591 ' HG2' ' O ' ' A' ' 339' ' ' MET . 3.8 pt20 -79.91 -1.83 41.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.837 0.351 . . . . 5.95 111.136 -177.444 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 344' ' ' GLN . . . . . 0.475 ' HB2' ' O ' ' A' ' 340' ' ' LEU . 8.9 tt0 -79.25 -14.82 58.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.527 0.68 . . . . 7.71 109.634 174.17 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 . . . . . 0 N--CA 1.464 0.256 0 CA-C-N 114.424 -1.262 . . . . 6.8 111.627 177.891 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 44.1 mtm . . . . . 0 C--O 1.232 0.14 0 CA-C-O 121.271 0.558 . . . . 7.81 110.284 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 20.5 mmt -71.24 -40.86 70.77 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.605 -0.725 . . . . 6.39 110.263 -177.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -65.94 -39.17 90.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.091 -0.504 . . . . 4.21 110.383 177.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -64.33 -39.19 93.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.044 -0.526 . . . . 4.47 110.892 178.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -72.81 -22.79 60.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.157 0.504 . . . . 4.74 110.875 177.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -76.63 -35.38 58.07 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.731 -0.668 . . . . 6.57 109.546 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -79.29 -20.4 48.11 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.475 -0.784 . . . . 4.24 110.524 175.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.08 -0.509 . . . . 5.8 111.086 178.931 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.52 0 N-CA-C 111.769 -0.532 . . . . 3.36 111.769 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 339' ' ' MET . . . . . 0.453 ' O ' ' HG3' ' A' ' 343' ' ' GLN . 62.6 mtt -68.27 -32.61 72.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.657 0.265 . . . . 6.75 110.349 -178.627 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.84 -28.7 69.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 6.56 110.885 -178.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -74.84 -20.24 59.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 4.47 110.586 179.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 6.1 m -96.36 -48.4 5.6 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.081 -0.509 . . . . 4.27 110.775 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 343' ' ' GLN . . . . . 0.453 ' HG3' ' O ' ' A' ' 339' ' ' MET . 0.0 OUTLIER -76.14 -2.75 32.55 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.004 -0.544 . . . . 5.95 112.079 -171.754 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -71.28 -24.51 62.17 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.053 0.454 . . . . 7.71 110.238 174.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 121.408 0.623 . . . . 6.8 109.509 176.469 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 25.7 ptt? . . . . . 0 CA--C 1.529 0.156 0 CA-C-O 120.885 0.374 . . . . 7.81 110.915 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 65.8 mtt -76.4 -29.52 57.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.924 0.392 . . . . 6.39 110.343 -179.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -71.52 -39.56 70.68 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.938 -0.574 . . . . 4.21 109.949 176.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -66.51 -39.24 88.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.97 -0.559 . . . . 4.47 110.757 178.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -68.02 -25.75 65.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.136 -0.484 . . . . 4.74 111.379 179.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -81.78 -34.0 30.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.237 0.541 . . . . 6.57 109.598 179.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -75.45 -14.71 60.45 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.738 -0.665 . . . . 4.24 110.647 177.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.251 0 CA-C-N 115.504 -0.771 . . . . 5.8 111.095 179.756 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 -0.138 0 N-CA-C 111.922 -0.471 . . . . 3.36 111.922 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 339' ' ' MET . . . . . 0.419 ' O ' ' HG3' ' A' ' 343' ' ' GLN . 88.7 mtp -68.05 -37.41 81.29 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.173 0.434 . . . . 6.75 112.173 -172.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -63.07 -25.27 68.29 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 111.839 0.311 . . . . 6.56 111.839 -172.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -72.36 -24.13 61.23 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.875 0.369 . . . . 4.47 110.935 177.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 15.4 m -101.91 -27.0 13.23 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.086 -0.506 . . . . 4.27 111.11 -179.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 343' ' ' GLN . . . . . 0.419 ' HG3' ' O ' ' A' ' 339' ' ' MET . 39.2 mt-30 -75.7 -11.25 59.96 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 111.81 0.3 . . . . 5.95 111.81 -174.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 25.4 pt20 -69.96 -26.87 64.32 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.414 -0.587 . . . . 7.71 109.414 172.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 9.9 t30 . . . . . 0 C--N 1.331 -0.204 0 CA-C-N 115.48 -0.782 . . . . 6.8 109.525 179.231 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 45.1 ttm . . . . . 0 N--CA 1.456 -0.17 0 CA-C-O 120.827 0.346 . . . . 7.81 110.802 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 323' ' ' MET . . . . . 0.469 ' O ' ' HG3' ' A' ' 327' ' ' GLN . 46.7 tpp -66.6 -44.04 83.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.271 -0.422 . . . . 6.39 110.424 179.21 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -64.97 -38.98 92.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 4.21 110.94 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -68.53 -34.09 75.25 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.026 -0.534 . . . . 4.47 110.881 178.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -68.01 -26.58 65.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.432 -0.349 . . . . 4.74 111.046 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 327' ' ' GLN . . . . . 0.469 ' HG3' ' O ' ' A' ' 323' ' ' MET . 52.0 mt-30 -76.27 -29.12 57.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.161 0.505 . . . . 6.57 109.826 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -85.37 -20.54 29.75 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.984 -0.553 . . . . 4.24 109.885 174.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.433 0 CA-C-N 115.749 -0.659 . . . . 5.8 111.516 -178.483 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 111.937 -0.465 . . . . 3.36 111.937 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 339' ' ' MET . . . . . 0.662 ' O ' ' HG2' ' A' ' 343' ' ' GLN . 26.2 ttt -64.69 -33.97 77.21 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.626 -0.509 . . . . 6.75 109.626 178.369 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 50.0 tp -64.68 -29.81 70.81 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.439 -0.8 . . . . 6.56 110.663 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -74.96 -25.02 58.56 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.047 0.451 . . . . 4.47 110.448 178.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 45.0 m -85.62 -15.74 41.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.056 -0.52 . . . . 4.27 110.297 177.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 343' ' ' GLN . . . . . 0.662 ' HG2' ' O ' ' A' ' 339' ' ' MET . 31.2 mm-40 -76.49 -3.18 35.97 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.014 -0.539 . . . . 5.95 110.191 179.527 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -64.25 -26.52 68.54 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 121.68 0.752 . . . . 7.71 109.029 172.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 . . . . . 0 C--N 1.325 -0.48 0 CA-C-N 114.944 -1.025 . . . . 6.8 108.659 173.706 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 28.4 ttt . . . . . 0 CA--C 1.53 0.189 0 CA-C-O 120.552 0.215 . . . . 7.81 111.428 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 27.6 ttt -65.32 -40.29 93.54 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.924 0.392 . . . . 6.39 110.447 177.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -73.37 -33.75 65.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 4.21 110.495 179.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -61.81 -39.18 90.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.867 -0.606 . . . . 4.47 110.523 177.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -67.45 -24.94 65.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.121 -0.49 . . . . 4.74 110.838 179.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -76.2 -36.07 58.78 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.568 -0.531 . . . . 6.57 109.568 -179.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -74.92 -32.4 61.77 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.686 -0.688 . . . . 4.24 109.834 174.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 115.628 -0.715 . . . . 5.8 111.342 -179.806 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 111.928 -0.469 . . . . 3.36 111.928 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 88.1 mtp -59.95 -29.37 68.36 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 122.572 0.349 . . . . 6.75 111.907 -172.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 89.3 mt -58.53 -26.57 63.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.242 -0.435 . . . . 6.56 111.741 -175.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -72.33 -24.25 61.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.718 -0.219 . . . . 4.47 111.5 -176.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 20.2 t -107.68 -22.11 12.62 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.87 -0.332 . . . . 4.27 111.046 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -76.83 -23.33 52.75 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.913 -0.315 . . . . 5.95 111.502 -177.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -81.64 -12.26 58.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.93 0.395 . . . . 7.71 111.157 175.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 . . . . . 0 C--N 1.324 -0.534 0 CA-C-O 121.661 0.743 . . . . 6.8 109.829 -178.241 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 311' ' ' MET . . . . . . . . . . . . . 23.4 ptp . . . . . 0 N--CA 1.48 1.025 0 CA-C-O 120.769 0.319 . . . . 20.12 110.164 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 312' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -90.09 74.31 7.19 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.245 0.545 . . . . 17.7 110.751 -178.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 313' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -150.76 100.2 2.8 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.926 -0.579 . . . . 18.68 110.357 177.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 314' ' ' GLY . . . . . . . . . . . . . . . -178.91 -119.91 0.63 Allowed Glycine 0 N--CA 1.441 -0.967 0 CA-C-N 115.325 -0.852 . . . . 15.16 111.411 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 315' ' ' ALA . . . . . 0.532 ' HB1' HD22 ' A' ' 319' ' ' ASN . . . -82.59 67.37 8.61 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.991 0.424 . . . . 14.1 110.305 177.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 316' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -75.43 110.35 9.72 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.073 -0.512 . . . . 14.45 110.23 -178.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 15.2 m 69.39 -59.28 0.49 Allowed 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.392 -0.822 . . . . 11.83 111.241 -178.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 318' ' ' ILE . . . . . . . . . . . . . 66.2 mt -84.64 117.14 29.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.367 -0.378 . . . . 10.58 110.286 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 319' ' ' ASN . . . . . 0.532 HD22 ' HB1' ' A' ' 315' ' ' ALA . 13.6 m120 -93.15 146.05 31.21 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.105 -0.498 . . . . 7.9 109.962 178.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 320' ' ' PRO . . . . . 0.545 ' HB2' ' HG2' ' A' ' 322' ' ' MET . 27.6 Cg_endo -63.15 136.66 57.26 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.52 2.147 . . . . 5.65 112.349 -176.056 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -73.91 -20.88 60.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.662 -0.699 . . . . 5.68 111.364 -177.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 322' ' ' MET . . . . . 0.545 ' HG2' ' HB2' ' A' ' 320' ' ' PRO . 19.9 ptp -59.22 -31.51 69.11 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.367 -0.379 . . . . 7.81 111.194 -179.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 323' ' ' MET . . . . . 0.544 ' O ' ' HG2' ' A' ' 327' ' ' GLN . 25.0 mmt -70.3 -45.43 66.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.853 0.359 . . . . 6.39 110.174 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -70.1 -39.37 75.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.028 -0.533 . . . . 4.21 110.932 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -62.85 -36.61 83.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.066 -0.516 . . . . 4.47 110.585 178.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -68.61 -28.09 66.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.22 -0.446 . . . . 4.74 111.094 178.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 327' ' ' GLN . . . . . 0.544 ' HG2' ' O ' ' A' ' 323' ' ' MET . 30.2 mm-40 -77.68 -36.1 51.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.19 0.519 . . . . 6.57 109.657 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -73.53 -18.64 61.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.424 -0.807 . . . . 4.24 109.971 176.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -70.14 -35.75 74.28 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.747 -0.661 . . . . 5.8 110.974 178.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' A' ' 330' ' ' LEU . 4.0 mm? -73.06 -29.35 62.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.702 0.287 . . . . 7.6 110.539 177.447 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 70.24 -71.59 0.12 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.486 -0.779 . . . . 8.14 112.039 178.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 8.8 t 56.87 52.01 9.97 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 108.715 -0.846 . . . . 6.59 108.715 -170.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 44.7 t -95.58 131.08 42.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.969 -1.014 . . . . 5.6 111.817 -172.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 7.4 m-90 -111.11 148.99 31.5 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.613 -0.884 . . . . 5.9 108.613 166.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 335' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -143.04 -45.51 0.3 Allowed 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.152 0.501 . . . . 6.94 110.257 -174.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 53.7 ttm -142.92 -25.66 0.61 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.539 -0.755 . . . . 8.73 109.558 178.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 33.5 ttm -78.34 -5.45 52.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.71 -0.677 . . . . 7.24 109.373 175.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -68.51 77.64 0.26 Allowed Glycine 0 N--CA 1.449 -0.451 0 CA-C-N 115.581 -0.736 . . . . 3.36 112.567 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 339' ' ' MET . . . . . 0.499 ' O ' ' HG3' ' A' ' 343' ' ' GLN . 64.0 mtt -59.61 -28.38 67.14 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 122.542 0.337 . . . . 6.75 111.493 178.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 340' ' ' LEU . . . . . 0.546 HD22 ' H ' ' A' ' 340' ' ' LEU . 2.9 mm? -57.44 -28.0 62.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 6.56 111.086 -176.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -72.98 -15.98 61.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.426 -0.352 . . . . 4.47 111.461 -179.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 8.6 t -106.52 -17.54 14.23 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.941 0.4 . . . . 4.27 110.417 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 343' ' ' GLN . . . . . 0.499 ' HG3' ' O ' ' A' ' 339' ' ' MET . 26.2 mt-30 -76.91 -16.99 59.22 Favored 'General case' 0 N--CA 1.462 0.129 0 CA-C-N 116.222 -0.445 . . . . 5.95 110.702 -179.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -76.02 -12.69 60.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.927 -0.579 . . . . 7.71 110.709 177.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -94.58 78.44 3.8 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.514 -0.55 . . . . 6.8 109.514 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -80.77 83.0 6.62 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.151 -0.477 . . . . 6.54 110.723 -179.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 48.5 m -122.87 20.39 10.06 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.929 -0.578 . . . . 5.09 110.286 178.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 69.74 65.66 2.49 Favored Glycine 0 CA--C 1.52 0.346 0 CA-C-N 115.702 -0.681 . . . . 5.01 112.769 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 349' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -63.51 -25.09 70.2 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.381 2.054 . . . . 7.2 112.581 -177.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 20.0 m -111.59 30.75 6.69 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.263 0.554 . . . . 8.35 110.394 178.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 351' ' ' GLY . . . . . . . . . . . . . . . -75.71 125.56 8.02 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.835 -0.697 . . . . 7.52 112.084 178.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 352' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -85.82 69.35 10.57 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.893 0.378 . . . . 8.82 110.262 -178.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 353' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -75.85 70.6 2.62 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.884 -0.598 . . . . 9.89 110.971 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -90.13 54.99 2.95 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.674 -0.694 . . . . 11.44 109.786 177.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 355' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -68.92 157.62 36.27 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.717 -0.674 . . . . 13.09 110.489 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -84.76 89.92 7.62 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.702 -0.681 . . . . 14.95 110.324 -179.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 96.1 -134.15 11.74 Favored Glycine 0 N--CA 1.443 -0.863 0 C-N-CA 120.773 -0.727 . . . . 15.83 111.765 -178.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 358' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -153.57 8.57 0.39 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.674 0.273 . . . . 18.58 111.02 -178.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 359' ' ' MET . . . . . . . . . . . . . 64.5 mtt -82.58 84.07 7.38 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.249 0.547 . . . . 18.54 110.176 -178.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 360' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 . . . . . 0 C--O 1.245 0.857 0 CA-C-O 118.44 -0.791 . . . . 18.56 109.902 179.586 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 311' ' ' MET . . . . . . . . . . . . . 23.1 ptp . . . . . 0 N--CA 1.481 1.119 0 CA-C-O 120.736 0.303 . . . . 20.12 110.414 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 312' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -134.42 105.39 6.55 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.615 0.721 . . . . 17.7 111.101 176.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 313' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -120.54 -33.21 3.89 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.509 -0.769 . . . . 18.68 110.104 177.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 314' ' ' GLY . . . . . . . . . . . . . . . -89.27 35.66 3.66 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.997 -0.621 . . . . 15.16 111.969 178.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -84.28 73.27 10.47 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.947 0.403 . . . . 14.1 110.281 -179.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 316' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -66.68 98.94 0.56 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.776 -0.647 . . . . 14.45 110.722 -178.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 17.9 m -83.16 46.61 1.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.026 0.441 . . . . 11.83 111.079 -177.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 318' ' ' ILE . . . . . . . . . . . . . 41.8 mm -75.96 -33.34 24.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 109.171 -0.677 . . . . 10.58 109.171 177.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -106.41 140.82 21.68 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.351 -0.84 . . . . 7.9 109.013 173.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 320' ' ' PRO . . . . . 0.515 ' HB2' ' HG3' ' A' ' 323' ' ' MET . 37.6 Cg_exo -59.66 136.38 70.42 Favored 'Trans proline' 0 C--O 1.233 0.248 0 C-N-CA 122.227 1.951 . . . . 5.65 111.608 175.064 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -77.63 -30.22 52.12 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.918 -0.583 . . . . 5.68 112.209 -172.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 65.7 mtt -69.33 -24.14 63.87 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.568 -0.287 . . . . 7.81 111.353 -175.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 323' ' ' MET . . . . . 0.515 ' HG3' ' HB2' ' A' ' 320' ' ' PRO . 37.8 mtm -66.08 -45.42 81.33 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.798 -0.361 . . . . 6.39 110.147 179.553 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -68.36 -38.96 81.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.07 -0.514 . . . . 4.21 110.547 178.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -66.14 -39.7 90.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.697 -0.683 . . . . 4.47 111.358 -178.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -67.79 -19.23 65.07 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.817 0.341 . . . . 4.74 111.73 -178.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -90.38 -33.28 16.11 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.096 0.474 . . . . 6.57 109.77 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 328' ' ' ALA . . . . . 0.582 ' HA ' ' O ' ' A' ' 332' ' ' SER . . . -81.42 -33.46 32.15 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.792 -0.64 . . . . 4.24 110.591 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -73.68 -36.17 65.28 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.053 -0.522 . . . . 5.8 112.142 -176.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 66.1 tp -73.14 -37.14 66.72 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.176 0.436 . . . . 7.6 112.176 -173.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -163.63 -62.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.869 -0.332 . . . . 8.14 111.505 -174.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 332' ' ' SER . . . . . 0.582 ' O ' ' HA ' ' A' ' 328' ' ' ALA . 24.3 m -77.48 71.65 3.97 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.13 -0.487 . . . . 6.59 111.588 -175.076 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 19.3 m -76.61 128.29 34.43 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 110.252 -0.277 . . . . 5.6 110.252 177.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 334' ' ' TRP . . . . . 0.643 ' HA ' ' HA2' ' A' ' 338' ' ' GLY . 58.6 p-90 -115.33 151.27 34.91 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.532 -0.304 . . . . 5.9 110.74 174.053 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 335' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -127.15 -35.5 2.23 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.055 -0.72 . . . . 6.94 109.055 174.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 44.1 ttm -133.23 -83.82 0.46 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.097 -0.956 . . . . 8.73 109.395 174.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 22.8 mmt -92.35 -8.57 44.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.912 0.387 . . . . 7.24 111.088 177.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 338' ' ' GLY . . . . . 0.643 ' HA2' ' HA ' ' A' ' 334' ' ' TRP . . . 91.44 -50.0 2.95 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.586 -0.816 . . . . 3.36 112.967 177.219 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 339' ' ' MET . . . . . 0.548 ' O ' ' HG2' ' A' ' 343' ' ' GLN . 63.0 mtm -59.42 -36.19 75.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.764 0.316 . . . . 6.75 111.01 -175.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 340' ' ' LEU . . . . . 0.569 HD22 ' H ' ' A' ' 340' ' ' LEU . 2.4 mm? -66.56 -20.93 66.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.443 -0.344 . . . . 6.56 111.46 -176.447 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -89.02 -12.67 40.71 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.13 0.49 . . . . 4.47 110.402 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 30.4 t -107.22 -35.63 6.77 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.829 -0.623 . . . . 4.27 111.388 -177.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 343' ' ' GLN . . . . . 0.548 ' HG2' ' O ' ' A' ' 339' ' ' MET . 14.0 pt20 -93.82 -2.74 53.12 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.809 0.338 . . . . 5.95 111.246 -176.455 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 344' ' ' GLN . . . . . 0.479 ' HB2' ' O ' ' A' ' 340' ' ' LEU . 8.6 tt0 -75.12 -32.36 61.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.214 0.531 . . . . 7.71 110.103 177.364 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -106.98 172.04 7.04 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.578 -0.737 . . . . 6.8 109.491 178.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -122.6 -25.93 4.63 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.883 0.373 . . . . 6.54 110.876 -176.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 7.9 t -137.92 35.6 2.38 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.193 0.521 . . . . 5.09 110.305 -179.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 93.78 179.32 39.04 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.452 -0.88 . . . . 5.01 112.27 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 349' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -68.74 -18.44 42.08 Favored 'Trans proline' 0 CA--C 1.532 0.391 0 C-N-CA 122.698 2.266 . . . . 7.2 112.834 -178.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 70.8 m -150.15 96.03 2.36 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.967 0.413 . . . . 8.35 110.63 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 351' ' ' GLY . . . . . . . . . . . . . . . -127.95 72.21 0.47 Allowed Glycine 0 N--CA 1.45 -0.395 0 N-CA-C 111.339 -0.704 . . . . 7.52 111.339 177.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 352' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -91.82 110.87 22.22 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.391 0.615 . . . . 8.82 111.736 -174.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 353' ' ' ASN . . . . . . . . . . . . . 16.2 p30 -129.56 153.57 47.91 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.256 -0.883 . . . . 9.89 109.137 174.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -132.08 104.99 7.1 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.107 0.48 . . . . 11.44 111.237 -177.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 355' ' ' ASN . . . . . . . . . . . . . 30.0 p-10 -95.89 16.96 16.28 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.661 -0.7 . . . . 13.09 110.303 179.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -95.96 86.42 4.32 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.419 0.628 . . . . 14.95 109.879 -179.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -175.89 145.29 7.55 Favored Glycine 0 N--CA 1.445 -0.761 0 N-CA-C 111.157 -0.777 . . . . 15.83 111.157 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 358' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -80.16 59.29 3.27 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.593 0.711 . . . . 18.58 111.527 -177.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 359' ' ' MET . . . . . . . . . . . . . 95.1 mmm -100.51 3.0 42.53 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.23 -0.896 . . . . 18.54 108.941 171.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 360' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 . . . . . 0 C--O 1.246 0.918 0 CA-C-N 114.394 -1.275 . . . . 18.56 110.363 -176.3 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 311' ' ' MET . . . . . . . . . . . . . 63.9 mtt . . . . . 0 N--CA 1.48 1.027 0 CA-C-O 120.775 0.321 . . . . 20.12 110.561 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 312' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -115.43 149.48 37.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.969 0.414 . . . . 17.7 110.861 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 313' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -112.8 -22.44 10.68 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.826 -0.625 . . . . 18.68 109.708 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 314' ' ' GLY . . . . . . . . . . . . . . . 172.9 166.22 31.06 Favored Glycine 0 N--CA 1.446 -0.678 0 CA-C-N 115.573 -0.739 . . . . 15.16 111.759 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . 67.13 6.26 4.66 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.3 0.64 . . . . 14.1 112.628 177.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 316' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 60.77 -174.98 0.12 Allowed 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 122.926 0.49 . . . . 14.45 111.574 179.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 3.4 t -109.11 39.55 2.02 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.304 0.573 . . . . 11.83 109.81 -179.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 318' ' ' ILE . . . . . 0.466 ' C ' HD22 ' A' ' 319' ' ' ASN . 63.9 mt -118.26 106.18 19.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.737 -0.665 . . . . 10.58 109.983 -179.487 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 319' ' ' ASN . . . . . 0.466 HD22 ' C ' ' A' ' 318' ' ' ILE . 0.9 OUTLIER -118.14 152.14 50.09 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 116.128 -0.487 . . . . 7.9 110.371 -179.92 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -57.57 138.23 85.13 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 123.101 2.534 . . . . 5.65 112.677 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -65.69 -25.32 67.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.314 -0.857 . . . . 5.68 111.862 -174.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 24.5 ttt -59.39 -33.57 71.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.607 0.242 . . . . 7.81 110.905 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 323' ' ' MET . . . . . 0.419 ' CE ' ' HA ' ' A' ' 323' ' ' MET . 9.2 mmt -69.51 -45.27 69.28 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.09 0.471 . . . . 6.39 110.323 -178.071 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -70.22 -39.25 75.22 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.872 -0.604 . . . . 4.21 110.903 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -66.53 -27.94 68.16 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.225 -0.443 . . . . 4.47 111.225 -178.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -72.44 -34.28 67.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.398 -0.365 . . . . 4.74 111.655 -178.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -88.02 -28.75 21.2 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.192 0.52 . . . . 6.57 109.844 -178.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -74.84 -14.88 60.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.444 -0.798 . . . . 4.24 109.832 178.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -66.45 -37.09 84.38 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.917 -0.583 . . . . 5.8 110.815 178.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 91.1 mt -75.36 -38.11 60.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.941 -0.572 . . . . 7.6 111.049 179.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -137.82 76.38 1.58 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.124 -0.489 . . . . 8.14 110.824 -175.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 10.7 t -75.56 -22.93 56.59 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.133 -0.691 . . . . 6.59 109.133 175.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 33.5 m -91.4 131.73 36.68 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.494 -0.776 . . . . 5.6 109.206 174.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 80.5 m95 -104.52 152.58 22.21 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.917 0.389 . . . . 5.9 110.244 -177.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 335' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -149.48 -35.27 0.18 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.957 -0.565 . . . . 6.94 110.796 -178.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 65.0 mtt -111.78 -33.43 6.32 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.343 0.592 . . . . 8.73 109.714 -177.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 87.2 mtp -85.96 -5.29 59.25 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.521 -0.763 . . . . 7.24 109.656 174.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -77.58 39.66 1.74 Allowed Glycine 0 CA--C 1.521 0.463 0 CA-C-N 115.763 -0.653 . . . . 3.36 112.417 177.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 95.3 mmm -77.64 -27.34 50.99 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.991 0.424 . . . . 6.75 110.966 -177.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 340' ' ' LEU . . . . . 0.495 ' O ' ' HG3' ' A' ' 344' ' ' GLN . 7.4 mp -57.68 -25.99 61.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.74 -0.664 . . . . 6.56 112.447 -172.55 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -71.32 -24.54 62.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.2 0.524 . . . . 4.47 110.381 -178.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 342' ' ' SER . . . . . 0.441 ' O ' ' HA ' ' A' ' 346' ' ' GLN . 24.4 m -94.82 -6.43 42.87 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.938 -0.574 . . . . 4.27 110.033 176.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -95.79 -22.0 17.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 5.95 110.876 178.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 344' ' ' GLN . . . . . 0.495 ' HG3' ' O ' ' A' ' 340' ' ' LEU . 53.3 mt-30 -68.0 -34.54 76.71 Favored 'General case' 0 CA--C 1.522 -0.123 0 CA-C-O 121.54 0.686 . . . . 7.71 109.199 174.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -143.72 100.12 3.53 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.034 -1.099 . . . . 6.8 108.034 174.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 346' ' ' GLN . . . . . 0.441 ' HA ' ' O ' ' A' ' 342' ' ' SER . 28.9 tt0 -70.47 86.62 0.63 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.727 -0.67 . . . . 6.54 111.719 -172.539 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 8.7 p -82.79 61.14 5.7 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.725 -0.671 . . . . 5.09 109.692 174.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . -96.1 -153.22 29.7 Favored Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.733 -0.667 . . . . 5.01 112.567 -176.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 349' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo -73.33 -25.03 15.96 Favored 'Trans proline' 0 N--CA 1.46 -0.458 0 C-N-CA 122.786 2.324 . . . . 7.2 112.619 -177.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 49.4 m -125.17 120.28 30.89 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.403 -0.362 . . . . 8.35 110.653 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 351' ' ' GLY . . . . . . . . . . . . . . . -128.19 117.82 2.66 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 111.673 -0.571 . . . . 7.52 111.673 179.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 352' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -70.88 128.34 35.68 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.956 0.407 . . . . 8.82 110.086 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 353' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -72.46 -27.05 62.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.644 -0.707 . . . . 9.89 110.48 -174.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -147.97 135.01 20.28 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.839 -0.619 . . . . 11.44 109.365 172.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 355' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 -109.86 90.04 3.19 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.964 -0.562 . . . . 13.09 109.785 -177.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 58.3 90.03 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 O-C-N 123.745 0.653 . . . . 14.95 110.09 -175.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -132.96 -125.31 2.61 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.383 -0.913 . . . . 15.83 112.115 -178.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 358' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -131.19 161.34 32.4 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.601 -0.518 . . . . 18.58 109.601 -179.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 359' ' ' MET . . . . . . . . . . . . . 64.8 mtt -114.94 121.56 43.56 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.238 -0.437 . . . . 18.54 110.52 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 360' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 . . . . . 0 C--O 1.247 0.945 0 CA-C-O 118.853 -0.594 . . . . 18.56 110.595 -178.931 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 311' ' ' MET . . . . . . . . . . . . . 92.5 mtp . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.571 0.224 . . . . 20.12 111.191 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 312' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -118.02 116.05 26.12 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.886 -0.326 . . . . 17.7 111.632 -173.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 313' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 55.47 44.97 26.09 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.526 -0.761 . . . . 18.68 112.507 169.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 314' ' ' GLY . . . . . . . . . . . . . . . -92.95 177.35 38.35 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.916 -0.659 . . . . 15.16 111.667 177.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . 58.88 63.58 1.61 Allowed 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.232 0.539 . . . . 14.1 111.53 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 316' ' ' PHE . . . . . 0.445 ' CE2' ' HB ' ' A' ' 318' ' ' ILE . 39.3 t80 -141.38 -53.56 0.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.866 -0.606 . . . . 14.45 109.696 178.312 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 19.6 m 54.45 63.52 2.13 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.727 -0.669 . . . . 11.83 112.196 174.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 318' ' ' ILE . . . . . 0.445 ' HB ' ' CE2' ' A' ' 316' ' ' PHE . 6.2 tp -88.69 112.77 24.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.166 0.508 . . . . 10.58 110.216 176.465 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -89.22 141.15 28.96 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 116.13 -0.486 . . . . 7.9 109.914 -178.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 320' ' ' PRO . . . . . 0.538 ' O ' ' HG2' ' A' ' 323' ' ' MET . 61.6 Cg_endo -74.27 137.36 23.37 Favored 'Trans proline' 0 N--CA 1.463 -0.318 0 C-N-CA 122.523 2.149 . . . . 5.65 112.093 -179.184 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -78.21 -22.2 48.89 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.267 0.556 . . . . 5.68 110.178 177.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 52.5 ttm -61.79 -27.36 68.7 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.45 -0.795 . . . . 7.81 111.389 -177.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 323' ' ' MET . . . . . 0.538 ' HG2' ' O ' ' A' ' 320' ' ' PRO . 27.3 ptt? -63.16 -27.75 69.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.512 -0.313 . . . . 6.39 110.594 -178.745 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -65.38 -34.27 77.92 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.958 0.409 . . . . 4.21 110.756 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -69.74 -37.98 76.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 4.47 110.324 178.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -74.16 -19.46 60.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.97 -0.559 . . . . 4.74 110.938 178.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -77.54 -35.17 53.55 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.971 -0.558 . . . . 6.57 110.345 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -80.74 -21.69 40.91 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.494 0.664 . . . . 4.24 110.063 176.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -65.01 -23.65 67.27 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.206 -0.906 . . . . 5.8 111.525 -179.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 86.3 mt -63.72 -25.84 68.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.923 -0.581 . . . . 7.6 111.413 -178.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -69.32 137.38 52.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.407 -0.36 . . . . 8.14 110.311 -178.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 20.9 t -73.75 -17.94 61.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.295 -0.411 . . . . 6.59 111.012 -175.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 21.1 m -91.95 131.97 36.87 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.006 -0.738 . . . . 5.6 109.006 173.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 43.0 p-90 -104.69 151.55 23.57 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.385 0.612 . . . . 5.9 111.558 -173.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 335' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -128.48 -44.37 1.38 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.33 -0.85 . . . . 6.94 109.981 175.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 27.7 ttt -146.19 -45.33 0.2 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 8.73 111.488 178.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 3.1 mpp? -84.58 -11.98 54.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.804 0.335 . . . . 7.24 111.595 -175.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -85.78 35.65 3.21 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.512 -0.851 . . . . 3.36 112.858 -177.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 97.5 mmm -66.15 -29.44 69.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.087 0.47 . . . . 6.75 110.183 -179.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 340' ' ' LEU . . . . . 0.552 ' HA ' ' HG2' ' A' ' 343' ' ' GLN . 86.6 mt -58.54 -31.21 67.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.276 -0.874 . . . . 6.56 111.195 -179.115 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -72.75 -24.91 61.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.9 0.381 . . . . 4.47 110.904 -177.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 40.8 m -93.36 -39.29 11.02 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.362 -0.381 . . . . 4.27 111.068 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 343' ' ' GLN . . . . . 0.552 ' HG2' ' HA ' ' A' ' 340' ' ' LEU . 20.5 pt20 -76.64 -17.64 59.05 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.555 -0.293 . . . . 5.95 111.583 -174.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -80.74 -12.94 59.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.51 -0.314 . . . . 7.71 110.93 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -98.01 52.57 1.06 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.941 0.401 . . . . 6.8 110.955 -174.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 176.04 146.79 0.09 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.531 -0.759 . . . . 6.54 110.277 173.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 11.6 p -127.53 117.15 21.52 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.958 -0.565 . . . . 5.09 110.25 179.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . -111.88 -117.09 3.58 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.54 -0.838 . . . . 5.01 112.482 -177.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 349' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -64.37 -23.87 64.96 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.956 2.437 . . . . 7.2 112.61 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 1.4 p -83.09 81.8 8.52 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.95 -0.568 . . . . 8.35 110.613 177.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 351' ' ' GLY . . . . . . . . . . . . . . . 168.02 -60.94 0.21 Allowed Glycine 0 N--CA 1.446 -0.637 0 CA-C-N 115.744 -0.662 . . . . 7.52 111.759 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 352' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -159.18 163.89 35.62 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.506 -0.553 . . . . 8.82 109.506 178.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 353' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -106.76 32.06 4.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.759 -0.2 . . . . 9.89 110.893 -177.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 25.5 mp0 68.51 -46.6 0.54 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.901 0.88 . . . . 11.44 112.984 175.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 355' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -72.52 -10.89 60.35 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 122.271 -0.268 . . . . 13.09 110.902 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 48.6 tp60 70.25 -82.36 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 123.397 0.679 . . . . 14.95 111.574 177.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 151.31 103.31 0.25 Allowed Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.736 -0.745 . . . . 15.83 112.194 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 358' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -83.31 59.66 5.15 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.439 0.638 . . . . 18.58 110.621 -176.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 359' ' ' MET . . . . . . . . . . . . . 71.9 mtm -126.52 -0.66 6.86 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.416 0.627 . . . . 18.54 109.848 175.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 360' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 . . . . . 0 C--O 1.247 0.958 0 CA-C-N 115.438 -0.801 . . . . 18.56 109.461 -177.706 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 311' ' ' MET . . . . . 0.46 ' HB3' ' HA2' ' A' ' 314' ' ' GLY . 66.3 mtt . . . . . 0 N--CA 1.48 1.045 0 CA-C-O 121.051 0.453 . . . . 20.12 109.831 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 312' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -64.19 -58.35 6.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.771 -0.65 . . . . 17.7 110.817 -173.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 313' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -106.56 16.58 24.42 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.429 -0.582 . . . . 18.68 109.429 176.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 314' ' ' GLY . . . . . 0.46 ' HA2' ' HB3' ' A' ' 311' ' ' MET . . . 89.61 -115.16 4.47 Favored Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 110.719 -0.952 . . . . 15.16 110.719 -172.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -164.87 -170.5 1.98 Allowed 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.934 -0.395 . . . . 14.1 109.934 178.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 316' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 65.77 70.4 0.44 Allowed 'General case' 0 C--N 1.328 -0.368 0 O-C-N 123.628 0.58 . . . . 14.45 112.462 173.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 67.7 m -95.35 78.94 3.45 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.227 -1.027 . . . . 11.83 108.227 167.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 318' ' ' ILE . . . . . . . . . . . . . 18.3 tt -75.54 138.95 19.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.588 -0.733 . . . . 10.58 111.244 -170.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 319' ' ' ASN . . . . . 0.531 ' N ' HD22 ' A' ' 319' ' ' ASN . 0.8 OUTLIER -86.1 139.73 34.62 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.775 -0.648 . . . . 7.9 109.377 179.049 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_endo -60.39 138.88 83.57 Favored 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 122.421 2.081 . . . . 5.65 110.954 175.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -64.1 -32.71 74.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.709 -0.678 . . . . 5.68 111.581 -171.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 56.3 ttp -67.39 -33.08 74.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.199 0.523 . . . . 7.81 109.989 177.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 15.1 tpt -77.41 -39.56 46.62 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.128 -0.487 . . . . 6.39 110.484 178.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -64.85 -39.94 94.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.976 -0.556 . . . . 4.21 110.791 178.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -65.99 -31.68 72.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 4.47 110.66 176.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -74.97 -21.75 58.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.875 -0.602 . . . . 4.74 110.94 178.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -82.53 -35.13 27.56 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.39 -0.596 . . . . 6.57 109.39 176.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -71.33 -16.02 62.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.957 -0.565 . . . . 4.24 110.217 174.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -67.38 -24.14 65.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.566 -0.743 . . . . 5.8 111.028 177.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 82.5 mt -63.62 -27.6 69.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.941 -0.572 . . . . 7.6 111.118 -179.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . 0.503 ' HA ' ' OE1' ' A' ' 331' ' ' GLN . 13.5 mm-40 -81.91 81.24 7.97 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.053 0.454 . . . . 8.14 110.497 178.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 29.3 t -73.45 -28.97 62.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.867 -0.606 . . . . 6.59 110.625 178.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 32.8 m -93.79 134.87 35.68 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 116.078 -0.51 . . . . 5.6 110.391 -179.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 334' ' ' TRP . . . . . 0.52 ' O ' ' HA3' ' A' ' 338' ' ' GLY . 77.2 m95 -107.48 152.53 24.1 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.703 -0.68 . . . . 5.9 110.848 -176.182 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 335' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -99.26 -15.93 18.69 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.612 -0.722 . . . . 6.94 109.489 179.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 55.2 mtt -93.67 -80.6 0.39 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.295 -0.866 . . . . 8.73 110.472 -177.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -79.13 -4.56 50.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.109 0.48 . . . . 7.24 110.369 177.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 338' ' ' GLY . . . . . 0.52 ' HA3' ' O ' ' A' ' 334' ' ' TRP . . . -71.92 9.87 4.78 Favored Glycine 0 C--N 1.332 0.317 0 CA-C-N 115.812 -0.631 . . . . 3.36 112.643 179.289 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 339' ' ' MET . . . . . 0.526 ' O ' ' HG3' ' A' ' 343' ' ' GLN . 26.9 ttt -61.26 -28.44 69.18 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 109.629 -0.508 . . . . 6.75 109.629 176.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 8.0 tt -58.02 -38.47 76.26 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.684 -0.689 . . . . 6.56 110.125 178.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -72.43 -25.51 61.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.896 0.379 . . . . 4.47 110.718 -179.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 7.3 m -79.59 -32.53 41.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.186 0.517 . . . . 4.27 109.854 176.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 343' ' ' GLN . . . . . 0.526 ' HG3' ' O ' ' A' ' 339' ' ' MET . 25.3 mt-30 -77.75 -17.55 57.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.547 -0.751 . . . . 5.95 110.77 179.241 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -63.2 -33.6 75.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.986 -0.552 . . . . 7.71 110.297 -178.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.42 HD22 ' C ' ' A' ' 345' ' ' ASN . 0.2 OUTLIER -76.75 103.43 6.71 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.099 -0.5 . . . . 6.8 109.674 178.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -90.97 126.68 36.15 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.239 -0.652 . . . . 6.54 109.239 179.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 22.3 t -101.67 -60.75 1.48 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.355 -0.384 . . . . 5.09 110.225 -178.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 58.6 70.17 1.07 Allowed Glycine 0 CA--C 1.518 0.269 0 C-N-CA 121.263 -0.494 . . . . 5.01 112.68 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 349' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_exo -72.02 -4.28 14.84 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 122.939 2.426 . . . . 7.2 112.997 -178.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 22.6 t 71.77 -179.71 0.22 Allowed 'General case' 0 C--O 1.234 0.289 0 O-C-N 123.674 0.609 . . . . 8.35 109.972 -178.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 351' ' ' GLY . . . . . . . . . . . . . . . -160.89 51.5 0.35 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.712 -0.756 . . . . 7.52 112.151 -178.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 352' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 61.34 87.25 0.1 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.487 0.66 . . . . 8.82 110.687 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 353' ' ' ASN . . . . . . . . . . . . . 32.0 t-20 -76.51 121.98 23.91 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.376 -0.829 . . . . 9.89 110.096 -175.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -83.02 158.77 22.37 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.728 -0.669 . . . . 11.44 111.092 -177.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 355' ' ' ASN . . . . . 0.429 ' HB3' ' SD ' ' A' ' 359' ' ' MET . 33.5 t30 -63.48 123.27 18.33 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.551 -0.749 . . . . 13.09 110.166 177.056 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -73.33 88.82 1.56 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.535 0.683 . . . . 14.95 110.913 -177.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -172.44 176.87 45.3 Favored Glycine 0 N--CA 1.442 -0.916 0 CA-C-N 115.111 -0.949 . . . . 15.83 110.759 178.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 358' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -82.67 86.09 6.91 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.97 0.414 . . . . 18.58 110.424 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 359' ' ' MET . . . . . 0.429 ' SD ' ' HB3' ' A' ' 355' ' ' ASN . 59.6 mtm -96.85 84.78 3.65 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.054 -0.521 . . . . 18.54 110.06 178.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 360' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 . . . . . 0 C--O 1.252 1.192 0 CA-C-O 118.496 -0.764 . . . . 18.56 109.818 -179.474 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 311' ' ' MET . . . . . . . . . . . . . 95.8 mmm . . . . . 0 N--CA 1.481 1.111 0 N-CA-C 109.612 -0.514 . . . . 20.12 109.612 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 312' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -77.61 71.86 4.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.354 0.597 . . . . 17.7 112.221 -171.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 313' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -102.83 27.25 7.18 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 107.737 -1.209 . . . . 18.68 107.737 167.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 314' ' ' GLY . . . . . . . . . . . . . . . 138.19 147.58 5.21 Favored Glycine 0 N--CA 1.443 -0.895 0 CA-C-N 113.923 -1.49 . . . . 15.16 109.975 -172.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -67.68 -62.44 1.41 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 117.234 0.517 . . . . 14.1 110.802 -178.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 316' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 57.4 32.29 21.55 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.261 0.553 . . . . 14.45 110.829 -179.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 8.6 m -69.96 -26.75 64.26 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.354 0.597 . . . . 11.83 109.669 177.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 318' ' ' ILE . . . . . . . . . . . . . 26.3 pt -134.11 148.98 29.94 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 CA-C-N 115.221 -0.899 . . . . 10.58 109.717 177.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 319' ' ' ASN . . . . . 0.404 ' HA ' ' HD3' ' A' ' 320' ' ' PRO . 7.7 p30 -83.68 145.86 48.45 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 109.136 -0.69 . . . . 7.9 109.136 175.231 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 320' ' ' PRO . . . . . 0.539 ' HD2' ' SD ' ' A' ' 323' ' ' MET . 31.5 Cg_exo -59.01 136.99 77.12 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.948 2.432 . . . . 5.65 112.591 -175.597 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -73.82 -21.96 59.96 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.88 -0.6 . . . . 5.68 110.875 -177.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 24.6 ptt? -63.96 -23.66 67.42 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.072 -0.513 . . . . 7.81 110.728 177.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 323' ' ' MET . . . . . 0.539 ' SD ' ' HD2' ' A' ' 320' ' ' PRO . 88.6 mtp -62.25 -44.95 95.38 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 110.082 -0.34 . . . . 6.39 110.082 177.171 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -69.5 -39.13 77.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.084 0.468 . . . . 4.21 110.385 179.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -62.98 -38.5 91.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.957 -0.565 . . . . 4.47 110.885 178.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -70.36 -23.36 62.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.151 -0.477 . . . . 4.74 110.981 179.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -75.86 -36.17 59.67 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.29 0.567 . . . . 6.57 109.613 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -78.82 -23.76 44.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.704 -0.68 . . . . 4.24 109.856 175.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -69.12 -25.56 64.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.493 -0.776 . . . . 5.8 111.43 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 90.4 mt -60.19 -33.81 72.74 Favored 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 109.386 -0.598 . . . . 7.6 109.386 176.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 51.16 88.55 0.03 OUTLIER 'General case' 0 C--O 1.235 0.296 0 CA-C-N 114.636 -1.165 . . . . 8.14 113.829 170.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 89.0 p -107.26 -2.3 20.89 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.344 -0.984 . . . . 6.59 108.344 167.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 10.7 t -95.86 134.19 39.12 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 114.347 -1.297 . . . . 5.6 111.249 -178.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 61.1 p-90 -101.36 151.89 21.37 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.73 -0.841 . . . . 5.9 108.73 171.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 335' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -104.74 -26.49 12.25 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.629 -0.428 . . . . 6.94 111.41 -173.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 51.3 tpp -175.51 -17.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.305 0.574 . . . . 8.73 110.167 -178.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 337' ' ' MET . . . . . 0.462 ' HB2' ' HG3' ' A' ' 339' ' ' MET . 1.2 mpt? -70.84 -23.36 62.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.496 -0.775 . . . . 7.24 110.082 -177.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . 51.87 48.43 51.22 Favored Glycine 0 C--N 1.334 0.466 0 C-N-CA 120.88 -0.676 . . . . 3.36 111.849 -177.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 339' ' ' MET . . . . . 0.591 ' O ' ' HG2' ' A' ' 343' ' ' GLN . 84.2 mtp -60.38 -45.49 93.34 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 122.235 0.214 . . . . 6.75 111.104 -171.223 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 340' ' ' LEU . . . . . 0.475 ' O ' ' HB2' ' A' ' 344' ' ' GLN . 44.9 tp -67.41 -31.05 70.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.279 -0.419 . . . . 6.56 111.014 -174.584 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -73.65 -25.75 60.43 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.931 0.396 . . . . 4.47 110.887 178.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 40.6 m -88.81 -42.79 11.69 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.239 -0.437 . . . . 4.27 110.95 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 343' ' ' GLN . . . . . 0.591 ' HG2' ' O ' ' A' ' 339' ' ' MET . 3.8 pt20 -79.91 -1.83 41.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.837 0.351 . . . . 5.95 111.136 -177.444 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 344' ' ' GLN . . . . . 0.475 ' HB2' ' O ' ' A' ' 340' ' ' LEU . 8.9 tt0 -79.25 -14.82 58.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.527 0.68 . . . . 7.71 109.634 174.17 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 54.71 33.73 20.09 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 114.424 -1.262 . . . . 6.8 111.627 177.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 69.26 -63.89 0.36 Allowed 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.869 0.731 . . . . 6.54 111.485 -178.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 53.6 m 54.87 70.68 0.6 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.121 0.486 . . . . 5.09 110.689 -177.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . -144.5 158.83 27.64 Favored Glycine 0 N--CA 1.442 -0.929 0 C-N-CA 120.608 -0.806 . . . . 5.01 112.234 -178.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 349' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -75.01 -5.6 16.99 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 123.399 2.733 . . . . 7.2 112.735 -178.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 38.1 m -133.06 58.41 1.77 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.262 0.553 . . . . 8.35 110.827 -178.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 351' ' ' GLY . . . . . . . . . . . . . . . -99.43 19.95 51.73 Favored Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.697 -0.683 . . . . 7.52 111.547 178.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 352' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -84.34 103.02 13.16 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.773 -0.454 . . . . 8.82 109.773 -178.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 353' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -87.72 107.14 18.5 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.179 0.514 . . . . 9.89 111.146 -177.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -113.85 -46.03 3.05 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.612 -0.722 . . . . 11.44 110.543 178.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 355' ' ' ASN . . . . . . . . . . . . . 29.2 p30 -134.2 -7.2 2.64 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.292 -0.413 . . . . 13.09 111.687 -178.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.46 103.0 2.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.624 0.726 . . . . 14.95 110.463 177.426 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -167.05 86.46 0.1 OUTLIER Glycine 0 N--CA 1.44 -1.057 0 N-CA-C 110.521 -1.032 . . . . 15.83 110.521 -179.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 358' ' ' ASN . . . . . 0.534 ' H ' HD22 ' A' ' 358' ' ' ASN . 0.1 OUTLIER -71.49 58.63 0.28 Allowed 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 121.089 0.471 . . . . 18.58 112.152 -178.234 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 359' ' ' MET . . . . . . . . . . . . . 1.9 mpt? 69.0 -68.54 0.18 Allowed 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.517 -0.765 . . . . 18.54 110.987 -179.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 360' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.78 -0.629 . . . . 18.56 109.785 179.637 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 311' ' ' MET . . . . . . . . . . . . . 21.7 ttt . . . . . 0 N--CA 1.482 1.17 0 N-CA-C 109.402 -0.592 . . . . 20.12 109.402 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 312' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -83.94 142.91 30.19 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.107 -0.497 . . . . 17.7 111.258 -172.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 313' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -145.06 162.25 37.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.754 -0.657 . . . . 18.68 109.545 175.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 314' ' ' GLY . . . . . . . . . . . . . . . -157.22 131.72 3.01 Favored Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 111.368 -0.693 . . . . 15.16 111.368 179.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -65.3 -67.72 0.42 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.714 0.292 . . . . 14.1 110.775 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 316' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -116.04 -25.28 7.72 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.257 -0.429 . . . . 14.45 110.625 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 32.5 t -158.3 150.36 21.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.038 0.447 . . . . 11.83 110.352 179.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 318' ' ' ILE . . . . . . . . . . . . . 32.2 pt -101.31 11.86 7.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.867 -0.606 . . . . 10.58 110.845 178.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -90.87 139.32 26.02 Favored Pre-proline 0 C--N 1.326 -0.427 0 N-CA-C 109.353 -0.61 . . . . 7.9 109.353 178.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_endo -59.12 137.75 81.14 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.884 2.389 . . . . 5.65 112.442 -178.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -72.94 -21.71 60.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.856 -0.611 . . . . 5.68 111.573 -173.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 44.1 mtm -59.88 -34.48 73.22 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.271 0.558 . . . . 7.81 110.284 178.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 20.5 mmt -71.24 -40.86 70.77 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.605 -0.725 . . . . 6.39 110.263 -177.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -65.94 -39.17 90.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.091 -0.504 . . . . 4.21 110.383 177.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -64.33 -39.19 93.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.044 -0.526 . . . . 4.47 110.892 178.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -72.81 -22.79 60.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.157 0.504 . . . . 4.74 110.875 177.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -76.63 -35.38 58.07 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.731 -0.668 . . . . 6.57 109.546 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -79.29 -20.4 48.11 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.475 -0.784 . . . . 4.24 110.524 175.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -73.19 -34.64 66.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.08 -0.509 . . . . 5.8 111.086 178.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 43.3 tp -71.01 -23.51 62.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.57 -0.741 . . . . 7.6 110.216 178.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -107.94 -155.82 0.56 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.255 -0.884 . . . . 8.14 109.676 179.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 12.1 m 74.81 -53.83 0.67 Allowed 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.388 0.675 . . . . 6.59 110.754 179.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 11.1 p -93.61 131.17 39.15 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.398 -0.593 . . . . 5.6 109.398 173.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 21.5 m-90 -94.58 149.69 20.99 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.103 0.477 . . . . 5.9 111.471 -175.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 335' ' ' ASP . . . . . . . . . . . . . 22.3 t70 169.38 -41.39 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.574 -1.194 . . . . 6.94 108.314 -176.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 67.6 mtm -108.81 -51.53 2.87 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.708 -1.133 . . . . 8.73 109.401 -179.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 24.2 mmt -71.41 -22.29 61.88 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.499 -0.773 . . . . 7.24 109.816 176.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -80.46 -6.13 89.46 Favored Glycine 0 N--CA 1.448 -0.52 0 CA-C-N 115.251 -0.886 . . . . 3.36 111.769 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 339' ' ' MET . . . . . 0.453 ' O ' ' HG3' ' A' ' 343' ' ' GLN . 62.6 mtt -68.27 -32.61 72.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.657 0.265 . . . . 6.75 110.349 -178.627 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.84 -28.7 69.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 6.56 110.885 -178.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -74.84 -20.24 59.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 4.47 110.586 179.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 6.1 m -96.36 -48.4 5.6 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.081 -0.509 . . . . 4.27 110.775 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 343' ' ' GLN . . . . . 0.643 ' HA ' ' O ' ' A' ' 346' ' ' GLN . 0.0 OUTLIER -76.14 -2.75 32.55 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.004 -0.544 . . . . 5.95 112.079 -171.754 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -71.28 -24.51 62.17 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.053 0.454 . . . . 7.71 110.238 174.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -95.21 -56.72 2.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.408 0.623 . . . . 6.8 109.509 176.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 346' ' ' GLN . . . . . 0.643 ' O ' ' HA ' ' A' ' 343' ' ' GLN . 93.7 mt-30 -121.96 111.91 17.64 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.245 -0.889 . . . . 6.54 109.278 177.125 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 9.0 t -73.12 84.03 1.32 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.036 0.446 . . . . 5.09 110.078 -178.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 105.0 -172.84 20.24 Favored Glycine 0 N--CA 1.443 -0.857 0 N-CA-C 111.718 -0.553 . . . . 5.01 111.718 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 349' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -76.78 -5.17 15.74 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 123.549 2.833 . . . . 7.2 112.215 179.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 15.9 m -80.77 57.38 2.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.042 -0.526 . . . . 8.35 111.034 -178.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 351' ' ' GLY . . . . . . . . . . . . . . . -73.92 -23.22 76.87 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.859 -0.686 . . . . 7.52 111.403 176.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 352' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -144.74 123.56 12.65 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.419 -0.586 . . . . 8.82 109.419 176.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 353' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -74.42 -32.27 62.6 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.302 -0.408 . . . . 9.89 110.973 -174.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -90.64 44.02 1.18 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.393 0.616 . . . . 11.44 110.427 -177.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 355' ' ' ASN . . . . . . . . . . . . . 32.2 t30 -70.31 -71.89 0.22 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.972 -0.558 . . . . 13.09 110.837 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -162.45 118.49 1.93 Allowed 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.94 -0.393 . . . . 14.95 109.94 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 89.13 -133.95 12.11 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.76 -0.733 . . . . 15.83 111.883 -178.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 358' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -137.52 161.19 37.05 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.325 -0.62 . . . . 18.58 109.325 -178.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 359' ' ' MET . . . . . . . . . . . . . 24.0 ptt? -75.99 61.94 1.57 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.909 0.861 . . . . 18.54 110.185 178.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 360' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 . . . . . 0 C--O 1.249 1.067 0 CA-C-N 114.628 -1.169 . . . . 18.56 110.387 -175.109 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 311' ' ' MET . . . . . . . . . . . . . 26.0 ttt . . . . . 0 N--CA 1.482 1.149 0 CA-C-O 120.987 0.422 . . . . 20.12 110.212 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 312' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -80.7 -74.22 0.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.291 -0.413 . . . . 17.7 110.373 179.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 313' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -97.13 -12.03 23.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.97 0.414 . . . . 18.68 110.518 176.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 314' ' ' GLY . . . . . . . . . . . . . . . 150.15 -125.3 1.92 Allowed Glycine 0 N--CA 1.446 -0.66 0 N-CA-C 111.295 -0.722 . . . . 15.16 111.295 -177.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -112.22 147.35 36.39 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 110.096 -0.335 . . . . 14.1 110.096 178.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 316' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -96.34 149.69 21.41 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.072 0.463 . . . . 14.45 110.877 179.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 14.0 m -77.48 80.68 3.96 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.542 -0.754 . . . . 11.83 110.661 -179.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 318' ' ' ILE . . . . . . . . . . . . . 11.1 tt -139.89 130.04 29.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.227 0.537 . . . . 10.58 110.879 -178.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -110.5 140.52 22.61 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 115.426 -0.806 . . . . 7.9 109.559 177.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -66.16 136.47 44.29 Favored 'Trans proline' 0 C--N 1.343 0.261 0 C-N-CA 122.228 1.952 . . . . 5.65 111.507 177.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -64.72 -23.75 67.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.853 -0.612 . . . . 5.68 111.455 -172.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -62.1 -33.8 75.12 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.99 -0.55 . . . . 7.81 110.915 176.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 65.8 mtt -76.4 -29.52 57.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.924 0.392 . . . . 6.39 110.343 -179.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -71.52 -39.56 70.68 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.938 -0.574 . . . . 4.21 109.949 176.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -66.51 -39.24 88.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.97 -0.559 . . . . 4.47 110.757 178.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -68.02 -25.75 65.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.136 -0.484 . . . . 4.74 111.379 179.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -81.78 -34.0 30.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.237 0.541 . . . . 6.57 109.598 179.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -75.45 -14.71 60.45 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.738 -0.665 . . . . 4.24 110.647 177.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -64.2 -23.47 67.32 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.504 -0.771 . . . . 5.8 111.095 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 85.6 mt -61.75 -23.64 66.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.812 -0.631 . . . . 7.6 110.96 178.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -100.01 114.71 28.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.313 -0.403 . . . . 8.14 110.224 178.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 13.6 m -73.68 90.79 1.84 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.003 0.43 . . . . 6.59 110.71 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 4.3 p -88.55 142.84 27.37 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.18 -0.464 . . . . 5.6 110.9 178.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 67.3 p-90 -94.63 152.73 18.26 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.305 -0.407 . . . . 5.9 110.162 178.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 335' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -148.18 -12.76 0.36 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.359 -0.382 . . . . 6.94 111.22 -178.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 39.5 tpp -156.93 -31.27 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 121.002 -0.279 . . . . 8.73 110.731 -172.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 60.4 mtm -71.75 -9.04 57.69 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.617 0.246 . . . . 7.24 111.397 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -86.68 46.53 3.59 Favored Glycine 0 C--O 1.23 -0.138 0 C-N-CA 120.345 -0.931 . . . . 3.36 111.922 179.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 339' ' ' MET . . . . . 0.419 ' O ' ' HG3' ' A' ' 343' ' ' GLN . 88.7 mtp -68.05 -37.41 81.29 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.173 0.434 . . . . 6.75 112.173 -172.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -63.07 -25.27 68.29 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 111.839 0.311 . . . . 6.56 111.839 -172.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -72.36 -24.13 61.23 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.875 0.369 . . . . 4.47 110.935 177.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 15.4 m -101.91 -27.0 13.23 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.086 -0.506 . . . . 4.27 111.11 -179.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 343' ' ' GLN . . . . . 0.419 ' HG3' ' O ' ' A' ' 339' ' ' MET . 39.2 mt-30 -75.7 -11.25 59.96 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 111.81 0.3 . . . . 5.95 111.81 -174.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 25.4 pt20 -69.96 -26.87 64.32 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.414 -0.587 . . . . 7.71 109.414 172.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -89.76 -13.15 37.34 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.48 -0.782 . . . . 6.8 109.525 179.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -79.52 50.77 1.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.204 -0.907 . . . . 6.54 109.796 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 14.8 m -75.39 107.11 7.29 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.84 -0.618 . . . . 5.09 110.456 -178.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . -118.62 163.28 13.14 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.775 -0.726 . . . . 5.01 111.965 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 349' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -73.34 -5.28 16.87 Favored 'Trans proline' 0 C--O 1.234 0.307 0 C-N-CA 122.884 2.389 . . . . 7.2 112.72 179.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 24.6 t 75.81 -52.18 0.63 Allowed 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 123.841 0.856 . . . . 8.35 111.477 178.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 351' ' ' GLY . . . . . . . . . . . . . . . 157.81 99.99 0.16 Allowed Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.769 -0.729 . . . . 7.52 112.091 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 352' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -99.01 76.01 2.08 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.247 0.546 . . . . 8.82 109.774 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 353' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -136.24 75.22 1.53 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.762 -0.653 . . . . 9.89 110.311 -177.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 64.07 172.97 0.18 Allowed 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.89 0.852 . . . . 11.44 112.657 176.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 355' ' ' ASN . . . . . . . . . . . . . 55.7 m-80 -131.93 105.65 7.57 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.045 -0.979 . . . . 13.09 108.882 173.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 49.6 tp60 -123.43 -23.8 4.74 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.987 0.422 . . . . 14.95 110.761 -175.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 130.74 -77.3 0.4 Allowed Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 111.041 -0.824 . . . . 15.83 111.041 -177.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 358' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -93.75 67.1 3.8 Favored 'General case' 0 C--N 1.317 -0.804 0 CA-C-O 121.39 0.614 . . . . 18.58 110.416 177.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 359' ' ' MET . . . . . . . . . . . . . 48.4 tpp -94.94 83.28 3.94 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.188 0.518 . . . . 18.54 110.304 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 360' ' ' GLN . . . . . 0.492 ' NE2' ' H ' ' A' ' 360' ' ' GLN . 0.4 OUTLIER . . . . . 0 C--O 1.252 1.226 0 CA-C-N 115.829 -0.623 . . . . 18.56 110.102 178.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 311' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.481 1.084 0 N-CA-C 109.623 -0.51 . . . . 20.12 109.623 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 312' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -161.29 148.86 15.14 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.411 -0.589 . . . . 17.7 109.411 179.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 313' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -83.36 107.46 15.89 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.781 0.324 . . . . 18.68 110.135 -177.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 314' ' ' GLY . . . . . . . . . . . . . . . 119.25 28.27 2.02 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 121.016 -0.611 . . . . 15.16 111.728 -176.217 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -106.71 -9.07 16.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.94 0.4 . . . . 14.1 110.842 178.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 316' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -116.4 23.88 11.76 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.473 0.654 . . . . 14.45 109.98 -177.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 2.0 p -112.39 119.59 38.79 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.877 -0.601 . . . . 11.83 111.594 -177.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 318' ' ' ILE . . . . . . . . . . . . . 2.5 mp 71.22 -50.2 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 123.589 0.755 . . . . 10.58 112.035 177.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 319' ' ' ASN . . . . . 0.425 ' HA ' ' HD3' ' A' ' 320' ' ' PRO . 50.1 m-80 -95.3 144.43 27.8 Favored Pre-proline 0 C--N 1.319 -0.719 0 CA-C-N 116.575 -0.284 . . . . 7.9 110.273 -179.021 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 320' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 319' ' ' ASN . 16.7 Cg_exo -68.11 136.63 38.3 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.347 2.032 . . . . 5.65 111.299 176.482 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -74.57 -30.47 61.73 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.625 -0.716 . . . . 5.68 110.913 -176.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 45.1 ttm -63.93 -41.36 97.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.066 -0.516 . . . . 7.81 110.802 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 323' ' ' MET . . . . . 0.469 ' O ' ' HG3' ' A' ' 327' ' ' GLN . 46.7 tpp -66.6 -44.04 83.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.271 -0.422 . . . . 6.39 110.424 179.21 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -64.97 -38.98 92.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 4.21 110.94 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -68.53 -34.09 75.25 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.026 -0.534 . . . . 4.47 110.881 178.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -68.01 -26.58 65.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.432 -0.349 . . . . 4.74 111.046 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 327' ' ' GLN . . . . . 0.469 ' HG3' ' O ' ' A' ' 323' ' ' MET . 52.0 mt-30 -76.27 -29.12 57.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.161 0.505 . . . . 6.57 109.826 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -85.37 -20.54 29.75 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.984 -0.553 . . . . 4.24 109.885 174.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -73.33 -31.22 63.86 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.749 -0.659 . . . . 5.8 111.516 -178.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 327' ' ' GLN . 4.3 pp -72.36 -23.49 61.14 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.295 -0.411 . . . . 7.6 111.218 -177.026 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -93.31 133.17 36.82 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 109.714 -0.476 . . . . 8.14 109.714 177.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 1.8 p -98.92 168.6 10.0 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 116.094 -0.503 . . . . 6.59 110.423 178.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 3.3 t -70.8 131.24 43.51 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 108.693 -0.855 . . . . 5.6 108.693 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 25.0 p90 -94.9 150.58 20.03 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.363 0.601 . . . . 5.9 112.149 -169.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 335' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -147.39 -23.32 0.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.247 -0.888 . . . . 6.94 109.677 176.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 55.4 ttp -110.91 -41.84 4.14 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.555 -0.906 . . . . 8.73 108.555 176.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 96.4 mmm -71.81 -10.97 60.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.463 -0.789 . . . . 7.24 109.601 174.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -67.67 -5.52 38.24 Favored Glycine 0 C--N 1.333 0.365 0 CA-C-N 115.66 -0.7 . . . . 3.36 111.937 175.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 339' ' ' MET . . . . . 0.662 ' O ' ' HG2' ' A' ' 343' ' ' GLN . 26.2 ttt -64.69 -33.97 77.21 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.626 -0.509 . . . . 6.75 109.626 178.369 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 50.0 tp -64.68 -29.81 70.81 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.439 -0.8 . . . . 6.56 110.663 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -74.96 -25.02 58.56 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.047 0.451 . . . . 4.47 110.448 178.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 45.0 m -85.62 -15.74 41.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.056 -0.52 . . . . 4.27 110.297 177.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 343' ' ' GLN . . . . . 0.662 ' HG2' ' O ' ' A' ' 339' ' ' MET . 31.2 mm-40 -76.49 -3.18 35.97 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.014 -0.539 . . . . 5.95 110.191 179.527 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -64.25 -26.52 68.54 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 121.68 0.752 . . . . 7.71 109.029 172.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.519 ' HB2' ' HA ' ' A' ' 349' ' ' PRO . 37.7 m-80 -103.29 88.38 3.11 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.944 -1.025 . . . . 6.8 108.659 173.706 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -84.86 3.26 38.78 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.172 -0.467 . . . . 6.54 111.777 -173.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 38.6 m -111.66 16.97 20.35 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.554 0.692 . . . . 5.09 109.207 172.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 348' ' ' GLY . . . . . 0.414 ' HA2' ' HD3' ' A' ' 349' ' ' PRO . . . 113.47 128.57 4.83 Favored Glycine 0 N--CA 1.446 -0.692 0 CA-C-N 115.239 -0.891 . . . . 5.01 111.696 -178.455 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 349' ' ' PRO . . . . . 0.519 ' HA ' ' HB2' ' A' ' 345' ' ' ASN . 31.8 Cg_exo -59.93 -24.38 76.04 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.881 2.387 . . . . 7.2 111.748 -177.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 48.7 m -146.54 41.08 1.12 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.256 -0.884 . . . . 8.35 108.895 172.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 351' ' ' GLY . . . . . . . . . . . . . . . -70.22 139.5 30.94 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 115.187 -0.915 . . . . 7.52 112.514 -177.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 352' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -108.2 148.07 30.45 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.725 0.298 . . . . 8.82 110.897 -176.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 353' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -83.28 -10.85 58.28 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.717 -0.846 . . . . 9.89 108.717 170.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 64.91 -149.04 0.26 Allowed 'General case' 0 C--N 1.339 0.146 0 CA-C-N 114.9 -1.045 . . . . 11.44 111.192 173.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 355' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -80.37 109.51 14.93 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.27 -0.423 . . . . 13.09 110.595 178.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -118.44 -165.78 1.15 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.568 -0.287 . . . . 14.95 110.263 177.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 118.67 -31.11 5.68 Favored Glycine 0 N--CA 1.446 -0.665 0 N-CA-C 109.776 -1.33 . . . . 15.83 109.776 -173.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 358' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -100.79 140.69 34.72 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.524 -0.838 . . . . 18.58 108.789 171.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 359' ' ' MET . . . . . . . . . . . . . 22.8 mmt -96.0 -0.16 50.92 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.374 -0.602 . . . . 18.54 109.374 178.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 360' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 117.819 -1.086 . . . . 18.56 110.59 -179.004 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 311' ' ' MET . . . . . . . . . . . . . 87.7 mmm . . . . . 0 N--CA 1.481 1.098 0 N-CA-C 109.451 -0.574 . . . . 20.12 109.451 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 312' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -107.19 84.27 1.95 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.832 -0.433 . . . . 17.7 109.832 175.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 313' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -79.83 -52.79 7.45 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.847 -0.615 . . . . 18.68 110.351 -177.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 314' ' ' GLY . . . . . . . . . . . . . . . 151.09 163.58 11.46 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.735 -0.745 . . . . 15.16 111.842 -178.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . 55.99 39.08 30.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.045 0.45 . . . . 14.1 111.415 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 316' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -90.37 45.66 1.28 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.874 0.845 . . . . 14.45 109.85 179.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 15.0 m -78.19 -14.33 59.5 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.486 -0.779 . . . . 11.83 110.191 178.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 318' ' ' ILE . . . . . 0.448 ' N ' HD12 ' A' ' 318' ' ' ILE . 4.3 mp -97.06 108.92 22.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.879 -0.6 . . . . 10.58 109.832 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 25.9 p-10 -84.09 150.63 58.62 Favored Pre-proline 0 C--N 1.322 -0.612 0 N-CA-C 109.524 -0.547 . . . . 7.9 109.524 177.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo -64.54 135.92 47.89 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.382 2.054 . . . . 5.65 112.197 -178.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -72.33 -18.35 61.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.605 -0.725 . . . . 5.68 111.142 -178.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 28.4 ttt -58.08 -28.42 64.55 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.666 -0.697 . . . . 7.81 111.428 -177.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 27.6 ttt -65.32 -40.29 93.54 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.924 0.392 . . . . 6.39 110.447 177.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -73.37 -33.75 65.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 4.21 110.495 179.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -61.81 -39.18 90.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.867 -0.606 . . . . 4.47 110.523 177.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -67.45 -24.94 65.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.121 -0.49 . . . . 4.74 110.838 179.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -76.2 -36.07 58.78 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.568 -0.531 . . . . 6.57 109.568 -179.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -74.92 -32.4 61.77 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.686 -0.688 . . . . 4.24 109.834 174.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -64.95 -36.76 85.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.628 -0.715 . . . . 5.8 111.342 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -70.98 -36.08 72.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 7.6 110.952 178.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -83.62 55.54 3.26 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.425 0.631 . . . . 8.14 110.284 -179.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 20.2 m -119.83 -20.44 7.58 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.614 -0.721 . . . . 6.59 110.68 178.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 11.3 t -96.16 150.39 20.57 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.503 -0.555 . . . . 5.6 109.503 177.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 34.4 p90 -96.65 152.32 18.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.979 0.418 . . . . 5.9 111.469 -176.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 335' ' ' ASP . . . . . . . . . . . . . 20.8 t0 178.75 49.59 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 107.567 -1.271 . . . . 6.94 107.567 -174.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 61.7 mtm -121.18 -45.04 2.37 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.691 -1.14 . . . . 8.73 110.682 -175.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 64.1 mtt -83.25 -18.37 39.41 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.011 -0.541 . . . . 7.24 110.841 -178.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . 65.02 46.36 89.32 Favored Glycine 0 N--CA 1.452 -0.281 0 CA-C-N 115.524 -0.762 . . . . 3.36 111.928 -178.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 88.1 mtp -59.95 -29.37 68.36 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 122.572 0.349 . . . . 6.75 111.907 -172.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 89.3 mt -58.53 -26.57 63.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.242 -0.435 . . . . 6.56 111.741 -175.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -72.33 -24.25 61.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.718 -0.219 . . . . 4.47 111.5 -176.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 20.2 t -107.68 -22.11 12.62 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.87 -0.332 . . . . 4.27 111.046 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -76.83 -23.33 52.75 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.913 -0.315 . . . . 5.95 111.502 -177.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -81.64 -12.26 58.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.93 0.395 . . . . 7.71 111.157 175.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.44 ' HA ' ' O ' ' A' ' 348' ' ' GLY . 2.8 t-20 -136.45 43.43 2.47 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.661 0.743 . . . . 6.8 109.829 -178.241 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -85.81 -59.32 2.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.689 -0.687 . . . . 6.54 109.979 -178.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 15.7 p -107.85 63.87 0.62 Allowed 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.507 -0.553 . . . . 5.09 109.507 175.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 348' ' ' GLY . . . . . 0.44 ' O ' ' HA ' ' A' ' 345' ' ' ASN . . . 77.74 -152.25 38.72 Favored Glycine 0 N--CA 1.444 -0.771 0 N-CA-C 110.835 -0.906 . . . . 5.01 110.835 -172.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 349' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -77.6 -24.27 9.06 Favored 'Trans proline' 0 N--CA 1.461 -0.438 0 C-N-CA 122.19 1.927 . . . . 7.2 111.98 176.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 14.9 m -100.55 105.46 16.88 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.839 -0.618 . . . . 8.35 110.936 -177.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 351' ' ' GLY . . . . . . . . . . . . . . . -77.69 -12.37 84.54 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.741 -0.742 . . . . 7.52 112.264 177.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 352' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -117.82 74.77 0.96 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.973 -0.38 . . . . 8.82 109.973 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 353' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -79.29 91.4 5.02 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.18 0.514 . . . . 9.89 110.756 -177.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -151.9 74.53 1.11 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.39 -0.823 . . . . 11.44 109.44 173.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 355' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -96.01 95.4 8.18 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.241 -0.89 . . . . 13.09 110.931 -174.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -94.1 99.8 12.02 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.185 -0.462 . . . . 14.95 110.034 179.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -138.97 -143.46 4.44 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.939 -0.648 . . . . 15.83 111.979 -178.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 358' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -110.29 32.87 4.82 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.817 0.341 . . . . 18.58 110.31 -177.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 359' ' ' MET . . . . . . . . . . . . . 15.7 tpt 61.13 40.94 14.27 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 121.964 0.888 . . . . 18.54 109.601 -175.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 360' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 . . . . . 0 C--O 1.247 0.934 0 CA-C-N 114.941 -1.027 . . . . 18.56 109.066 176.043 . . . . . . . . 0 0 . 1 stop_ save_