data_1pes_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 1pes _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.274 0 N-CA-C 109.55 -1.42 . . . . 2.1200000000000001 109.55 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -126.54 -171.04 2.31 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.284 -1.127 . . . . 2.1299999999999999 109.449 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.581 ' CZ ' ' HG3' ' B' ' 333' ' ' ARG . 5.7 m-85 -101.15 118.17 36.46 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.261 -0.899 . . . . 2.7599999999999998 109.594 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.576 ' HB3' ' CE1' ' B' ' 338' ' ' PHE . 10.3 m-85 -112.3 154.23 25.99 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.215 -0.928 . . . . 2.4100000000000001 109.154 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 329' ' ' THR . . . . . 0.575 ' CG2' ' CG2' ' B' ' 329' ' ' THR . 0.2 OUTLIER -118.4 133.05 56.2 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.314 -0.866 . . . . 1.1599999999999999 109.718 -179.739 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.561 ' CD2' ' ND2' ' B' ' 345' ' ' ASN . 0.1 OUTLIER -113.09 91.33 3.61 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 107.968 -1.123 . . . . 1.5700000000000001 107.968 178.545 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . 0.483 ' HA ' ' O ' ' B' ' 328' ' ' PHE . 32.6 mt-30 -84.75 111.73 19.86 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.384 -0.822 . . . . 2.0600000000000001 109.258 -179.497 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 4.4 mt -112.19 127.33 69.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.297 -0.877 . . . . 1.1599999999999999 109.638 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . 0.421 ' HG3' ' CZ ' ' B' ' 327' ' ' TYR . 5.4 ttp180 -85.5 110.08 18.94 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.304 -0.872 . . . . 3.71 109.249 179.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 156.87 -136.17 4.81 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.424 -1.47 . . . . 0.77000000000000002 109.424 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.418 ' O ' ' HG3' ' A' ' 339' ' ' GLU . 5.3 ttt180 -166.83 -52.03 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.329 -1.101 . . . . 2.5499999999999998 109.206 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -69.43 -51.24 38.17 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.276 -0.89 . . . . 2.2400000000000002 109.233 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 4.7 mtm180 -55.22 -42.12 72.95 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.306 -0.872 . . . . 2.4199999999999999 109.127 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.566 ' CE1' HD11 ' B' ' 330' ' ' LEU . 94.5 t80 -58.34 -37.94 76.15 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.28 -0.887 . . . . 2.23 109.061 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' A' ' 335' ' ' ARG . 24.1 mt-10 -65.69 -43.63 88.63 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.204 -0.935 . . . . 1.6100000000000001 109.093 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 340' ' ' MET . . . . . 0.476 ' HE2' HD12 ' C' ' 344' ' ' LEU . 6.7 mtp -49.26 -57.73 6.28 Favored 'General case' 0 N--CA 1.489 1.5 0 CA-C-O 121.845 0.831 . . . . 1.1299999999999999 109.549 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.598 ' CD1' ' CD1' ' B' ' 341' ' ' PHE . 8.2 m-85 -59.91 -36.15 76.4 Favored 'General case' 0 C--N 1.293 -1.851 0 CA-C-O 121.733 0.778 . . . . 2.21 109.315 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.4 -35.99 68.39 Favored 'General case' 0 C--N 1.293 -1.859 0 N-CA-C 109.109 -0.701 . . . . 2.8700000000000001 109.109 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . 0.466 ' HB3' ' HE2' ' C' ' 340' ' ' MET . 2.4 tp10 -70.46 -53.53 15.98 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.215 -0.928 . . . . 1.6200000000000001 108.841 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . 0.538 ' HB3' ' CD1' ' D' ' 344' ' ' LEU . 1.9 mm? -57.18 -21.72 35.23 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.278 -0.889 . . . . 1.0700000000000001 108.679 179.357 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . 0.522 ' ND2' ' CD2' ' B' ' 330' ' ' LEU . 1.1 t-20 -83.99 -32.9 24.72 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.532 -0.73 . . . . 2.0800000000000001 109.484 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . 0.483 ' O ' ' HB3' ' A' ' 350' ' ' LEU . 4.4 tt0 -66.77 -38.84 87.37 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.314 -0.866 . . . . 1.8899999999999999 109.459 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . 0.535 ' HA ' ' CD2' ' A' ' 350' ' ' LEU . . . -74.71 -52.77 10.7 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.173 -0.954 . . . . 1.0800000000000001 110.23 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 344' ' ' LEU . 57.4 mt -51.82 -52.73 47.04 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.128 -0.982 . . . . 1.1899999999999999 108.664 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -59.73 -28.81 67.67 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.244 -0.91 . . . . 1.54 108.79 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . 0.554 HD23 ' CA ' ' D' ' 351' ' ' LYS . 0.2 OUTLIER -69.32 -30.07 68.04 Favored 'General case' 0 C--N 1.31 -1.138 0 O-C-N 121.055 -1.028 . . . . 1.1699999999999999 109.092 179.805 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . 0.534 ' CA ' HD23 ' D' ' 350' ' ' LEU . 13.1 tttt -66.61 -38.29 86.68 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 108.763 -0.829 . . . . 2.21 108.763 179.459 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -67.94 -31.3 70.95 Favored 'General case' 0 C--N 1.296 -1.734 0 C-N-CA 119.775 -0.77 . . . . 1.6499999999999999 109.133 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -83.79 -19.25 35.36 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.249 -0.907 . . . . 1.3400000000000001 109.812 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . 0.496 ' HG3' HD12 ' D' ' 350' ' ' LEU . 5.2 mt-30 -47.27 140.03 5.77 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.434 -0.792 . . . . 1.6399999999999999 109.535 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 117.992 -1.004 . . . . 3.2000000000000002 109.494 179.94 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.267 0 N-CA-C 109.553 -1.419 . . . . 2.1200000000000001 109.553 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -126.56 -170.74 2.26 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.284 -1.127 . . . . 2.1299999999999999 109.467 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.421 ' CZ ' ' HG3' ' A' ' 333' ' ' ARG . 5.8 m-85 -101.45 118.54 37.16 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.29 -0.881 . . . . 2.7599999999999998 109.537 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.483 ' O ' ' HA ' ' A' ' 331' ' ' GLN . 10.4 m-85 -112.99 153.55 27.88 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.278 -0.889 . . . . 2.4100000000000001 109.387 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.575 ' CG2' ' CG2' ' A' ' 329' ' ' THR . 0.2 OUTLIER -117.73 137.06 52.95 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.201 -0.937 . . . . 1.1499999999999999 109.6 179.856 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.566 HD11 ' CE1' ' A' ' 338' ' ' PHE . 0.1 OUTLIER -116.76 83.32 1.95 Allowed 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.775 -0.824 . . . . 1.54 108.775 179.563 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . 0.51 ' HA ' ' O ' ' A' ' 328' ' ' PHE . 35.6 mt-30 -77.12 112.24 13.56 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.251 -0.905 . . . . 2.0600000000000001 109.827 -179.316 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 4.5 mt -112.32 127.37 69.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.254 -0.904 . . . . 1.1699999999999999 109.381 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . 0.581 ' HG3' ' CZ ' ' A' ' 327' ' ' TYR . 5.7 ttp180 -85.78 110.32 19.27 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.225 -0.922 . . . . 3.7200000000000002 109.425 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 156.24 -135.73 4.67 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.507 -1.437 . . . . 0.78000000000000003 109.507 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.421 ' O ' ' HG3' ' B' ' 339' ' ' GLU . 5.2 ttt180 -166.82 -52.25 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.273 -1.134 . . . . 2.5600000000000001 109.265 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -68.97 -51.09 43.14 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.252 -0.905 . . . . 2.25 109.354 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -55.36 -42.77 74.33 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.274 -0.892 . . . . 2.4199999999999999 109.225 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.576 ' CE1' ' HB3' ' A' ' 328' ' ' PHE . 94.6 t80 -57.75 -38.1 74.78 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.275 -0.891 . . . . 2.2400000000000002 109.063 179.64 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . 0.434 ' HA ' ' HB2' ' B' ' 342' ' ' ARG . 23.2 mt-10 -65.5 -44.22 87.69 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.269 -0.894 . . . . 1.6100000000000001 109.042 179.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 340' ' ' MET . . . . . 0.458 ' HE1' HD23 ' D' ' 344' ' ' LEU . 7.0 mtp -49.48 -58.04 5.9 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.298 -0.876 . . . . 1.1299999999999999 108.999 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.598 ' CD1' ' CD1' ' A' ' 341' ' ' PHE . 11.8 m-85 -59.95 -33.11 71.48 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.43 -0.794 . . . . 2.2200000000000002 109.081 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . 0.434 ' HB2' ' HA ' ' B' ' 339' ' ' GLU . 0.0 OUTLIER -58.94 -35.26 72.82 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.339 -0.85 . . . . 2.8700000000000001 109.248 179.855 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . 0.455 ' HG2' ' SD ' ' D' ' 340' ' ' MET . 2.4 tp10 -70.64 -54.14 13.1 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.241 -0.912 . . . . 1.6200000000000001 108.967 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . 0.532 ' HB2' ' CE1' ' A' ' 341' ' ' PHE . 1.8 mm? -57.25 -20.72 29.41 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.504 -0.924 . . . . 1.0700000000000001 108.504 179.306 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . 0.561 ' ND2' ' CD2' ' A' ' 330' ' ' LEU . 1.1 m-20 -84.22 -33.56 24.1 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.511 -0.743 . . . . 2.0699999999999998 109.289 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . 0.484 ' O ' ' HB3' ' B' ' 350' ' ' LEU . 4.4 tt0 -67.13 -38.76 86.12 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.295 -0.878 . . . . 1.8899999999999999 109.511 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . 0.529 ' HA ' ' CD2' ' B' ' 350' ' ' LEU . . . -73.64 -55.0 6.84 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.308 -0.87 . . . . 1.0800000000000001 109.667 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' B' ' 344' ' ' LEU . 64.0 mt -50.14 -54.1 23.0 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.184 -0.948 . . . . 1.1899999999999999 109.18 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -58.9 -30.39 67.75 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.326 -0.859 . . . . 1.55 109.064 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . 0.529 ' CD2' ' HA ' ' B' ' 347' ' ' ALA . 0.2 OUTLIER -67.19 -31.88 72.57 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.304 -0.873 . . . . 1.1699999999999999 108.938 179.841 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . 0.503 ' CB ' HD23 ' C' ' 350' ' ' LEU . 13.2 tttt -65.19 -37.32 86.94 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.259 -0.901 . . . . 2.21 108.94 179.582 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -69.22 -30.44 68.6 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.394 -0.816 . . . . 1.6599999999999999 109.164 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -84.39 -18.7 35.23 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.364 -0.835 . . . . 1.3400000000000001 109.393 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . 0.469 ' CD ' ' CD1' ' C' ' 350' ' ' LEU . 6.2 mt-30 -48.67 141.11 7.52 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.275 -0.891 . . . . 1.6399999999999999 109.46 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.511 0 CA-C-O 118.05 -0.976 . . . . 3.2000000000000002 109.469 -179.923 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.31 0 N-CA-C 109.577 -1.409 . . . . 2.1299999999999999 109.577 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -126.49 -170.61 2.23 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.3 -1.118 . . . . 2.1200000000000001 109.501 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.581 ' CZ ' ' HG3' ' D' ' 333' ' ' ARG . 5.7 m-85 -101.5 118.38 36.84 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.264 -0.897 . . . . 2.77 109.51 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.548 ' HB3' ' CE1' ' D' ' 338' ' ' PHE . 10.6 m-85 -112.44 154.32 26.02 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.278 -0.889 . . . . 2.4199999999999999 109.336 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 329' ' ' THR . . . . . 0.474 ' CG2' ' CG2' ' D' ' 329' ' ' THR . 0.3 OUTLIER -118.58 134.49 55.06 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.228 -0.92 . . . . 1.1499999999999999 109.731 -179.825 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.577 HD11 ' CE1' ' D' ' 338' ' ' PHE . 0.1 OUTLIER -114.79 84.65 2.11 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.362 -0.836 . . . . 1.55 108.937 179.565 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . 0.449 ' HA ' ' O ' ' D' ' 328' ' ' PHE . 35.6 mt-30 -78.58 112.71 15.93 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.256 -0.903 . . . . 2.0499999999999998 109.755 -179.536 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 4.5 mt -112.87 127.36 70.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.317 -0.865 . . . . 1.1699999999999999 109.378 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . 0.568 ' HG3' ' CZ ' ' D' ' 327' ' ' TYR . 5.5 ttp180 -85.69 110.21 19.14 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.257 -0.902 . . . . 3.71 109.434 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 156.34 -135.68 4.63 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.559 -1.416 . . . . 0.77000000000000002 109.559 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.417 ' O ' ' HG3' ' C' ' 339' ' ' GLU . 5.2 ttt180 -166.82 -52.27 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.319 -1.106 . . . . 2.5499999999999998 109.284 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -68.93 -51.27 41.63 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.298 -0.876 . . . . 2.25 109.24 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 4.8 mtm180 -55.34 -42.39 73.77 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.245 -0.909 . . . . 2.4199999999999999 109.197 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.575 ' CE1' HD11 ' D' ' 330' ' ' LEU . 94.2 t80 -57.89 -38.27 75.47 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.298 -0.876 . . . . 2.2400000000000002 109.068 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . 0.429 ' HA ' ' HB2' ' C' ' 342' ' ' ARG . 23.3 mt-10 -65.42 -44.47 87.27 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.252 -0.905 . . . . 1.6200000000000001 109.024 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 340' ' ' MET . . . . . 0.47 ' HE1' HD23 ' A' ' 344' ' ' LEU . 7.0 mtp -49.16 -58.15 5.48 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.377 -0.827 . . . . 1.1299999999999999 109.02 179.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.585 ' CD1' ' CD1' ' D' ' 341' ' ' PHE . 11.8 m-85 -59.77 -33.22 71.41 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.433 -0.792 . . . . 2.23 109.134 179.66 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . 0.429 ' HB2' ' HA ' ' C' ' 339' ' ' GLU . 0.0 OUTLIER -58.8 -35.41 72.79 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.348 -0.845 . . . . 2.8700000000000001 109.251 179.848 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . 0.453 ' HG2' ' SD ' ' A' ' 340' ' ' MET . 2.4 tp10 -70.55 -54.33 12.55 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.25 -0.906 . . . . 1.6299999999999999 108.869 179.539 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . 0.521 ' HB2' ' CE1' ' D' ' 341' ' ' PHE . 1.9 mm? -56.63 -21.1 24.78 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.551 -0.907 . . . . 1.0800000000000001 108.551 179.356 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . 0.553 ' ND2' ' CD2' ' D' ' 330' ' ' LEU . 1.0 OUTLIER -84.89 -32.79 22.99 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.438 -0.789 . . . . 2.0899999999999999 109.382 -179.887 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . 0.484 ' O ' ' HB3' ' C' ' 350' ' ' LEU . 4.5 tt0 -67.51 -38.79 84.81 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.26 -0.9 . . . . 1.8999999999999999 109.449 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . 0.52 ' HA ' ' CD2' ' C' ' 350' ' ' LEU . . . -73.6 -54.54 7.93 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.318 -0.864 . . . . 1.0800000000000001 109.596 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' C' ' 344' ' ' LEU . 63.1 mt -50.58 -54.2 24.48 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.086 -1.009 . . . . 1.1799999999999999 109.191 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -58.8 -30.14 67.38 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.342 -0.849 . . . . 1.54 109.119 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . 0.521 HD13 ' CD1' ' B' ' 350' ' ' LEU . 0.2 OUTLIER -67.46 -31.89 72.36 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.337 -0.852 . . . . 1.1799999999999999 108.939 179.862 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . 0.526 ' CA ' HD23 ' B' ' 350' ' ' LEU . 13.1 tttt -65.06 -37.41 87.45 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.255 -0.903 . . . . 2.2000000000000002 108.932 179.547 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -69.23 -30.39 68.53 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.33 -0.856 . . . . 1.6599999999999999 109.141 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -84.41 -18.47 35.94 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.316 -0.865 . . . . 1.3400000000000001 109.437 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . 0.488 ' CD ' ' CD1' ' B' ' 350' ' ' LEU . 6.3 mt-30 -48.94 141.31 7.81 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.222 -0.923 . . . . 1.6200000000000001 109.507 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 117.993 -1.003 . . . . 3.2000000000000002 109.404 -179.971 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.293 0 N-CA-C 109.546 -1.422 . . . . 2.1299999999999999 109.546 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -126.52 -170.64 2.24 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.206 -1.173 . . . . 2.1200000000000001 109.471 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.568 ' CZ ' ' HG3' ' C' ' 333' ' ' ARG . 5.7 m-85 -101.52 118.43 36.94 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.248 -0.907 . . . . 2.77 109.529 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.526 ' HB3' ' CE1' ' C' ' 338' ' ' PHE . 10.5 m-85 -112.43 154.28 26.06 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.287 -0.883 . . . . 2.4199999999999999 109.341 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.474 ' CG2' ' CG2' ' C' ' 329' ' ' THR . 0.3 OUTLIER -118.55 134.49 55.05 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.15 -0.969 . . . . 1.1499999999999999 109.732 -179.879 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . 0.575 HD11 ' CE1' ' C' ' 338' ' ' PHE . 0.1 OUTLIER -114.79 84.67 2.11 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.36 -0.838 . . . . 1.55 108.889 179.596 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . 0.444 ' HA ' ' O ' ' C' ' 328' ' ' PHE . 35.5 mt-30 -78.66 112.64 15.96 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.251 -0.906 . . . . 2.0499999999999998 109.721 -179.514 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 4.5 mt -112.75 127.41 70.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.286 -0.884 . . . . 1.1699999999999999 109.363 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . 0.581 ' HG3' ' CZ ' ' C' ' 327' ' ' TYR . 5.6 ttp180 -85.69 110.24 19.17 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.274 -0.891 . . . . 3.71 109.492 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 156.27 -135.67 4.63 Favored Glycine 0 N--CA 1.489 2.221 0 N-CA-C 109.583 -1.407 . . . . 0.77000000000000002 109.583 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.418 ' O ' ' HG3' ' D' ' 339' ' ' GLU . 5.2 ttt180 -166.77 -52.29 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.292 -1.123 . . . . 2.5600000000000001 109.336 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -68.92 -51.28 41.59 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.305 -0.872 . . . . 2.25 109.286 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 4.8 mtm180 -55.3 -42.41 73.62 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.217 -0.927 . . . . 2.4199999999999999 109.209 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.577 ' CE1' HD11 ' C' ' 330' ' ' LEU . 94.3 t80 -57.96 -38.17 75.51 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.223 -0.923 . . . . 2.2400000000000002 109.104 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' D' ' 335' ' ' ARG . 23.2 mt-10 -65.48 -44.28 87.62 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.321 -0.862 . . . . 1.6200000000000001 109.047 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 340' ' ' MET . . . . . 0.475 ' HE2' HD12 ' B' ' 344' ' ' LEU . 7.0 mtp -49.32 -58.0 5.85 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.335 -0.853 . . . . 1.1299999999999999 108.996 179.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.585 ' CD1' ' CD1' ' C' ' 341' ' ' PHE . 11.7 m-85 -59.92 -33.23 71.61 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.434 -0.792 . . . . 2.2200000000000002 109.125 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . 0.417 ' HB2' ' HA ' ' D' ' 339' ' ' GLU . 0.0 OUTLIER -58.9 -35.34 72.88 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.351 -0.843 . . . . 2.8700000000000001 109.213 179.87 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . 0.452 ' HG2' ' SD ' ' B' ' 340' ' ' MET . 2.5 tp10 -70.49 -54.3 12.81 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.271 -0.893 . . . . 1.6299999999999999 108.875 179.566 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . 0.538 ' CD1' ' HB3' ' A' ' 344' ' ' LEU . 1.9 mm? -57.0 -20.89 26.6 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.237 -0.914 . . . . 1.0600000000000001 108.629 179.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . 0.547 ' ND2' ' CD2' ' C' ' 330' ' ' LEU . 1.0 OUTLIER -84.71 -33.02 23.23 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.515 -0.741 . . . . 2.0899999999999999 109.37 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . 0.486 ' O ' ' HB3' ' D' ' 350' ' ' LEU . 4.4 tt0 -67.08 -38.88 86.5 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.275 -0.891 . . . . 1.8999999999999999 109.482 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . 0.526 ' HA ' ' CD2' ' D' ' 350' ' ' LEU . . . -73.52 -54.99 6.93 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.342 -0.849 . . . . 1.0800000000000001 109.695 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' D' ' 344' ' ' LEU . 63.6 mt -50.23 -54.08 23.6 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.171 -0.956 . . . . 1.1799999999999999 109.182 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -58.91 -30.18 67.63 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.318 -0.864 . . . . 1.54 109.075 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . 0.539 HD13 ' CD1' ' A' ' 350' ' ' LEU . 0.2 OUTLIER -67.18 -31.94 72.69 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.31 -0.869 . . . . 1.1799999999999999 108.95 179.839 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . 0.554 ' CA ' HD23 ' A' ' 350' ' ' LEU . 13.1 tttt -65.29 -37.29 86.7 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.345 -0.847 . . . . 2.2000000000000002 109.077 179.626 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -69.24 -30.09 68.16 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.361 -0.837 . . . . 1.6599999999999999 109.158 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -84.76 -18.79 33.98 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.356 -0.84 . . . . 1.3400000000000001 109.44 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . 0.516 ' NE2' HD11 ' A' ' 350' ' ' LEU . 6.4 mt-30 -48.97 141.53 7.61 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.205 -0.934 . . . . 1.6200000000000001 109.451 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 117.989 -1.005 . . . . 3.2000000000000002 109.409 -179.963 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.274 0 N-CA-C 109.55 -1.42 . . . . 1.5700000000000001 109.55 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -126.54 -171.04 2.31 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.284 -1.127 . . . . 2.1299999999999999 109.449 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.586 ' CE1' ' HG3' ' B' ' 333' ' ' ARG . 5.7 m-85 -101.15 118.17 36.46 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.261 -0.899 . . . . 1.8600000000000001 109.594 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.597 ' HB3' ' CE1' ' B' ' 338' ' ' PHE . 10.3 m-85 -112.3 154.23 25.99 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.215 -0.928 . . . . 1.5 109.154 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 329' ' ' THR . . . . . 1.085 HG22 HG22 ' B' ' 329' ' ' THR . 0.2 OUTLIER -118.4 133.05 56.2 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.314 -0.866 . . . . 0.46999999999999997 109.718 -179.739 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.876 HD12 ' CE1' ' B' ' 338' ' ' PHE . 0.1 OUTLIER -113.09 91.33 3.61 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 107.968 -1.123 . . . . 0.94999999999999996 107.968 178.545 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 331' ' ' GLN . . . . . 0.694 ' HG2' HG23 ' B' ' 329' ' ' THR . 32.6 mt-30 -84.75 111.73 19.86 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.384 -0.822 . . . . 2.0600000000000001 109.258 -179.497 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.46 HD11 HD23 ' A' ' 330' ' ' LEU . 4.4 mt -112.19 127.33 69.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.297 -0.877 . . . . 0.53000000000000003 109.638 -179.609 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 333' ' ' ARG . . . . . 0.423 ' HG3' ' CZ ' ' B' ' 327' ' ' TYR . 5.4 ttp180 -85.5 110.08 18.94 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.304 -0.872 . . . . 3.29 109.249 179.772 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 156.87 -136.17 4.81 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.424 -1.47 . . . . 0.57999999999999996 109.424 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.431 ' O ' ' HG3' ' A' ' 339' ' ' GLU . 5.3 ttt180 -166.83 -52.03 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.329 -1.101 . . . . 2.04 109.206 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -69.43 -51.24 38.17 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.276 -0.89 . . . . 2.2400000000000002 109.233 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 4.7 mtm180 -55.22 -42.12 72.95 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.306 -0.872 . . . . 1.95 109.127 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.977 ' CE1' HD12 ' B' ' 330' ' ' LEU . 94.5 t80 -58.34 -37.94 76.15 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.28 -0.887 . . . . 1.3600000000000001 109.061 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 339' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' A' ' 335' ' ' ARG . 24.1 mt-10 -65.69 -43.63 88.63 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.204 -0.935 . . . . 1.6100000000000001 109.093 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 340' ' ' MET . . . . . 0.52 ' HE3' HD21 ' C' ' 344' ' ' LEU . 6.7 mtp -49.26 -57.73 6.28 Favored 'General case' 0 N--CA 1.489 1.5 0 CA-C-O 121.845 0.831 . . . . 0.62 109.549 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.598 ' CD1' ' CD1' ' B' ' 341' ' ' PHE . 8.2 m-85 -59.91 -36.15 76.4 Favored 'General case' 0 C--N 1.293 -1.851 0 CA-C-O 121.733 0.778 . . . . 1.28 109.315 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 342' ' ' ARG . . . . . 0.406 ' HB2' ' HA ' ' A' ' 339' ' ' GLU . 0.0 OUTLIER -56.4 -35.99 68.39 Favored 'General case' 0 C--N 1.293 -1.859 0 N-CA-C 109.109 -0.701 . . . . 2.3700000000000001 109.109 179.731 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 343' ' ' GLU . . . . . 0.443 ' HG2' ' SD ' ' C' ' 340' ' ' MET . 2.4 tp10 -70.46 -53.53 15.98 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.215 -0.928 . . . . 1.6200000000000001 108.841 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.797 ' HB3' HD12 ' D' ' 344' ' ' LEU . 1.9 mm? -57.18 -21.72 35.23 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.278 -0.889 . . . . 0.40000000000000002 108.679 179.357 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 345' ' ' ASN . . . . . 0.522 ' ND2' ' CD2' ' B' ' 330' ' ' LEU . 1.1 t-20 -83.99 -32.9 24.72 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.532 -0.73 . . . . 1.77 109.484 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 346' ' ' GLU . . . . . 0.494 ' O ' ' HB3' ' A' ' 350' ' ' LEU . 4.4 tt0 -66.77 -38.84 87.37 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.314 -0.866 . . . . 1.8899999999999999 109.459 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.989 ' HA ' HD23 ' A' ' 350' ' ' LEU . . . -74.71 -52.77 10.7 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.173 -0.954 . . . . 0.28999999999999998 110.23 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.767 HD23 ' HB2' ' D' ' 347' ' ' ALA . 57.4 mt -51.82 -52.73 47.04 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.128 -0.982 . . . . 0.48999999999999999 108.664 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -59.73 -28.81 67.67 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.244 -0.91 . . . . 1.48 108.79 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 1.048 HD11 HD11 ' D' ' 350' ' ' LEU . 0.2 OUTLIER -69.32 -30.07 68.04 Favored 'General case' 0 C--N 1.31 -1.138 0 O-C-N 121.055 -1.028 . . . . 0.40999999999999998 109.092 179.805 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.569 ' HG3' HD22 ' D' ' 350' ' ' LEU . 13.1 tttt -66.61 -38.29 86.68 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 108.763 -0.829 . . . . 1.73 108.763 179.459 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -67.94 -31.3 70.95 Favored 'General case' 0 C--N 1.296 -1.734 0 C-N-CA 119.775 -0.77 . . . . 1.6499999999999999 109.133 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -83.79 -19.25 35.36 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.249 -0.907 . . . . 1.3 109.812 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 354' ' ' GLN . . . . . 0.619 ' CD ' HD13 ' D' ' 350' ' ' LEU . 1.2 mt-30 -47.27 140.03 5.77 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.434 -0.792 . . . . 1.6399999999999999 109.535 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 355' ' ' ALA . . . . . 0.476 ' HB2' ' O ' ' A' ' 354' ' ' GLN . . . . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 117.992 -1.004 . . . . 3.1499999999999999 109.494 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.267 0 N-CA-C 109.553 -1.419 . . . . 1.5700000000000001 109.553 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -126.56 -170.74 2.26 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.284 -1.127 . . . . 2.1299999999999999 109.467 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.423 ' CZ ' ' HG3' ' A' ' 333' ' ' ARG . 5.8 m-85 -101.45 118.54 37.16 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.29 -0.881 . . . . 1.8600000000000001 109.537 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.496 ' O ' ' HA ' ' A' ' 331' ' ' GLN . 10.4 m-85 -112.99 153.55 27.88 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.278 -0.889 . . . . 1.5 109.387 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 329' ' ' THR . . . . . 1.085 HG22 HG22 ' A' ' 329' ' ' THR . 0.2 OUTLIER -117.73 137.06 52.95 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.201 -0.937 . . . . 0.48999999999999999 109.6 179.856 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.977 HD12 ' CE1' ' A' ' 338' ' ' PHE . 0.1 OUTLIER -116.76 83.32 1.95 Allowed 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.775 -0.824 . . . . 0.91000000000000003 108.775 179.563 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 331' ' ' GLN . . . . . 0.627 ' HG2' HG23 ' A' ' 329' ' ' THR . 35.6 mt-30 -77.12 112.24 13.56 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.251 -0.905 . . . . 2.0600000000000001 109.827 -179.316 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 4.5 mt -112.32 127.37 69.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.254 -0.904 . . . . 0.54000000000000004 109.381 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.586 ' HG3' ' CE1' ' A' ' 327' ' ' TYR . 5.7 ttp180 -85.78 110.32 19.27 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.225 -0.922 . . . . 3.29 109.425 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 156.24 -135.73 4.67 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.507 -1.437 . . . . 0.58999999999999997 109.507 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.438 ' O ' ' HG3' ' B' ' 339' ' ' GLU . 5.2 ttt180 -166.82 -52.25 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.273 -1.134 . . . . 2.04 109.265 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -68.97 -51.09 43.14 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.252 -0.905 . . . . 2.25 109.354 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -55.36 -42.77 74.33 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.274 -0.892 . . . . 1.95 109.225 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.876 ' CE1' HD12 ' A' ' 330' ' ' LEU . 94.6 t80 -57.75 -38.1 74.78 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.275 -0.891 . . . . 1.3600000000000001 109.063 179.64 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 339' ' ' GLU . . . . . 0.449 ' HA ' ' HB2' ' B' ' 342' ' ' ARG . 23.2 mt-10 -65.5 -44.22 87.69 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.269 -0.894 . . . . 1.6100000000000001 109.042 179.649 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 340' ' ' MET . . . . . 0.474 ' HE3' HD21 ' D' ' 344' ' ' LEU . 7.0 mtp -49.48 -58.04 5.9 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.298 -0.876 . . . . 0.64000000000000001 108.999 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.598 ' CD1' ' CD1' ' A' ' 341' ' ' PHE . 11.8 m-85 -59.95 -33.11 71.48 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.43 -0.794 . . . . 1.3 109.081 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 342' ' ' ARG . . . . . 0.449 ' HB2' ' HA ' ' B' ' 339' ' ' GLU . 0.0 OUTLIER -58.94 -35.26 72.82 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.339 -0.85 . . . . 2.3700000000000001 109.248 179.855 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 343' ' ' GLU . . . . . 0.443 ' HG2' ' SD ' ' D' ' 340' ' ' MET . 2.4 tp10 -70.64 -54.14 13.1 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.241 -0.912 . . . . 1.6200000000000001 108.967 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.794 ' HB3' HD12 ' C' ' 344' ' ' LEU . 1.8 mm? -57.25 -20.72 29.41 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.504 -0.924 . . . . 0.44 108.504 179.306 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.561 ' ND2' ' CD2' ' A' ' 330' ' ' LEU . 1.1 m-20 -84.22 -33.56 24.1 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.511 -0.743 . . . . 1.77 109.289 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 346' ' ' GLU . . . . . 0.496 ' O ' ' HB3' ' B' ' 350' ' ' LEU . 4.4 tt0 -67.13 -38.76 86.12 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.295 -0.878 . . . . 1.8899999999999999 109.511 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 1.036 ' HA ' HD23 ' B' ' 350' ' ' LEU . . . -73.64 -55.0 6.84 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.308 -0.87 . . . . 0.29999999999999999 109.667 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.723 HD23 ' HB2' ' C' ' 347' ' ' ALA . 64.0 mt -50.14 -54.1 23.0 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.184 -0.948 . . . . 0.48999999999999999 109.18 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -58.9 -30.39 67.75 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.326 -0.859 . . . . 1.48 109.064 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 1.036 HD23 ' HA ' ' B' ' 347' ' ' ALA . 0.2 OUTLIER -67.19 -31.88 72.57 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.304 -0.873 . . . . 0.40999999999999998 108.938 179.841 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.607 ' HG3' HD22 ' C' ' 350' ' ' LEU . 13.2 tttt -65.19 -37.32 86.94 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.259 -0.901 . . . . 1.73 108.94 179.582 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -69.22 -30.44 68.6 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.394 -0.816 . . . . 1.6599999999999999 109.164 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -84.39 -18.7 35.23 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.364 -0.835 . . . . 1.3 109.393 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 354' ' ' GLN . . . . . 0.625 ' CD ' HD13 ' C' ' 350' ' ' LEU . 1.3 mt-30 -48.67 141.11 7.52 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.275 -0.891 . . . . 1.6399999999999999 109.46 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 355' ' ' ALA . . . . . 0.468 ' HB2' ' O ' ' B' ' 354' ' ' GLN . . . . . . . . 0 N--CA 1.489 1.511 0 CA-C-O 118.05 -0.976 . . . . 3.1499999999999999 109.469 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.31 0 N-CA-C 109.577 -1.409 . . . . 1.5800000000000001 109.577 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -126.49 -170.61 2.23 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.3 -1.118 . . . . 2.1200000000000001 109.501 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.582 ' CZ ' ' HG3' ' D' ' 333' ' ' ARG . 5.7 m-85 -101.5 118.38 36.84 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.264 -0.897 . . . . 1.8700000000000001 109.51 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.569 ' HB3' ' CE1' ' D' ' 338' ' ' PHE . 10.6 m-85 -112.44 154.32 26.02 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.278 -0.889 . . . . 1.5 109.336 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 329' ' ' THR . . . . . 1.057 HG22 HG22 ' D' ' 329' ' ' THR . 0.3 OUTLIER -118.58 134.49 55.06 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.228 -0.92 . . . . 0.47999999999999998 109.731 -179.825 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.95 HD12 ' CE1' ' D' ' 338' ' ' PHE . 0.1 OUTLIER -114.79 84.65 2.11 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.362 -0.836 . . . . 0.92000000000000004 108.937 179.565 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 331' ' ' GLN . . . . . 0.673 ' HG2' HG23 ' D' ' 329' ' ' THR . 35.6 mt-30 -78.58 112.71 15.93 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.256 -0.903 . . . . 2.0499999999999998 109.755 -179.536 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 4.5 mt -112.87 127.36 70.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.317 -0.865 . . . . 0.53000000000000003 109.378 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 333' ' ' ARG . . . . . 0.572 ' HG3' ' CZ ' ' D' ' 327' ' ' TYR . 5.5 ttp180 -85.69 110.21 19.14 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.257 -0.902 . . . . 3.29 109.434 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 156.34 -135.68 4.63 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.559 -1.416 . . . . 0.58999999999999997 109.559 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.431 ' O ' ' HG3' ' C' ' 339' ' ' GLU . 5.2 ttt180 -166.82 -52.27 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.319 -1.106 . . . . 2.04 109.284 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -68.93 -51.27 41.63 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.298 -0.876 . . . . 2.25 109.24 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 4.8 mtm180 -55.34 -42.39 73.77 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.245 -0.909 . . . . 1.95 109.197 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.957 ' CE1' HD12 ' D' ' 330' ' ' LEU . 94.2 t80 -57.89 -38.27 75.47 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.298 -0.876 . . . . 1.3600000000000001 109.068 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 339' ' ' GLU . . . . . 0.442 ' HA ' ' HB2' ' C' ' 342' ' ' ARG . 23.3 mt-10 -65.42 -44.47 87.27 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.252 -0.905 . . . . 1.6200000000000001 109.024 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 340' ' ' MET . . . . . 0.507 ' HE3' HD21 ' A' ' 344' ' ' LEU . 7.0 mtp -49.16 -58.15 5.48 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.377 -0.827 . . . . 0.64000000000000001 109.02 179.616 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.585 ' CD1' ' CD1' ' D' ' 341' ' ' PHE . 11.8 m-85 -59.77 -33.22 71.41 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.433 -0.792 . . . . 1.3 109.134 179.66 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 342' ' ' ARG . . . . . 0.442 ' HB2' ' HA ' ' C' ' 339' ' ' GLU . 0.0 OUTLIER -58.8 -35.41 72.79 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.348 -0.845 . . . . 2.3700000000000001 109.251 179.848 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 343' ' ' GLU . . . . . 0.442 ' HG2' ' SD ' ' A' ' 340' ' ' MET . 2.4 tp10 -70.55 -54.33 12.55 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.25 -0.906 . . . . 1.6299999999999999 108.869 179.539 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.794 HD12 ' HB3' ' B' ' 344' ' ' LEU . 1.9 mm? -56.63 -21.1 24.78 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.551 -0.907 . . . . 0.44 108.551 179.356 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 345' ' ' ASN . . . . . 0.553 ' ND2' ' CD2' ' D' ' 330' ' ' LEU . 1.0 OUTLIER -84.89 -32.79 22.99 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.438 -0.789 . . . . 1.77 109.382 -179.887 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 346' ' ' GLU . . . . . 0.494 ' O ' ' HB3' ' C' ' 350' ' ' LEU . 4.5 tt0 -67.51 -38.79 84.81 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.26 -0.9 . . . . 1.8999999999999999 109.449 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 1.014 ' HA ' HD23 ' C' ' 350' ' ' LEU . . . -73.6 -54.54 7.93 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.318 -0.864 . . . . 0.29999999999999999 109.596 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.699 HD23 ' HB2' ' B' ' 347' ' ' ALA . 63.1 mt -50.58 -54.2 24.48 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.086 -1.009 . . . . 0.48999999999999999 109.191 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -58.8 -30.14 67.38 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.342 -0.849 . . . . 1.48 109.119 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 1.022 HD11 HD11 ' B' ' 350' ' ' LEU . 0.2 OUTLIER -67.46 -31.89 72.36 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.337 -0.852 . . . . 0.40999999999999998 108.939 179.862 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 351' ' ' LYS . . . . . 0.636 ' HG3' HD22 ' B' ' 350' ' ' LEU . 13.1 tttt -65.06 -37.41 87.45 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.255 -0.903 . . . . 1.72 108.932 179.547 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -69.23 -30.39 68.53 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.33 -0.856 . . . . 1.6599999999999999 109.141 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -84.41 -18.47 35.94 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.316 -0.865 . . . . 1.29 109.437 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 354' ' ' GLN . . . . . 0.666 ' CD ' HD13 ' B' ' 350' ' ' LEU . 1.3 mt-30 -48.94 141.31 7.81 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.222 -0.923 . . . . 1.6200000000000001 109.507 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 355' ' ' ALA . . . . . 0.479 ' HB2' ' O ' ' C' ' 354' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 117.993 -1.003 . . . . 3.1699999999999999 109.404 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.293 0 N-CA-C 109.546 -1.422 . . . . 1.5800000000000001 109.546 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -126.52 -170.64 2.24 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.206 -1.173 . . . . 2.1200000000000001 109.471 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.572 ' CZ ' ' HG3' ' C' ' 333' ' ' ARG . 5.7 m-85 -101.52 118.43 36.94 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.248 -0.907 . . . . 1.8700000000000001 109.529 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.55 ' HB3' ' CE1' ' C' ' 338' ' ' PHE . 10.5 m-85 -112.43 154.28 26.06 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.287 -0.883 . . . . 1.5 109.341 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 329' ' ' THR . . . . . 1.057 HG22 HG22 ' C' ' 329' ' ' THR . 0.3 OUTLIER -118.55 134.49 55.05 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.15 -0.969 . . . . 0.47999999999999998 109.732 -179.879 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.957 HD12 ' CE1' ' C' ' 338' ' ' PHE . 0.1 OUTLIER -114.79 84.67 2.11 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.36 -0.838 . . . . 0.92000000000000004 108.889 179.596 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 331' ' ' GLN . . . . . 0.669 ' HG2' HG23 ' C' ' 329' ' ' THR . 35.5 mt-30 -78.66 112.64 15.96 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.251 -0.906 . . . . 2.0499999999999998 109.721 -179.514 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 4.5 mt -112.75 127.41 70.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.286 -0.884 . . . . 0.54000000000000004 109.363 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 333' ' ' ARG . . . . . 0.582 ' HG3' ' CZ ' ' C' ' 327' ' ' TYR . 5.6 ttp180 -85.69 110.24 19.17 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.274 -0.891 . . . . 3.29 109.492 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 156.27 -135.67 4.63 Favored Glycine 0 N--CA 1.489 2.221 0 N-CA-C 109.583 -1.407 . . . . 0.58999999999999997 109.583 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.434 ' O ' ' HG3' ' D' ' 339' ' ' GLU . 5.2 ttt180 -166.77 -52.29 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.292 -1.123 . . . . 2.0499999999999998 109.336 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -68.92 -51.28 41.59 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.305 -0.872 . . . . 2.25 109.286 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 4.8 mtm180 -55.3 -42.41 73.62 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.217 -0.927 . . . . 1.95 109.209 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.95 ' CE1' HD12 ' C' ' 330' ' ' LEU . 94.3 t80 -57.96 -38.17 75.51 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.223 -0.923 . . . . 1.3600000000000001 109.104 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 339' ' ' GLU . . . . . 0.434 ' HG3' ' O ' ' D' ' 335' ' ' ARG . 23.2 mt-10 -65.48 -44.28 87.62 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.321 -0.862 . . . . 1.6200000000000001 109.047 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 340' ' ' MET . . . . . 0.486 ' HE3' HD21 ' B' ' 344' ' ' LEU . 7.0 mtp -49.32 -58.0 5.85 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.335 -0.853 . . . . 0.64000000000000001 108.996 179.575 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.585 ' CD1' ' CD1' ' C' ' 341' ' ' PHE . 11.7 m-85 -59.92 -33.23 71.61 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.434 -0.792 . . . . 1.3 109.125 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 342' ' ' ARG . . . . . 0.431 ' HB2' ' HA ' ' D' ' 339' ' ' GLU . 0.0 OUTLIER -58.9 -35.34 72.88 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.351 -0.843 . . . . 2.3700000000000001 109.213 179.87 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 343' ' ' GLU . . . . . 0.438 ' HG2' ' SD ' ' B' ' 340' ' ' MET . 2.5 tp10 -70.49 -54.3 12.81 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.271 -0.893 . . . . 1.6299999999999999 108.875 179.566 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.797 HD12 ' HB3' ' A' ' 344' ' ' LEU . 1.9 mm? -57.0 -20.89 26.6 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.237 -0.914 . . . . 0.44 108.629 179.365 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 345' ' ' ASN . . . . . 0.547 ' ND2' ' CD2' ' C' ' 330' ' ' LEU . 1.0 OUTLIER -84.71 -33.02 23.23 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.515 -0.741 . . . . 1.77 109.37 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 346' ' ' GLU . . . . . 0.499 ' O ' ' HB3' ' D' ' 350' ' ' LEU . 4.4 tt0 -67.08 -38.88 86.5 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.275 -0.891 . . . . 1.8999999999999999 109.482 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 1.033 ' HA ' HD23 ' D' ' 350' ' ' LEU . . . -73.52 -54.99 6.93 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.342 -0.849 . . . . 0.29999999999999999 109.695 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.668 HD23 ' HB2' ' A' ' 347' ' ' ALA . 63.6 mt -50.23 -54.08 23.6 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.171 -0.956 . . . . 0.47999999999999998 109.182 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -58.91 -30.18 67.63 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.318 -0.864 . . . . 1.48 109.075 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 1.048 HD11 HD11 ' A' ' 350' ' ' LEU . 0.2 OUTLIER -67.18 -31.94 72.69 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.31 -0.869 . . . . 0.40000000000000002 108.95 179.839 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.648 ' HG3' HD22 ' A' ' 350' ' ' LEU . 13.1 tttt -65.29 -37.29 86.7 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.345 -0.847 . . . . 1.72 109.077 179.626 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -69.24 -30.09 68.16 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.361 -0.837 . . . . 1.6599999999999999 109.158 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -84.76 -18.79 33.98 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.356 -0.84 . . . . 1.29 109.44 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 354' ' ' GLN . . . . . 0.672 ' CD ' HD13 ' A' ' 350' ' ' LEU . 1.4 mt-30 -48.97 141.53 7.61 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.205 -0.934 . . . . 1.6200000000000001 109.451 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 355' ' ' ALA . . . . . 0.479 ' HB2' ' O ' ' D' ' 354' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 117.989 -1.005 . . . . 3.1600000000000001 109.409 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.274 0 N-CA-C 109.55 -1.42 . . . . 1.5700000000000001 109.55 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -126.54 -171.04 2.31 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.284 -1.127 . . . . 2.1299999999999999 109.449 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.586 ' CE1' ' HG3' ' B' ' 333' ' ' ARG . 5.7 m-85 -101.15 118.17 36.46 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.261 -0.899 . . . . 1.8600000000000001 109.594 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.597 ' HB3' ' CE1' ' B' ' 338' ' ' PHE . 10.3 m-85 -112.3 154.23 25.99 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.215 -0.928 . . . . 1.5 109.154 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 1.085 HG22 HG22 ' B' ' 329' ' ' THR . 0.2 OUTLIER -118.4 133.05 56.2 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.314 -0.866 . . . . 0.46999999999999997 109.718 -179.739 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.876 HD12 ' CE1' ' B' ' 338' ' ' PHE . 0.1 OUTLIER -113.09 91.33 3.61 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 107.968 -1.123 . . . . 0.94999999999999996 107.968 178.545 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . 0.694 ' HG2' HG23 ' B' ' 329' ' ' THR . 32.6 mt-30 -84.75 111.73 19.86 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.384 -0.822 . . . . 2.0600000000000001 109.258 -179.497 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.46 HD11 HD23 ' A' ' 330' ' ' LEU . 4.4 mt -112.19 127.33 69.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.297 -0.877 . . . . 0.53000000000000003 109.638 -179.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . 0.423 ' HG3' ' CZ ' ' B' ' 327' ' ' TYR . 5.4 ttp180 -85.5 110.08 18.94 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.304 -0.872 . . . . 3.29 109.249 179.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 156.87 -136.17 4.81 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.424 -1.47 . . . . 0.57999999999999996 109.424 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.431 ' O ' ' HG3' ' A' ' 339' ' ' GLU . 5.3 ttt180 -166.83 -52.03 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.329 -1.101 . . . . 2.04 109.206 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -69.43 -51.24 38.17 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.276 -0.89 . . . . 2.2400000000000002 109.233 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 4.7 mtm180 -55.22 -42.12 72.95 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.306 -0.872 . . . . 1.95 109.127 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.977 ' CE1' HD12 ' B' ' 330' ' ' LEU . 94.5 t80 -58.34 -37.94 76.15 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.28 -0.887 . . . . 1.3600000000000001 109.061 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' A' ' 335' ' ' ARG . 24.1 mt-10 -65.69 -43.63 88.63 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.204 -0.935 . . . . 1.6100000000000001 109.093 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . 0.52 ' HE3' HD21 ' C' ' 344' ' ' LEU . 6.7 mtp -49.26 -57.73 6.28 Favored 'General case' 0 N--CA 1.489 1.5 0 CA-C-O 121.845 0.831 . . . . 0.62 109.549 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.598 ' CD1' ' CD1' ' B' ' 341' ' ' PHE . 8.2 m-85 -59.91 -36.15 76.4 Favored 'General case' 0 C--N 1.293 -1.851 0 CA-C-O 121.733 0.778 . . . . 1.28 109.315 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . 0.406 ' HB2' ' HA ' ' A' ' 339' ' ' GLU . 0.0 OUTLIER -56.4 -35.99 68.39 Favored 'General case' 0 C--N 1.293 -1.859 0 N-CA-C 109.109 -0.701 . . . . 2.3700000000000001 109.109 179.731 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . 0.443 ' HG2' ' SD ' ' C' ' 340' ' ' MET . 2.4 tp10 -70.46 -53.53 15.98 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.215 -0.928 . . . . 1.6200000000000001 108.841 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.797 ' HB3' HD12 ' D' ' 344' ' ' LEU . 1.9 mm? -57.18 -21.72 35.23 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.278 -0.889 . . . . 0.40000000000000002 108.679 179.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.522 ' ND2' ' CD2' ' B' ' 330' ' ' LEU . 1.1 t-20 -83.99 -32.9 24.72 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.532 -0.73 . . . . 1.77 109.484 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . 0.494 ' O ' ' HB3' ' A' ' 350' ' ' LEU . 4.4 tt0 -66.77 -38.84 87.37 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.314 -0.866 . . . . 1.8899999999999999 109.459 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.989 ' HA ' HD23 ' A' ' 350' ' ' LEU . . . -74.71 -52.77 10.7 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.173 -0.954 . . . . 0.28999999999999998 110.23 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.767 HD23 ' HB2' ' D' ' 347' ' ' ALA . 57.4 mt -51.82 -52.73 47.04 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.128 -0.982 . . . . 0.48999999999999999 108.664 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -59.73 -28.81 67.67 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.244 -0.91 . . . . 1.48 108.79 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 1.048 HD11 HD11 ' D' ' 350' ' ' LEU . 0.2 OUTLIER -69.32 -30.07 68.04 Favored 'General case' 0 C--N 1.31 -1.138 0 O-C-N 121.055 -1.028 . . . . 0.40999999999999998 109.092 179.805 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.569 ' HG3' HD22 ' D' ' 350' ' ' LEU . 13.1 tttt -66.61 -38.29 86.68 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 108.763 -0.829 . . . . 1.73 108.763 179.459 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -67.94 -31.3 70.95 Favored 'General case' 0 C--N 1.296 -1.734 0 C-N-CA 119.775 -0.77 . . . . 1.6499999999999999 109.133 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -83.79 -19.25 35.36 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.249 -0.907 . . . . 1.3 109.812 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.619 ' CD ' HD13 ' D' ' 350' ' ' LEU . 5.2 mt-30 -47.27 140.03 5.77 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.434 -0.792 . . . . 1.6399999999999999 109.535 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . 0.476 ' HB2' ' O ' ' A' ' 354' ' ' GLN . . . . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 117.992 -1.004 . . . . 3.1499999999999999 109.494 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.267 0 N-CA-C 109.553 -1.419 . . . . 1.5700000000000001 109.553 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -126.56 -170.74 2.26 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.284 -1.127 . . . . 2.1299999999999999 109.467 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.423 ' CZ ' ' HG3' ' A' ' 333' ' ' ARG . 5.8 m-85 -101.45 118.54 37.16 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.29 -0.881 . . . . 1.8600000000000001 109.537 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.496 ' O ' ' HA ' ' A' ' 331' ' ' GLN . 10.4 m-85 -112.99 153.55 27.88 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.278 -0.889 . . . . 1.5 109.387 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 1.085 HG22 HG22 ' A' ' 329' ' ' THR . 0.2 OUTLIER -117.73 137.06 52.95 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.201 -0.937 . . . . 0.48999999999999999 109.6 179.856 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.977 HD12 ' CE1' ' A' ' 338' ' ' PHE . 0.1 OUTLIER -116.76 83.32 1.95 Allowed 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.775 -0.824 . . . . 0.91000000000000003 108.775 179.563 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . 0.627 ' HG2' HG23 ' A' ' 329' ' ' THR . 35.6 mt-30 -77.12 112.24 13.56 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.251 -0.905 . . . . 2.0600000000000001 109.827 -179.316 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 4.5 mt -112.32 127.37 69.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.254 -0.904 . . . . 0.54000000000000004 109.381 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.586 ' HG3' ' CE1' ' A' ' 327' ' ' TYR . 5.7 ttp180 -85.78 110.32 19.27 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.225 -0.922 . . . . 3.29 109.425 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 156.24 -135.73 4.67 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.507 -1.437 . . . . 0.58999999999999997 109.507 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.438 ' O ' ' HG3' ' B' ' 339' ' ' GLU . 5.2 ttt180 -166.82 -52.25 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.273 -1.134 . . . . 2.04 109.265 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -68.97 -51.09 43.14 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.252 -0.905 . . . . 2.25 109.354 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -55.36 -42.77 74.33 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.274 -0.892 . . . . 1.95 109.225 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.876 ' CE1' HD12 ' A' ' 330' ' ' LEU . 94.6 t80 -57.75 -38.1 74.78 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.275 -0.891 . . . . 1.3600000000000001 109.063 179.64 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . 0.449 ' HA ' ' HB2' ' B' ' 342' ' ' ARG . 23.2 mt-10 -65.5 -44.22 87.69 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.269 -0.894 . . . . 1.6100000000000001 109.042 179.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . 0.474 ' HE3' HD21 ' D' ' 344' ' ' LEU . 7.0 mtp -49.48 -58.04 5.9 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.298 -0.876 . . . . 0.64000000000000001 108.999 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.598 ' CD1' ' CD1' ' A' ' 341' ' ' PHE . 11.8 m-85 -59.95 -33.11 71.48 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.43 -0.794 . . . . 1.3 109.081 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . 0.449 ' HB2' ' HA ' ' B' ' 339' ' ' GLU . 0.0 OUTLIER -58.94 -35.26 72.82 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.339 -0.85 . . . . 2.3700000000000001 109.248 179.855 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . 0.443 ' HG2' ' SD ' ' D' ' 340' ' ' MET . 2.4 tp10 -70.64 -54.14 13.1 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.241 -0.912 . . . . 1.6200000000000001 108.967 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.794 ' HB3' HD12 ' C' ' 344' ' ' LEU . 1.8 mm? -57.25 -20.72 29.41 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.504 -0.924 . . . . 0.44 108.504 179.306 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.561 ' ND2' ' CD2' ' A' ' 330' ' ' LEU . 1.1 m-20 -84.22 -33.56 24.1 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.511 -0.743 . . . . 1.77 109.289 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . 0.496 ' O ' ' HB3' ' B' ' 350' ' ' LEU . 4.4 tt0 -67.13 -38.76 86.12 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.295 -0.878 . . . . 1.8899999999999999 109.511 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 1.036 ' HA ' HD23 ' B' ' 350' ' ' LEU . . . -73.64 -55.0 6.84 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.308 -0.87 . . . . 0.29999999999999999 109.667 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.723 HD23 ' HB2' ' C' ' 347' ' ' ALA . 64.0 mt -50.14 -54.1 23.0 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.184 -0.948 . . . . 0.48999999999999999 109.18 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -58.9 -30.39 67.75 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.326 -0.859 . . . . 1.48 109.064 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 1.036 HD23 ' HA ' ' B' ' 347' ' ' ALA . 0.2 OUTLIER -67.19 -31.88 72.57 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.304 -0.873 . . . . 0.40999999999999998 108.938 179.841 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.607 ' HG3' HD22 ' C' ' 350' ' ' LEU . 13.2 tttt -65.19 -37.32 86.94 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.259 -0.901 . . . . 1.73 108.94 179.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -69.22 -30.44 68.6 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.394 -0.816 . . . . 1.6599999999999999 109.164 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -84.39 -18.7 35.23 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.364 -0.835 . . . . 1.3 109.393 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.625 ' CD ' HD13 ' C' ' 350' ' ' LEU . 6.2 mt-30 -48.67 141.11 7.52 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.275 -0.891 . . . . 1.6399999999999999 109.46 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . 0.468 ' HB2' ' O ' ' B' ' 354' ' ' GLN . . . . . . . . 0 N--CA 1.489 1.511 0 CA-C-O 118.05 -0.976 . . . . 3.1499999999999999 109.469 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.31 0 N-CA-C 109.577 -1.409 . . . . 1.5800000000000001 109.577 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -126.49 -170.61 2.23 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.3 -1.118 . . . . 2.1200000000000001 109.501 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.582 ' CZ ' ' HG3' ' D' ' 333' ' ' ARG . 5.7 m-85 -101.5 118.38 36.84 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.264 -0.897 . . . . 1.8700000000000001 109.51 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.569 ' HB3' ' CE1' ' D' ' 338' ' ' PHE . 10.6 m-85 -112.44 154.32 26.02 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.278 -0.889 . . . . 1.5 109.336 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 1.057 HG22 HG22 ' D' ' 329' ' ' THR . 0.3 OUTLIER -118.58 134.49 55.06 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.228 -0.92 . . . . 0.47999999999999998 109.731 -179.825 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.95 HD12 ' CE1' ' D' ' 338' ' ' PHE . 0.1 OUTLIER -114.79 84.65 2.11 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.362 -0.836 . . . . 0.92000000000000004 108.937 179.565 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . 0.673 ' HG2' HG23 ' D' ' 329' ' ' THR . 35.6 mt-30 -78.58 112.71 15.93 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.256 -0.903 . . . . 2.0499999999999998 109.755 -179.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 4.5 mt -112.87 127.36 70.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.317 -0.865 . . . . 0.53000000000000003 109.378 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . 0.572 ' HG3' ' CZ ' ' D' ' 327' ' ' TYR . 5.5 ttp180 -85.69 110.21 19.14 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.257 -0.902 . . . . 3.29 109.434 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 156.34 -135.68 4.63 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.559 -1.416 . . . . 0.58999999999999997 109.559 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.431 ' O ' ' HG3' ' C' ' 339' ' ' GLU . 5.2 ttt180 -166.82 -52.27 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.319 -1.106 . . . . 2.04 109.284 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -68.93 -51.27 41.63 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.298 -0.876 . . . . 2.25 109.24 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 4.8 mtm180 -55.34 -42.39 73.77 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.245 -0.909 . . . . 1.95 109.197 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.957 ' CE1' HD12 ' D' ' 330' ' ' LEU . 94.2 t80 -57.89 -38.27 75.47 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.298 -0.876 . . . . 1.3600000000000001 109.068 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . 0.442 ' HA ' ' HB2' ' C' ' 342' ' ' ARG . 23.3 mt-10 -65.42 -44.47 87.27 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.252 -0.905 . . . . 1.6200000000000001 109.024 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . 0.507 ' HE3' HD21 ' A' ' 344' ' ' LEU . 7.0 mtp -49.16 -58.15 5.48 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.377 -0.827 . . . . 0.64000000000000001 109.02 179.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.585 ' CD1' ' CD1' ' D' ' 341' ' ' PHE . 11.8 m-85 -59.77 -33.22 71.41 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.433 -0.792 . . . . 1.3 109.134 179.66 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . 0.442 ' HB2' ' HA ' ' C' ' 339' ' ' GLU . 0.0 OUTLIER -58.8 -35.41 72.79 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.348 -0.845 . . . . 2.3700000000000001 109.251 179.848 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . 0.442 ' HG2' ' SD ' ' A' ' 340' ' ' MET . 2.4 tp10 -70.55 -54.33 12.55 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.25 -0.906 . . . . 1.6299999999999999 108.869 179.539 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.794 HD12 ' HB3' ' B' ' 344' ' ' LEU . 1.9 mm? -56.63 -21.1 24.78 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.551 -0.907 . . . . 0.44 108.551 179.356 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . 0.553 ' ND2' ' CD2' ' D' ' 330' ' ' LEU . 1.0 OUTLIER -84.89 -32.79 22.99 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.438 -0.789 . . . . 1.77 109.382 -179.887 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . 0.494 ' O ' ' HB3' ' C' ' 350' ' ' LEU . 4.5 tt0 -67.51 -38.79 84.81 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.26 -0.9 . . . . 1.8999999999999999 109.449 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 1.014 ' HA ' HD23 ' C' ' 350' ' ' LEU . . . -73.6 -54.54 7.93 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.318 -0.864 . . . . 0.29999999999999999 109.596 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.699 HD23 ' HB2' ' B' ' 347' ' ' ALA . 63.1 mt -50.58 -54.2 24.48 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.086 -1.009 . . . . 0.48999999999999999 109.191 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -58.8 -30.14 67.38 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.342 -0.849 . . . . 1.48 109.119 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 1.022 HD11 HD11 ' B' ' 350' ' ' LEU . 0.2 OUTLIER -67.46 -31.89 72.36 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.337 -0.852 . . . . 0.40999999999999998 108.939 179.862 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . 0.636 ' HG3' HD22 ' B' ' 350' ' ' LEU . 13.1 tttt -65.06 -37.41 87.45 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.255 -0.903 . . . . 1.72 108.932 179.547 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -69.23 -30.39 68.53 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.33 -0.856 . . . . 1.6599999999999999 109.141 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -84.41 -18.47 35.94 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.316 -0.865 . . . . 1.29 109.437 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.666 ' CD ' HD13 ' B' ' 350' ' ' LEU . 6.3 mt-30 -48.94 141.31 7.81 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.222 -0.923 . . . . 1.6200000000000001 109.507 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . 0.479 ' HB2' ' O ' ' C' ' 354' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 117.993 -1.003 . . . . 3.1699999999999999 109.404 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.293 0 N-CA-C 109.546 -1.422 . . . . 1.5800000000000001 109.546 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -126.52 -170.64 2.24 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.206 -1.173 . . . . 2.1200000000000001 109.471 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.572 ' CZ ' ' HG3' ' C' ' 333' ' ' ARG . 5.7 m-85 -101.52 118.43 36.94 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.248 -0.907 . . . . 1.8700000000000001 109.529 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.55 ' HB3' ' CE1' ' C' ' 338' ' ' PHE . 10.5 m-85 -112.43 154.28 26.06 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.287 -0.883 . . . . 1.5 109.341 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 1.057 HG22 HG22 ' C' ' 329' ' ' THR . 0.3 OUTLIER -118.55 134.49 55.05 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.15 -0.969 . . . . 0.47999999999999998 109.732 -179.879 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.957 HD12 ' CE1' ' C' ' 338' ' ' PHE . 0.1 OUTLIER -114.79 84.67 2.11 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.36 -0.838 . . . . 0.92000000000000004 108.889 179.596 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . 0.669 ' HG2' HG23 ' C' ' 329' ' ' THR . 35.5 mt-30 -78.66 112.64 15.96 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.251 -0.906 . . . . 2.0499999999999998 109.721 -179.514 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 4.5 mt -112.75 127.41 70.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.286 -0.884 . . . . 0.54000000000000004 109.363 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . 0.582 ' HG3' ' CZ ' ' C' ' 327' ' ' TYR . 5.6 ttp180 -85.69 110.24 19.17 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.274 -0.891 . . . . 3.29 109.492 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 156.27 -135.67 4.63 Favored Glycine 0 N--CA 1.489 2.221 0 N-CA-C 109.583 -1.407 . . . . 0.58999999999999997 109.583 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.434 ' O ' ' HG3' ' D' ' 339' ' ' GLU . 5.2 ttt180 -166.77 -52.29 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.292 -1.123 . . . . 2.0499999999999998 109.336 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -68.92 -51.28 41.59 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.305 -0.872 . . . . 2.25 109.286 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 4.8 mtm180 -55.3 -42.41 73.62 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.217 -0.927 . . . . 1.95 109.209 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.95 ' CE1' HD12 ' C' ' 330' ' ' LEU . 94.3 t80 -57.96 -38.17 75.51 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.223 -0.923 . . . . 1.3600000000000001 109.104 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . 0.434 ' HG3' ' O ' ' D' ' 335' ' ' ARG . 23.2 mt-10 -65.48 -44.28 87.62 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.321 -0.862 . . . . 1.6200000000000001 109.047 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . 0.486 ' HE3' HD21 ' B' ' 344' ' ' LEU . 7.0 mtp -49.32 -58.0 5.85 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.335 -0.853 . . . . 0.64000000000000001 108.996 179.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.585 ' CD1' ' CD1' ' C' ' 341' ' ' PHE . 11.7 m-85 -59.92 -33.23 71.61 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.434 -0.792 . . . . 1.3 109.125 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . 0.431 ' HB2' ' HA ' ' D' ' 339' ' ' GLU . 0.0 OUTLIER -58.9 -35.34 72.88 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.351 -0.843 . . . . 2.3700000000000001 109.213 179.87 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . 0.438 ' HG2' ' SD ' ' B' ' 340' ' ' MET . 2.5 tp10 -70.49 -54.3 12.81 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.271 -0.893 . . . . 1.6299999999999999 108.875 179.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.797 HD12 ' HB3' ' A' ' 344' ' ' LEU . 1.9 mm? -57.0 -20.89 26.6 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.237 -0.914 . . . . 0.44 108.629 179.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . 0.547 ' ND2' ' CD2' ' C' ' 330' ' ' LEU . 1.0 OUTLIER -84.71 -33.02 23.23 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.515 -0.741 . . . . 1.77 109.37 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . 0.499 ' O ' ' HB3' ' D' ' 350' ' ' LEU . 4.4 tt0 -67.08 -38.88 86.5 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.275 -0.891 . . . . 1.8999999999999999 109.482 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 1.033 ' HA ' HD23 ' D' ' 350' ' ' LEU . . . -73.52 -54.99 6.93 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.342 -0.849 . . . . 0.29999999999999999 109.695 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.668 HD23 ' HB2' ' A' ' 347' ' ' ALA . 63.6 mt -50.23 -54.08 23.6 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.171 -0.956 . . . . 0.47999999999999998 109.182 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -58.91 -30.18 67.63 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.318 -0.864 . . . . 1.48 109.075 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 1.048 HD11 HD11 ' A' ' 350' ' ' LEU . 0.2 OUTLIER -67.18 -31.94 72.69 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.31 -0.869 . . . . 0.40000000000000002 108.95 179.839 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.648 ' HG3' HD22 ' A' ' 350' ' ' LEU . 13.1 tttt -65.29 -37.29 86.7 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.345 -0.847 . . . . 1.72 109.077 179.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -69.24 -30.09 68.16 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.361 -0.837 . . . . 1.6599999999999999 109.158 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -84.76 -18.79 33.98 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.356 -0.84 . . . . 1.29 109.44 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.672 ' CD ' HD13 ' A' ' 350' ' ' LEU . 6.4 mt-30 -48.97 141.53 7.61 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.205 -0.934 . . . . 1.6200000000000001 109.451 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . 0.479 ' HB2' ' O ' ' D' ' 354' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 117.989 -1.005 . . . . 3.1600000000000001 109.409 -179.963 . . . . . . . . 1 1 . 1 stop_ save_