data_nef_c34011_5lbj save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 5LBJ stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 MET start . . 2 A 2 THR middle . . 3 A 3 PHE middle . . 4 A 4 ALA middle . . 5 A 5 GLU middle . . 6 A 6 LEU middle . . 7 A 7 GLY middle . false 8 A 8 MET middle . . 9 A 9 ALA middle . . 10 A 10 PHE middle . . 11 A 11 TRP middle . . 12 A 12 HIS middle . . 13 A 13 ASP middle . . 14 A 14 LEU middle . . 15 A 15 ALA middle . . 16 A 16 ALA middle . . 17 A 17 PRO middle . false 18 A 18 VAL middle . . 19 A 19 ILE middle . . 20 A 20 ALA middle . . 21 A 21 GLY middle . false 22 A 22 ILE middle . . 23 A 23 LEU middle . . 24 A 24 ALA middle . . 25 A 25 SER middle . . 26 A 26 MET middle . . 27 A 27 ILE middle . . 28 A 28 VAL middle . . 29 A 29 ASN middle . . 30 A 30 TRP middle . . 31 A 31 LEU middle . . 32 A 32 ASN middle . . 33 A 33 LYS middle . . 34 A 34 ARG middle . . 35 A 35 LYS end . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 MET HA H 1 4.048 0.002 A 1 MET HBx H 1 1.792 0.003 A 1 MET HBy H 1 1.792 0.003 A 1 MET HGy H 1 2.253 0.005 A 1 MET HGx H 1 2.158 0.006 A 1 MET CB C 13 31.653 0.150 A 1 MET CE C 13 15.269 0.150 A 1 MET CG C 13 30.717 0.150 A 2 THR H H 1 7.638 0.003 A 2 THR HA H 1 4.275 0.002 A 2 THR HB H 1 4.092 0.003 A 2 THR CA C 13 59.877 0.150 A 2 THR CB C 13 71.769 0.150 A 3 PHE H H 1 7.142 0.001 A 3 PHE HA H 1 4.037 0.006 A 3 PHE HBy H 1 2.808 0.001 A 3 PHE HBx H 1 2.702 0.007 A 3 PHE HZ H 1 6.914 0.015 A 3 PHE CA C 13 60.210 0.150 A 3 PHE CB C 13 38.206 0.001 A 3 PHE CDx C 13 130.642 0.150 A 3 PHE CDy C 13 130.642 0.150 A 3 PHE CEx C 13 130.881 0.150 A 3 PHE CEy C 13 130.881 0.150 A 3 PHE CZ C 13 129.630 0.150 A 4 ALA H H 1 6.694 0.001 A 4 ALA HA H 1 3.760 0.007 A 4 ALA CA C 13 54.398 0.150 A 4 ALA CB C 13 17.233 0.150 A 5 GLU H H 1 6.956 0.001 A 5 GLU HA H 1 3.682 0.003 A 5 GLU HBy H 1 1.932 0.008 A 5 GLU HBx H 1 1.789 0.012 A 5 GLU HGy H 1 2.125 0.007 A 5 GLU HGx H 1 2.057 0.003 A 5 GLU CA C 13 58.218 0.150 A 5 GLU CB C 13 28.458 0.150 A 5 GLU CG C 13 33.074 0.150 A 6 LEU H H 1 7.276 0.001 A 6 LEU HA H 1 3.793 0.001 A 6 LEU HBy H 1 1.383 0.001 A 6 LEU HBx H 1 1.331 0.009 A 6 LEU HG H 1 1.289 0.022 A 6 LEU CA C 13 57.642 0.150 A 6 LEU CB C 13 41.377 0.150 A 6 LEU CDy C 13 23.252 0.150 A 6 LEU CDx C 13 22.823 0.150 A 6 LEU CG C 13 26.513 0.150 A 7 GLY H H 1 7.818 0.001 A 7 GLY HAx H 1 3.442 0.004 A 7 GLY HAy H 1 3.511 0.019 A 7 GLY CA C 13 46.642 0.150 A 8 MET H H 1 7.543 0.001 A 8 MET HA H 1 4.149 0.002 A 8 MET HBy H 1 1.988 0.004 A 8 MET HBx H 1 1.795 0.007 A 8 MET HGy H 1 2.376 0.004 A 8 MET HGx H 1 2.314 0.002 A 8 MET CA C 13 57.946 0.150 A 8 MET CB C 13 32.028 0.150 A 8 MET CE C 13 15.787 0.150 A 8 MET CG C 13 31.948 0.001 A 9 ALA H H 1 7.829 0.003 A 9 ALA HA H 1 3.787 0.003 A 9 ALA CA C 13 55.278 0.150 A 9 ALA CB C 13 16.842 0.150 A 10 PHE H H 1 8.176 0.015 A 10 PHE HA H 1 3.936 0.002 A 10 PHE HBy H 1 2.849 0.001 A 10 PHE HBx H 1 2.812 0.002 A 10 PHE HZ H 1 6.735 0.003 A 10 PHE CA C 13 60.851 0.150 A 10 PHE CB C 13 38.474 0.150 A 10 PHE CDx C 13 130.704 0.150 A 10 PHE CDy C 13 130.704 0.150 A 10 PHE CEx C 13 130.469 0.150 A 10 PHE CEy C 13 130.469 0.150 A 10 PHE CZ C 13 129.022 0.150 A 11 TRP H H 1 8.030 0.001 A 11 TRP HA H 1 3.989 0.001 A 11 TRP HBy H 1 3.056 0.002 A 11 TRP HBx H 1 3.012 0.002 A 11 TRP HD1 H 1 6.849 0.001 A 11 TRP HE1 H 1 8.665 0.001 A 11 TRP HE3 H 1 7.097 0.002 A 11 TRP HH2 H 1 6.790 0.015 A 11 TRP HZ2 H 1 7.003 0.015 A 11 TRP HZ3 H 1 6.625 0.015 A 11 TRP CA C 13 60.039 0.150 A 11 TRP CB C 13 28.530 0.001 A 11 TRP CD1 C 13 126.092 0.150 A 11 TRP CZ2 C 13 113.612 0.150 A 12 HIS H H 1 7.777 0.015 A 12 HIS HA H 1 3.766 0.007 A 12 HIS HBx H 1 3.018 0.001 A 12 HIS HBy H 1 3.018 0.001 A 12 HIS HD1 H 1 6.900 0.015 A 12 HIS HE1 H 1 8.003 0.015 A 12 HIS CA C 13 59.076 0.150 A 12 HIS CB C 13 27.220 0.150 A 12 HIS CD2 C 13 119.577 0.150 A 12 HIS CE1 C 13 134.812 0.150 A 13 ASP H H 1 7.910 0.001 A 13 ASP HA H 1 4.161 0.001 A 13 ASP HBy H 1 2.756 0.006 A 13 ASP HBx H 1 2.512 0.002 A 13 ASP CA C 13 54.539 0.150 A 13 ASP CB C 13 36.338 0.150 A 14 LEU H H 1 7.425 0.001 A 14 LEU HA H 1 3.788 0.001 A 14 LEU HBy H 1 1.260 0.005 A 14 LEU HBx H 1 1.069 0.007 A 14 LEU HG H 1 1.192 0.001 A 14 LEU CA C 13 56.572 0.150 A 14 LEU CB C 13 41.927 0.150 A 14 LEU CDx C 13 22.042 0.150 A 14 LEU CDy C 13 22.042 0.150 A 14 LEU CG C 13 26.414 0.150 A 15 ALA H H 1 7.245 0.003 A 15 ALA HA H 1 3.858 0.001 A 15 ALA CA C 13 52.740 0.150 A 15 ALA CB C 13 17.907 0.150 A 16 ALA H H 1 7.256 0.001 A 16 ALA HA H 1 3.750 0.002 A 16 ALA CA C 13 55.801 0.150 A 16 ALA CB C 13 14.994 0.150 A 17 PRO HA H 1 3.908 0.002 A 17 PRO HBy H 1 1.928 0.001 A 17 PRO HBx H 1 1.403 0.002 A 17 PRO HDx H 1 3.251 0.002 A 17 PRO HDy H 1 3.251 0.002 A 17 PRO HGy H 1 1.714 0.003 A 17 PRO HGx H 1 1.527 0.003 A 17 PRO CA C 13 65.410 0.150 A 17 PRO CB C 13 30.498 0.150 A 17 PRO CD C 13 49.717 0.150 A 17 PRO CG C 13 27.625 0.001 A 18 VAL H H 1 6.905 0.001 A 18 VAL HA H 1 3.395 0.001 A 18 VAL HB H 1 1.941 0.001 A 18 VAL CA C 13 65.393 0.150 A 18 VAL CB C 13 31.516 0.150 A 18 VAL CGy C 13 20.833 0.150 A 18 VAL CGx C 13 19.821 0.150 A 19 ILE H H 1 7.571 0.001 A 19 ILE HA H 1 3.338 0.002 A 19 ILE HB H 1 1.544 0.015 A 19 ILE HG1x H 1 0.872 0.011 A 19 ILE HG1y H 1 0.872 0.011 A 19 ILE CA C 13 64.307 0.150 A 19 ILE CB C 13 37.310 0.150 A 19 ILE CD1 C 13 11.118 0.150 A 19 ILE CG1 C 13 28.092 0.150 A 19 ILE CG2 C 13 16.094 0.150 A 20 ALA H H 1 8.166 0.015 A 20 ALA HA H 1 3.678 0.003 A 20 ALA CA C 13 55.192 0.150 A 20 ALA CB C 13 16.996 0.150 A 21 GLY H H 1 7.224 0.005 A 21 GLY HAx H 1 3.545 0.015 A 21 GLY HAy H 1 3.545 0.015 A 21 GLY CA C 13 46.314 0.150 A 22 ILE H H 1 7.933 0.002 A 22 ILE HA H 1 3.369 0.006 A 22 ILE HB H 1 1.740 0.008 A 22 ILE HG1x H 1 1.548 0.001 A 22 ILE HG1y H 1 1.548 0.001 A 22 ILE CA C 13 65.320 0.150 A 22 ILE CB C 13 37.653 0.150 A 22 ILE CG1 C 13 28.034 0.150 A 22 ILE CG2 C 13 15.877 0.150 A 23 LEU H H 1 8.244 0.001 A 23 LEU HA H 1 3.792 0.015 A 23 LEU HBx H 1 1.497 0.004 A 23 LEU HBy H 1 1.497 0.004 A 23 LEU HG H 1 1.221 0.015 A 23 LEU CA C 13 58.274 0.150 A 23 LEU CB C 13 41.101 0.150 A 23 LEU CDy C 13 23.651 0.064 A 23 LEU CDx C 13 23.620 0.150 A 23 LEU CG C 13 26.490 0.150 A 24 ALA H H 1 8.086 0.001 A 24 ALA HA H 1 3.723 0.002 A 24 ALA CA C 13 55.305 0.150 A 24 ALA CB C 13 16.842 0.150 A 25 SER H H 1 7.566 0.001 A 25 SER HA H 1 3.788 0.001 A 25 SER HBx H 1 3.665 0.003 A 25 SER HBy H 1 3.665 0.003 A 25 SER CA C 13 61.802 0.150 A 26 MET H H 1 7.828 0.002 A 26 MET HA H 1 3.872 0.003 A 26 MET HBx H 1 1.765 0.001 A 26 MET HBy H 1 2.141 0.004 A 26 MET HGy H 1 2.449 0.009 A 26 MET HGx H 1 2.212 0.007 A 26 MET CA C 13 58.743 0.150 A 26 MET CB C 13 32.002 0.150 A 26 MET CE C 13 15.631 0.150 A 26 MET CG C 13 31.904 0.001 A 27 ILE H H 1 7.937 0.002 A 27 ILE HA H 1 3.504 0.003 A 27 ILE HB H 1 1.733 0.012 A 27 ILE HG1x H 1 1.488 0.001 A 27 ILE HG1y H 1 1.488 0.001 A 27 ILE CA C 13 57.582 0.150 A 27 ILE CB C 13 37.912 0.150 A 27 ILE CG2 C 13 16.101 0.150 A 28 VAL H H 1 8.362 0.015 A 28 VAL HA H 1 3.316 0.003 A 28 VAL HB H 1 1.799 0.003 A 28 VAL CA C 13 67.094 0.150 A 28 VAL CB C 13 31.350 0.150 A 28 VAL CGy C 13 21.607 0.001 A 28 VAL CGx C 13 20.183 0.150 A 29 ASN H H 1 7.611 0.002 A 29 ASN HA H 1 4.090 0.015 A 29 ASN HBy H 1 2.690 0.015 A 29 ASN HBx H 1 2.346 0.006 A 29 ASN HD2y H 1 7.283 0.015 A 29 ASN HD2x H 1 5.863 0.015 A 29 ASN CA C 13 56.641 0.150 A 29 ASN CB C 13 38.806 0.150 A 30 TRP H H 1 7.881 0.001 A 30 TRP HA H 1 4.091 0.001 A 30 TRP HBy H 1 3.258 0.004 A 30 TRP HBx H 1 3.064 0.006 A 30 TRP HD1 H 1 6.730 0.001 A 30 TRP HE1 H 1 8.712 0.001 A 30 TRP HE3 H 1 7.210 0.006 A 30 TRP HH2 H 1 6.818 0.005 A 30 TRP HZ2 H 1 7.025 0.015 A 30 TRP HZ3 H 1 6.732 0.015 A 30 TRP CA C 13 60.365 0.150 A 30 TRP CB C 13 28.907 0.150 A 31 LEU H H 1 8.558 0.001 A 31 LEU HA H 1 3.508 0.015 A 31 LEU HBx H 1 1.650 0.002 A 31 LEU HBy H 1 1.650 0.002 A 31 LEU HG H 1 1.707 0.003 A 31 LEU CB C 13 41.925 0.150 A 31 LEU CDx C 13 24.414 0.150 A 31 LEU CDy C 13 24.414 0.150 A 31 LEU CG C 13 26.378 0.150 A 32 ASN H H 1 7.796 0.002 A 32 ASN HA H 1 4.169 0.001 A 32 ASN HBy H 1 2.591 0.010 A 32 ASN HBx H 1 2.401 0.005 A 32 ASN HD2y H 1 6.717 0.003 A 32 ASN HD2x H 1 5.792 0.001 A 32 ASN CA C 13 54.095 0.150 A 32 ASN CB C 13 37.884 0.150 A 33 LYS H H 1 7.105 0.001 A 33 LYS HA H 1 3.838 0.001 A 33 LYS HBx H 1 1.423 0.009 A 33 LYS HBy H 1 1.423 0.009 A 33 LYS HDx H 1 1.496 0.006 A 33 LYS HDy H 1 1.496 0.006 A 33 LYS HEx H 1 2.528 0.003 A 33 LYS HEy H 1 2.528 0.003 A 33 LYS HGx H 1 1.125 0.004 A 33 LYS HGy H 1 1.125 0.004 A 33 LYS HZ1 H 1 6.086 0.001 A 33 LYS HZ2 H 1 6.086 0.001 A 33 LYS HZ3 H 1 6.086 0.001 A 33 LYS CA C 13 55.980 0.150 A 33 LYS CB C 13 31.820 0.150 A 33 LYS CD C 13 26.462 0.150 A 33 LYS CE C 13 42.578 0.150 A 33 LYS CG C 13 24.047 0.150 A 34 ARG H H 1 7.313 0.001 A 34 ARG HA H 1 3.749 0.001 A 34 ARG HBy H 1 1.374 0.005 A 34 ARG HBx H 1 1.262 0.015 A 34 ARG HDx H 1 2.528 0.015 A 34 ARG HDy H 1 2.528 0.015 A 34 ARG HGx H 1 1.125 0.004 A 34 ARG HGy H 1 1.125 0.004 A 34 ARG CA C 13 56.647 0.150 A 34 ARG CB C 13 29.047 0.150 A 34 ARG CD C 13 42.578 0.150 A 34 ARG CG C 13 26.151 0.150 A 35 LYS H H 1 6.998 0.002 A 35 LYS HA H 1 3.994 0.003 A 35 LYS HBy H 1 1.567 0.008 A 35 LYS HBx H 1 1.409 0.006 A 35 LYS HDx H 1 1.250 0.017 A 35 LYS HDy H 1 1.250 0.017 A 35 LYS HEx H 1 2.474 0.005 A 35 LYS HEy H 1 2.474 0.005 A 35 LYS HGx H 1 1.023 0.011 A 35 LYS HGy H 1 1.023 0.011 A 35 LYS CA C 13 54.402 0.150 A 35 LYS CB C 13 31.870 0.150 A 35 LYS CD C 13 28.037 0.150 A 35 LYS CE C 13 42.353 0.150 A 35 LYS CG C 13 23.720 0.150 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 2 THR HA A 3 PHE H 1.0 0.0 2.84 2 2 A 2 THR HA A 4 ALA H 1.0 0.0 4.31 3 3 A 8 MET HA A 11 TRP H 1.0 0.0 4.10 4 4 A 8 MET HA A 11 TRP HD1 1.0 0.0 4.22 5 5 A 3 PHE H A 2 THR HB 1.0 0.0 3.59 6 6 A 2 THR HB A 5 GLU H 1.0 0.0 4.39 7 7 A 30 TRP HA A 30 TRP HD1 1.0 0.0 3.84 8 8 A 4 ALA H A 2 THR HB 1.0 0.0 3.41 9 9 A 1 MET HA A 2 THR H 1.0 0.0 2.99 10 10 A 3 PHE HA A 7 GLY H 1.0 0.0 4.44 11 11 A 3 PHE HA A 3 PHE HE% 1.0 0.0 4.26 12 12 A 3 PHE HA A 6 LEU H 1.0 0.0 3.83 13 13 A 3 PHE HA A 3 PHE HD% 1.0 0.0 3.64 14 14 A 11 TRP HA A 11 TRP HE3 1.0 0.0 3.45 15 15 A 11 TRP HD1 A 11 TRP HA 1.0 0.0 4.24 16 16 A 11 TRP HA A 10 PHE HD% 1.0 0.0 4.22 17 17 A 10 PHE HA A 13 ASP H 1.0 0.0 3.97 18 18 A 10 PHE HD% A 10 PHE HA 1.0 0.0 3.54 19 19 A 17 PRO HA A 21 GLY H 1.0 0.0 4.50 20 20 A 15 ALA HA A 18 VAL H 1.0 0.0 4.19 21 21 A 12 HIS HA A 15 ALA H 1.0 0.0 3.95 22 22 A 16 ALA HA A 20 ALA H 1.0 0.0 4.33 23 23 A 16 ALA HA A 19 ILE H 1.0 0.0 4.22 24 24 A 29 ASN HD2y A 25 SER HBx 1.0 0.0 5.27 25 24 A 25 SER HBy A 29 ASN HD2y 1.0 0.0 5.27 26 25 A 20 ALA HA A 24 ALA H 1.0 0.0 4.36 27 26 A 19 ILE HA A 23 LEU H 1.0 0.0 4.48 28 27 A 30 TRP H A 30 TRP HBy 1.0 0.0 3.82 29 28 A 30 TRP HE3 A 30 TRP HBy 1.0 0.0 4.08 30 29 A 30 TRP HE3 A 30 TRP HBx 1.0 0.0 4.08 31 30 A 11 TRP H A 11 TRP HBx 1.0 0.0 3.48 32 31 A 11 TRP HE3 A 11 TRP HBx 1.0 0.0 3.96 33 32 A 11 TRP HBx A 12 HIS H 1.0 0.0 3.81 34 33 A 13 ASP H A 12 HIS HBx 1.0 0.0 3.66 35 33 A 13 ASP H A 12 HIS HBy 1.0 0.0 3.66 36 34 A 12 HIS H A 12 HIS HBx 1.0 0.0 3.15 37 34 A 12 HIS H A 12 HIS HBy 1.0 0.0 3.15 38 35 A 11 TRP HBy A 12 HIS HD1 1.0 0.0 3.74 39 36 A 11 TRP H A 11 TRP HBy 1.0 0.0 3.33 40 37 A 11 TRP HD1 A 11 TRP HBy 1.0 0.0 3.64 41 38 A 11 TRP H A 10 PHE HBy 1.0 0.0 4.03 42 39 A 11 TRP H A 10 PHE HBx 1.0 0.0 4.03 43 40 A 13 ASP H A 13 ASP HBy 1.0 0.0 3.49 44 41 A 13 ASP HBy A 14 LEU H 1.0 0.0 4.03 45 42 A 3 PHE H A 3 PHE HBy 1.0 0.0 3.33 46 43 A 4 ALA H A 3 PHE HBy 1.0 0.0 4.02 47 44 A 30 TRP H A 29 ASN HBy 1.0 0.0 4.50 48 45 A 29 ASN H A 29 ASN HBy 1.0 0.0 3.98 49 46 A 32 ASN H A 32 ASN HBy 1.0 0.0 4.03 50 47 A 13 ASP H A 13 ASP HBx 1.0 0.0 3.79 51 48 A 26 MET H A 26 MET HGy 1.0 0.0 3.96 52 49 A 32 ASN H A 32 ASN HBx 1.0 0.0 4.03 53 50 A 8 MET H A 8 MET HGy 1.0 0.0 3.93 54 51 A 30 TRP H A 29 ASN HBx 1.0 0.0 4.50 55 52 A 29 ASN H A 29 ASN HBx 1.0 0.0 3.98 56 53 A 8 MET H A 8 MET HGx 1.0 0.0 3.93 57 54 A 26 MET H A 26 MET HGx 1.0 0.0 3.96 58 55 A 26 MET H A 26 MET HBx 1.0 0.0 3.57 59 56 A 26 MET HBx A 27 ILE H 1.0 0.0 3.96 60 57 A 5 GLU H A 5 GLU HGx 1.0 0.0 3.96 61 58 A 8 MET HBy A 9 ALA H 1.0 0.0 3.88 62 59 A 8 MET H A 8 MET HBy 1.0 0.0 3.31 63 60 A 19 ILE H A 18 VAL HB 1.0 0.0 3.53 64 61 A 18 VAL H A 18 VAL HB 1.0 0.0 3.27 65 62 A 2 THR H A 5 GLU HBy 1.0 0.0 3.64 66 63 A 5 GLU H A 5 GLU HBy 1.0 0.0 3.44 67 64 A 6 LEU H A 5 GLU HBy 1.0 0.0 3.94 68 65 A 28 VAL H A 28 VAL HB 1.0 0.0 3.30 69 66 A 2 THR H A 1 MET HBx 1.0 0.0 3.45 70 66 A 2 THR H A 1 MET HBy 1.0 0.0 3.45 71 67 A 6 LEU H A 5 GLU HBx 1.0 0.0 3.99 72 68 A 5 GLU H A 5 GLU HBx 1.0 0.0 3.71 73 69 A 9 ALA H A 8 MET HBx 1.0 0.0 3.91 74 70 A 26 MET H A 26 MET HBy 1.0 0.0 4.18 75 71 A 23 LEU H A 22 ILE HB 1.0 0.0 3.57 76 72 A 22 ILE HB A 22 ILE H 1.0 0.0 3.22 77 73 A 27 ILE H A 27 ILE HB 1.0 0.0 3.48 78 74 A 28 VAL H A 27 ILE HB 1.0 0.0 3.60 79 75 A 18 VAL H A 17 PRO HGx 1.0 0.0 4.47 80 76 A 30 TRP HZ3 A 31 LEU HG 1.0 0.0 4.58 81 77 A 30 TRP HE3 A 31 LEU HG 1.0 0.0 4.69 82 78 A 8 MET HE1 A 12 HIS HE1 1.0 0.0 4.51 83 79 A 31 LEU H A 31 LEU HBx 1.0 0.0 3.80 84 79 A 31 LEU H A 31 LEU HBy 1.0 0.0 3.80 85 80 A 20 ALA H A 19 ILE HB 1.0 0.0 3.47 86 81 A 22 ILE H A 22 ILE HG1x 1.0 0.0 3.48 87 81 A 22 ILE H A 22 ILE HG1y 1.0 0.0 3.48 88 82 A 19 ILE H A 19 ILE HB 1.0 0.0 3.32 89 83 A 18 VAL H A 17 PRO HGy 1.0 0.0 4.42 90 84 A 24 ALA H A 23 LEU HBx 1.0 0.0 3.61 91 84 A 24 ALA H A 23 LEU HBy 1.0 0.0 3.61 92 85 A 34 ARG H A 33 LYS HDx 1.0 0.0 4.21 93 85 A 33 LYS HDy A 34 ARG H 1.0 0.0 4.21 94 86 A 23 LEU H A 23 LEU HBx 1.0 0.0 3.15 95 86 A 23 LEU H A 23 LEU HBy 1.0 0.0 3.15 96 87 A 27 ILE H A 27 ILE HG1x 1.0 0.0 3.43 97 87 A 27 ILE H A 27 ILE HG1y 1.0 0.0 3.43 98 88 A 33 LYS H A 33 LYS HBx 1.0 0.0 3.79 99 88 A 33 LYS H A 33 LYS HBy 1.0 0.0 3.79 100 89 A 18 VAL H A 17 PRO HBy 1.0 0.0 4.18 101 90 A 7 GLY H A 6 LEU HBy 1.0 0.0 4.10 102 91 A 6 LEU H A 6 LEU HBy 1.0 0.0 3.22 103 92 A 34 ARG H A 34 ARG HBy 1.0 0.0 3.80 104 93 A 7 GLY H A 6 LEU HBx 1.0 0.0 3.92 105 94 A 6 LEU H A 6 LEU HG 1.0 0.0 4.67 106 95 A 14 LEU H A 14 LEU HBx 1.0 0.0 3.32 107 96 A 15 ALA H A 14 LEU HBx 1.0 0.0 3.92 108 97 A 35 LYS H A 35 LYS HDx 1.0 0.0 4.38 109 97 A 35 LYS H A 35 LYS HDy 1.0 0.0 4.38 110 98 A 23 LEU H A 23 LEU HG 1.0 0.0 4.40 111 99 A 24 ALA H A 23 LEU HG 1.0 0.0 3.82 112 100 A 9 ALA HB1 A 10 PHE H 1.0 0.0 3.10 113 101 A 13 ASP H A 9 ALA HB1 1.0 0.0 4.94 114 102 A 13 ASP H A 14 LEU HG 1.0 0.0 5.40 115 103 A 14 LEU H A 14 LEU HG 1.0 0.0 3.48 116 104 A 9 ALA H A 9 ALA HB1 1.0 0.0 2.77 117 105 A 23 LEU H A 24 ALA HB1 1.0 0.0 4.27 118 106 A 24 ALA H A 24 ALA HB1 1.0 0.0 2.77 119 107 A 22 ILE H A 24 ALA HB1 1.0 0.0 5.29 120 108 A 27 ILE H A 24 ALA HB1 1.0 0.0 5.50 121 109 A 24 ALA HB1 A 25 SER H 1.0 0.0 3.22 122 110 A 15 ALA H A 14 LEU HG 1.0 0.0 4.27 123 111 A 34 ARG H A 34 ARG HGx 1.0 0.0 3.82 124 111 A 34 ARG H A 34 ARG HGy 1.0 0.0 3.82 125 112 A 33 LYS HZ% A 33 LYS HGx 1.0 0.0 4.12 126 112 A 33 LYS HGy A 33 LYS HZ% 1.0 0.0 4.12 127 113 A 24 ALA H A 20 ALA HB1 1.0 0.0 4.80 128 114 A 20 ALA H A 20 ALA HB1 1.0 0.0 2.78 129 115 A 19 ILE H A 20 ALA HB1 1.0 0.0 4.27 130 116 A 21 GLY H A 20 ALA HB1 1.0 0.0 3.27 131 117 A 20 ALA H A 16 ALA HB1 1.0 0.0 5.03 132 118 A 16 ALA HB1 A 16 ALA H 1.0 0.0 2.77 133 119 A 18 VAL H A 16 ALA HB1 1.0 0.0 4.34 134 120 A 35 LYS H A 35 LYS HGx 1.0 0.0 3.82 135 120 A 35 LYS H A 35 LYS HGy 1.0 0.0 3.82 136 121 A 3 PHE H A 4 ALA HB1 1.0 0.0 4.41 137 122 A 5 GLU H A 4 ALA HB1 1.0 0.0 3.28 138 123 A 4 ALA H A 4 ALA HB1 1.0 0.0 2.73 139 124 A 3 PHE H A 2 THR HG21 1.0 0.0 3.89 140 125 A 5 GLU H A 2 THR HG21 1.0 0.0 4.16 141 126 A 4 ALA H A 2 THR HG21 1.0 0.0 4.19 142 127 A 19 ILE H A 19 ILE HG1x 1.0 0.0 3.87 143 127 A 19 ILE H A 19 ILE HG1y 1.0 0.0 3.87 144 128 A 14 LEU H A 15 ALA HB1 1.0 0.0 4.23 145 129 A 15 ALA H A 15 ALA HB1 1.0 0.0 2.80 146 130 A 11 TRP HE3 A 15 ALA HB1 1.0 0.0 4.27 147 131 A 12 HIS HD1 A 15 ALA HB1 1.0 0.0 4.32 148 132 A 28 VAL H A 28 VAL HG11 1.0 0.0 3.78 149 133 A 29 ASN H A 28 VAL HG11 1.0 0.0 4.14 150 134 A 19 ILE H A 18 VAL HG21 1.0 0.0 3.90 151 135 A 18 VAL H A 18 VAL HG21 1.0 0.0 3.05 152 136 A 27 ILE H A 27 ILE HG21 1.0 0.0 3.78 153 137 A 30 TRP HE3 A 27 ILE HG21 1.0 0.0 4.29 154 138 A 31 LEU H A 27 ILE HG21 1.0 0.0 4.41 155 139 A 28 VAL H A 27 ILE HG21 1.0 0.0 3.76 156 140 A 30 TRP HZ3 A 27 ILE HG21 1.0 0.0 4.29 157 141 A 19 ILE H A 18 VAL HG11 1.0 0.0 3.72 158 142 A 18 VAL H A 18 VAL HG11 1.0 0.0 3.76 159 143 A 28 VAL H A 28 VAL HG21 1.0 0.0 3.78 160 144 A 29 ASN H A 28 VAL HG21 1.0 0.0 4.14 161 145 A 20 ALA H A 19 ILE HG21 1.0 0.0 4.28 162 146 A 19 ILE H A 19 ILE HG21 1.0 0.0 3.93 163 147 A 23 LEU H A 19 ILE HG21 1.0 0.0 4.07 164 148 A 23 LEU H A 22 ILE HG21 1.0 0.0 4.32 165 149 A 22 ILE H A 22 ILE HG21 1.0 0.0 3.82 166 150 A 26 MET H A 22 ILE HG21 1.0 0.0 4.82 167 151 A 6 LEU H A 6 LEU HD11 1.0 0.0 4.33 168 152 A 3 PHE HD% A 6 LEU HD21 1.0 0.0 4.88 169 153 A 23 LEU H A 23 LEU HD11 1.0 0.0 5.04 170 154 A 23 LEU H A 23 LEU HD21 1.0 0.0 5.04 171 155 A 22 ILE H A 22 ILE HD11 1.0 0.0 3.65 172 156 A 27 ILE H A 27 ILE HD11 1.0 0.0 4.08 173 157 A 19 ILE H A 19 ILE HD11 1.0 0.0 4.01 174 158 A 14 LEU H A 14 LEU HD21 1.0 0.0 3.61 175 159 A 15 ALA H A 14 LEU HD11 1.0 0.0 4.34 176 160 A 15 ALA H A 14 LEU HD21 1.0 0.0 5.00 177 161 A 11 TRP HE3 A 14 LEU HD11 1.0 0.0 4.80 178 162 A 11 TRP HE3 A 14 LEU HD21 1.0 0.0 4.99 179 163 A 14 LEU HD21 A 10 PHE HZ 1.0 0.0 3.75 180 164 A 14 LEU HD21 A 10 PHE HE% 1.0 0.0 3.46 181 165 A 10 PHE HD% A 14 LEU HD21 1.0 0.0 3.66 182 166 A 30 TRP H A 31 LEU H 1.0 0.0 3.74 183 167 A 30 TRP HE3 A 31 LEU H 1.0 0.0 4.47 184 168 A 27 ILE H A 28 VAL H 1.0 0.0 3.43 185 169 A 24 ALA H A 23 LEU H 1.0 0.0 3.39 186 170 A 23 LEU H A 22 ILE H 1.0 0.0 3.37 187 171 A 23 LEU H A 25 SER H 1.0 0.0 4.51 188 172 A 10 PHE HD% A 10 PHE H 1.0 0.0 4.34 189 173 A 11 TRP H A 10 PHE H 1.0 0.0 3.30 190 174 A 20 ALA H A 23 LEU H 1.0 0.0 4.99 191 175 A 21 GLY H A 20 ALA H 1.0 0.0 3.42 192 176 A 18 VAL H A 20 ALA H 1.0 0.0 4.47 193 177 A 24 ALA H A 22 ILE H 1.0 0.0 4.25 194 178 A 24 ALA H A 26 MET H 1.0 0.0 4.43 195 179 A 24 ALA H A 25 SER H 1.0 0.0 3.30 196 180 A 11 TRP H A 13 ASP H 1.0 0.0 4.45 197 181 A 11 TRP H A 9 ALA H 1.0 0.0 4.46 198 182 A 11 TRP H A 12 HIS H 1.0 0.0 3.35 199 183 A 11 TRP H A 11 TRP HD1 1.0 0.0 3.76 200 184 A 11 TRP H A 10 PHE HD% 1.0 0.0 4.22 201 185 A 26 MET H A 27 ILE H 1.0 0.0 3.41 202 186 A 21 GLY H A 22 ILE H 1.0 0.0 3.55 203 187 A 13 ASP H A 12 HIS H 1.0 0.0 3.28 204 188 A 30 TRP HD1 A 30 TRP H 1.0 0.0 5.28 205 189 A 9 ALA H A 10 PHE H 1.0 0.0 3.19 206 190 A 32 ASN H A 31 LEU H 1.0 0.0 3.84 207 191 A 32 ASN H A 33 LYS H 1.0 0.0 3.77 208 192 A 12 HIS H A 10 PHE H 1.0 0.0 4.47 209 193 A 5 GLU H A 2 THR H 1.0 0.0 4.74 210 194 A 29 ASN H A 28 VAL H 1.0 0.0 3.64 211 195 A 30 TRP H A 29 ASN H 1.0 0.0 3.76 212 196 A 20 ALA H A 19 ILE H 1.0 0.0 3.40 213 197 A 18 VAL H A 19 ILE H 1.0 0.0 3.23 214 198 A 27 ILE H A 25 SER H 1.0 0.0 4.55 215 199 A 7 GLY H A 8 MET H 1.0 0.0 3.26 216 200 A 8 MET H A 9 ALA H 1.0 0.0 3.45 217 201 A 13 ASP H A 14 LEU H 1.0 0.0 3.26 218 202 A 29 ASN HD2y A 29 ASN H 1.0 0.0 4.95 219 203 A 7 GLY H A 6 LEU H 1.0 0.0 3.23 220 204 A 13 ASP H A 15 ALA H 1.0 0.0 4.29 221 205 A 15 ALA H A 14 LEU H 1.0 0.0 3.07 222 206 A 3 PHE H A 5 GLU H 1.0 0.0 4.40 223 207 A 3 PHE H A 3 PHE HD% 1.0 0.0 3.95 224 208 A 3 PHE H A 4 ALA H 1.0 0.0 3.18 225 209 A 34 ARG H A 33 LYS H 1.0 0.0 3.53 226 210 A 34 ARG H A 35 LYS H 1.0 0.0 3.61 227 211 A 5 GLU H A 6 LEU H 1.0 0.0 3.13 228 212 A 5 GLU H A 7 GLY H 1.0 0.0 4.51 229 213 A 3 PHE HE% A 3 PHE HZ 1.0 0.0 2.40 230 214 A 3 PHE HD% A 3 PHE HZ 1.0 0.0 3.98 231 215 A 11 TRP HD1 A 10 PHE HD% 1.0 0.0 4.35 232 216 A 4 ALA H A 6 LEU H 1.0 0.0 4.45 233 217 A 4 ALA H A 5 GLU H 1.0 0.0 3.13 234 218 A 10 PHE HZ A 10 PHE HE% 1.0 0.0 2.40 235 219 A 10 PHE HD% A 10 PHE HZ 1.0 0.0 3.88 236 220 A 31 LEU HG A 31 LEU H 1.0 0.0 4.17 237 221 A 31 LEU H A 28 VAL HA 1.0 0.0 4.25 238 222 A 31 LEU H A 30 TRP HBy 1.0 0.0 4.30 239 223 A 31 LEU H A 30 TRP HBx 1.0 0.0 4.30 240 224 A 31 LEU H A 34 ARG HGx 1.0 0.0 4.37 241 224 A 31 LEU H A 34 ARG HGy 1.0 0.0 4.37 242 225 A 28 VAL H A 25 SER HA 1.0 0.0 3.98 243 226 A 28 VAL H A 24 ALA HA 1.0 0.0 4.19 244 227 A 20 ALA HA A 23 LEU H 1.0 0.0 3.94 245 228 A 10 PHE H A 7 GLY HAx 1.0 0.0 4.23 246 229 A 10 PHE H A 6 LEU HA 1.0 0.0 4.07 247 230 A 10 PHE H A 10 PHE HBy 1.0 0.0 3.27 248 231 A 10 PHE H A 10 PHE HBx 1.0 0.0 3.27 249 232 A 10 PHE H A 7 GLY HAy 1.0 0.0 5.17 250 233 A 20 ALA H A 21 GLY HAx 1.0 0.0 5.50 251 233 A 20 ALA H A 21 GLY HAy 1.0 0.0 5.50 252 234 A 24 ALA H A 21 GLY HAx 1.0 0.0 4.17 253 234 A 24 ALA H A 21 GLY HAy 1.0 0.0 4.17 254 235 A 24 ALA H A 22 ILE HG21 1.0 0.0 5.05 255 236 A 24 ALA H A 23 LEU HD11 1.0 0.0 5.50 256 237 A 24 ALA H A 23 LEU HD21 1.0 0.0 5.50 257 238 A 11 TRP H A 9 ALA HA 1.0 0.0 5.02 258 239 A 11 TRP H A 7 GLY HAx 1.0 0.0 4.41 259 240 A 27 ILE H A 24 ALA HA 1.0 0.0 3.97 260 241 A 27 ILE H A 23 LEU HA 1.0 0.0 4.90 261 242 A 27 ILE H A 25 SER HA 1.0 0.0 5.33 262 243 A 22 ILE H A 18 VAL HG11 1.0 0.0 4.61 263 244 A 13 ASP H A 9 ALA HA 1.0 0.0 4.14 264 245 A 30 TRP H A 27 ILE HA 1.0 0.0 4.02 265 246 A 30 TRP H A 30 TRP HBx 1.0 0.0 3.82 266 247 A 9 ALA H A 9 ALA HA 1.0 0.0 2.88 267 248 A 26 MET H A 25 SER HBx 1.0 0.0 4.18 268 248 A 25 SER HBy A 26 MET H 1.0 0.0 4.18 269 249 A 32 ASN H A 28 VAL HA 1.0 0.0 4.47 270 250 A 32 ASN H A 31 LEU HBx 1.0 0.0 4.35 271 250 A 32 ASN H A 31 LEU HBy 1.0 0.0 4.35 272 251 A 32 ASN H A 31 LEU HD11 1.0 0.0 5.50 273 252 A 32 ASN H A 31 LEU HD21 1.0 0.0 5.50 274 253 A 2 THR H A 2 THR HG21 1.0 0.0 3.61 275 254 A 29 ASN H A 26 MET HA 1.0 0.0 4.30 276 255 A 29 ASN H A 25 SER HA 1.0 0.0 4.16 277 256 A 15 ALA HA A 19 ILE H 1.0 0.0 4.40 278 257 A 25 SER H A 25 SER HBx 1.0 0.0 3.61 279 257 A 25 SER HBy A 25 SER H 1.0 0.0 3.61 280 258 A 25 SER H A 22 ILE HA 1.0 0.0 4.52 281 259 A 19 ILE H A 15 ALA HB1 1.0 0.0 4.27 282 260 A 8 MET H A 5 GLU HA 1.0 0.0 4.26 283 261 A 8 MET H A 8 MET HBx 1.0 0.0 3.75 284 262 A 11 TRP HA A 14 LEU H 1.0 0.0 4.15 285 263 A 10 PHE HA A 14 LEU H 1.0 0.0 4.47 286 264 A 14 LEU H A 13 ASP HBx 1.0 0.0 4.29 287 265 A 14 LEU H A 14 LEU HBy 1.0 0.0 3.68 288 266 A 34 ARG H A 33 LYS HBx 1.0 0.0 4.31 289 266 A 34 ARG H A 33 LYS HBy 1.0 0.0 4.31 290 267 A 34 ARG H A 34 ARG HBx 1.0 0.0 3.80 291 268 A 6 LEU H A 6 LEU HBx 1.0 0.0 3.37 292 269 A 6 LEU H A 6 LEU HD21 1.0 0.0 4.33 293 270 A 16 ALA H A 17 PRO HDx 1.0 0.0 3.34 294 270 A 16 ALA H A 17 PRO HDy 1.0 0.0 3.34 295 271 A 16 ALA H A 13 ASP HA 1.0 0.0 4.21 296 272 A 11 TRP HA A 15 ALA H 1.0 0.0 4.22 297 273 A 21 GLY H A 18 VAL HA 1.0 0.0 4.49 298 274 A 30 TRP HE3 A 27 ILE HA 1.0 0.0 3.70 299 275 A 3 PHE H A 3 PHE HBx 1.0 0.0 3.41 300 276 A 30 TRP HA A 33 LYS H 1.0 0.0 4.46 301 277 A 33 LYS H A 33 LYS HDx 1.0 0.0 4.32 302 277 A 33 LYS HDy A 33 LYS H 1.0 0.0 4.32 303 278 A 33 LYS H A 33 LYS HGx 1.0 0.0 4.25 304 278 A 33 LYS H A 33 LYS HGy 1.0 0.0 4.25 305 279 A 33 LYS H A 34 ARG HGx 1.0 0.0 4.82 306 279 A 33 LYS H A 34 ARG HGy 1.0 0.0 4.82 307 280 A 33 LYS H A 35 LYS HDx 1.0 0.0 5.31 308 280 A 33 LYS H A 35 LYS HDy 1.0 0.0 5.31 309 281 A 11 TRP HE3 A 12 HIS HA 1.0 0.0 5.50 310 282 A 33 LYS H A 34 ARG HA 1.0 0.0 5.50 311 283 A 5 GLU H A 5 GLU HGy 1.0 0.0 3.96 312 284 A 5 GLU H A 3 PHE HA 1.0 0.0 5.12 313 285 A 18 VAL H A 17 PRO HDx 1.0 0.0 3.66 314 285 A 18 VAL H A 17 PRO HDy 1.0 0.0 3.66 315 286 A 18 VAL H A 15 ALA HB1 1.0 0.0 5.19 316 287 A 12 HIS HA A 12 HIS HD1 1.0 0.0 3.79 317 288 A 3 PHE HD% A 4 ALA HA 1.0 0.0 4.77 318 289 A 11 TRP HD1 A 11 TRP HBx 1.0 0.0 3.79 319 290 A 3 PHE HD% A 6 LEU HD11 1.0 0.0 4.88 320 291 A 30 TRP HD1 A 31 LEU HA 1.0 0.0 5.03 321 292 A 30 TRP HZ3 A 27 ILE HA 1.0 0.0 5.25 322 293 A 4 ALA H A 3 PHE HBx 1.0 0.0 4.01 323 294 A 2 THR HA A 2 THR HB 1.0 0.0 3.00 324 295 A 2 THR HA A 1 MET HA 1.0 0.0 4.74 325 296 A 2 THR HA A 3 PHE HA 1.0 0.0 5.07 326 297 A 2 THR HA A 2 THR HG21 1.0 0.0 3.13 327 298 A 8 MET HA A 8 MET HGy 1.0 0.0 3.89 328 299 A 8 MET HA A 11 TRP HBy 1.0 0.0 3.86 329 300 A 2 THR HB A 3 PHE HA 1.0 0.0 4.90 330 301 A 3 PHE HA A 6 LEU HBy 1.0 0.0 3.89 331 302 A 3 PHE HA A 6 LEU HBx 1.0 0.0 3.84 332 303 A 11 TRP HA A 12 HIS HA 1.0 0.0 4.98 333 304 A 35 LYS HA A 35 LYS HDx 1.0 0.0 4.52 334 304 A 35 LYS HDy A 35 LYS HA 1.0 0.0 4.52 335 305 A 10 PHE HA A 9 ALA HA 1.0 0.0 4.89 336 306 A 33 LYS HA A 35 LYS HDx 1.0 0.0 4.00 337 306 A 35 LYS HDy A 33 LYS HA 1.0 0.0 4.00 338 307 A 25 SER HA A 25 SER HBx 1.0 0.0 2.66 339 307 A 25 SER HBy A 25 SER HA 1.0 0.0 2.66 340 308 A 17 PRO HGx A 14 LEU HA 1.0 0.0 4.47 341 309 A 16 ALA HA A 20 ALA HB1 1.0 0.0 4.37 342 310 A 15 ALA HA A 16 ALA HA 1.0 0.0 5.45 343 311 A 34 ARG HA A 33 LYS HA 1.0 0.0 5.50 344 312 A 34 ARG HA A 33 LYS HEx 1.0 0.0 5.21 345 312 A 34 ARG HA A 33 LYS HEy 1.0 0.0 5.21 346 313 A 34 ARG HA A 34 ARG HDx 1.0 0.0 5.40 347 313 A 34 ARG HA A 34 ARG HDy 1.0 0.0 5.40 348 314 A 20 ALA HA A 23 LEU HG 1.0 0.0 4.61 349 315 A 20 ALA HA A 24 ALA HB1 1.0 0.0 5.17 350 316 A 24 ALA HB1 A 25 SER HBx 1.0 0.0 5.41 351 316 A 25 SER HBy A 24 ALA HB1 1.0 0.0 5.41 352 317 A 19 ILE HA A 18 VAL HA 1.0 0.0 4.97 353 318 A 23 LEU HA A 22 ILE HA 1.0 0.0 4.81 354 319 A 15 ALA HA A 17 PRO HDx 1.0 0.0 4.42 355 319 A 15 ALA HA A 17 PRO HDy 1.0 0.0 4.42 356 320 A 14 LEU HA A 17 PRO HDx 1.0 0.0 4.28 357 320 A 17 PRO HDy A 14 LEU HA 1.0 0.0 4.28 358 321 A 8 MET HA A 11 TRP HBx 1.0 0.0 4.04 359 322 A 9 ALA HA A 12 HIS HBx 1.0 0.0 3.44 360 322 A 12 HIS HBy A 9 ALA HA 1.0 0.0 3.44 361 323 A 10 PHE HA A 13 ASP HBy 1.0 0.0 3.91 362 324 A 26 MET HA A 29 ASN HBy 1.0 0.0 4.28 363 325 A 29 ASN HA A 32 ASN HBy 1.0 0.0 4.56 364 326 A 33 LYS HEy A 33 LYS HGx 1.0 0.0 3.65 365 326 A 33 LYS HEx A 33 LYS HGx 1.0 0.0 3.65 366 326 A 33 LYS HGy A 33 LYS HEx 1.0 0.0 3.65 367 326 A 33 LYS HGy A 33 LYS HEy 1.0 0.0 3.65 368 327 A 10 PHE HA A 13 ASP HBx 1.0 0.0 4.28 369 328 A 35 LYS HEy A 35 LYS HGx 1.0 0.0 4.07 370 328 A 35 LYS HEx A 35 LYS HGx 1.0 0.0 4.07 371 328 A 35 LYS HGy A 35 LYS HEx 1.0 0.0 4.07 372 328 A 35 LYS HGy A 35 LYS HEy 1.0 0.0 4.07 373 329 A 26 MET HA A 26 MET HGy 1.0 0.0 3.81 374 330 A 22 ILE HG21 A 26 MET HGy 1.0 0.0 4.13 375 331 A 23 LEU HA A 26 MET HGy 1.0 0.0 4.74 376 332 A 26 MET HA A 29 ASN HBx 1.0 0.0 4.28 377 333 A 8 MET HA A 8 MET HGx 1.0 0.0 3.89 378 334 A 8 MET HE1 A 8 MET HGx 1.0 0.0 4.55 379 335 A 1 MET HE1 A 1 MET HGy 1.0 0.0 4.36 380 336 A 22 ILE HG21 A 26 MET HGx 1.0 0.0 4.13 381 337 A 26 MET HA A 26 MET HGx 1.0 0.0 3.81 382 338 A 26 MET HE1 A 26 MET HGx 1.0 0.0 4.57 383 339 A 23 LEU HA A 26 MET HGx 1.0 0.0 4.74 384 340 A 1 MET HE1 A 1 MET HGx 1.0 0.0 4.36 385 341 A 26 MET HBx A 26 MET HE1 1.0 0.0 4.67 386 342 A 26 MET HBx A 23 LEU HA 1.0 0.0 3.61 387 343 A 26 MET HBx A 22 ILE HG21 1.0 0.0 5.50 388 344 A 5 GLU HA A 5 GLU HGy 1.0 0.0 3.82 389 345 A 5 GLU HA A 5 GLU HGx 1.0 0.0 3.82 390 346 A 8 MET HBy A 5 GLU HA 1.0 0.0 4.58 391 347 A 8 MET HBy A 8 MET HE1 1.0 0.0 4.32 392 348 A 15 ALA HA A 18 VAL HB 1.0 0.0 3.78 393 349 A 28 VAL HB A 25 SER HA 1.0 0.0 3.32 394 350 A 1 MET HE1 A 1 MET HBx 1.0 0.0 3.40 395 350 A 1 MET HBy A 1 MET HE1 1.0 0.0 3.40 396 351 A 19 ILE HA A 22 ILE HB 1.0 0.0 3.38 397 352 A 27 ILE HB A 24 ALA HB1 1.0 0.0 4.63 398 353 A 22 ILE HB A 22 ILE HD11 1.0 0.0 3.33 399 354 A 27 ILE HB A 27 ILE HD11 1.0 0.0 3.61 400 355 A 27 ILE HB A 24 ALA HA 1.0 0.0 3.48 401 356 A 31 LEU HG A 31 LEU HA 1.0 0.0 4.16 402 357 A 17 PRO HGx A 16 ALA HB1 1.0 0.0 4.36 403 358 A 31 LEU HG A 34 ARG HGx 1.0 0.0 4.07 404 358 A 31 LEU HG A 34 ARG HGy 1.0 0.0 4.07 405 359 A 8 MET HE1 A 4 ALA HB1 1.0 0.0 4.60 406 360 A 23 LEU HA A 26 MET HE1 1.0 0.0 3.99 407 361 A 27 ILE HG21 A 31 LEU HBx 1.0 0.0 4.07 408 361 A 31 LEU HBy A 27 ILE HG21 1.0 0.0 4.07 409 362 A 1 MET HA A 1 MET HE1 1.0 0.0 4.25 410 363 A 28 VAL HA A 31 LEU HBx 1.0 0.0 3.76 411 363 A 31 LEU HBy A 28 VAL HA 1.0 0.0 3.76 412 364 A 22 ILE HA A 22 ILE HG1x 1.0 0.0 3.51 413 364 A 22 ILE HG1y A 22 ILE HA 1.0 0.0 3.51 414 365 A 16 ALA HA A 19 ILE HB 1.0 0.0 3.85 415 366 A 19 ILE HB A 20 ALA HB1 1.0 0.0 4.08 416 367 A 19 ILE HB A 15 ALA HB1 1.0 0.0 4.63 417 368 A 22 ILE HG21 A 22 ILE HG1x 1.0 0.0 3.31 418 368 A 22 ILE HG1y A 22 ILE HG21 1.0 0.0 3.31 419 369 A 33 LYS HA A 33 LYS HDx 1.0 0.0 3.95 420 369 A 33 LYS HDy A 33 LYS HA 1.0 0.0 3.95 421 370 A 20 ALA HA A 23 LEU HBx 1.0 0.0 3.61 422 370 A 20 ALA HA A 23 LEU HBy 1.0 0.0 3.61 423 371 A 24 ALA HA A 23 LEU HBx 1.0 0.0 4.66 424 371 A 23 LEU HBy A 24 ALA HA 1.0 0.0 4.66 425 372 A 24 ALA HA A 27 ILE HG1x 1.0 0.0 4.86 426 372 A 27 ILE HG1y A 24 ALA HA 1.0 0.0 4.86 427 373 A 27 ILE HG21 A 27 ILE HG1x 1.0 0.0 3.63 428 373 A 27 ILE HG1y A 27 ILE HG21 1.0 0.0 3.63 429 374 A 19 ILE HG21 A 23 LEU HBx 1.0 0.0 3.45 430 374 A 23 LEU HBy A 19 ILE HG21 1.0 0.0 3.45 431 375 A 23 LEU HD11 A 23 LEU HBx 1.0 0.0 3.37 432 375 A 23 LEU HBy A 23 LEU HD11 1.0 0.0 3.37 433 376 A 23 LEU HBx A 23 LEU HD21 1.0 0.0 3.37 434 376 A 23 LEU HBy A 23 LEU HD21 1.0 0.0 3.37 435 377 A 27 ILE HA A 27 ILE HG1x 1.0 0.0 3.54 436 377 A 27 ILE HG1y A 27 ILE HA 1.0 0.0 3.54 437 378 A 33 LYS HBx A 33 LYS HDx 1.0 0.0 2.86 438 378 A 33 LYS HBy A 33 LYS HDx 1.0 0.0 2.86 439 378 A 33 LYS HDy A 33 LYS HBx 1.0 0.0 2.86 440 378 A 33 LYS HDy A 33 LYS HBy 1.0 0.0 2.86 441 379 A 17 PRO HBy A 18 VAL HG21 1.0 0.0 4.21 442 380 A 11 TRP HA A 14 LEU HBx 1.0 0.0 3.96 443 381 A 23 LEU HG A 23 LEU HA 1.0 0.0 3.58 444 382 A 23 LEU HG A 23 LEU HBx 1.0 0.0 2.85 445 382 A 23 LEU HBy A 23 LEU HG 1.0 0.0 2.85 446 383 A 11 TRP HA A 14 LEU HG 1.0 0.0 4.39 447 384 A 10 PHE HA A 9 ALA HB1 1.0 0.0 4.10 448 385 A 9 ALA HB1 A 12 HIS HBx 1.0 0.0 4.32 449 385 A 12 HIS HBy A 9 ALA HB1 1.0 0.0 4.32 450 386 A 24 ALA HB1 A 21 GLY HAx 1.0 0.0 3.22 451 386 A 24 ALA HB1 A 21 GLY HAy 1.0 0.0 3.22 452 387 A 14 LEU HG A 18 VAL HG21 1.0 0.0 4.37 453 388 A 31 LEU HBx A 34 ARG HGx 1.0 0.0 3.78 454 388 A 31 LEU HBy A 34 ARG HGx 1.0 0.0 3.78 455 388 A 34 ARG HGy A 31 LEU HBx 1.0 0.0 3.78 456 388 A 31 LEU HBy A 34 ARG HGy 1.0 0.0 3.78 457 389 A 33 LYS HA A 33 LYS HGx 1.0 0.0 3.82 458 389 A 33 LYS HGy A 33 LYS HA 1.0 0.0 3.82 459 390 A 31 LEU HA A 34 ARG HGx 1.0 0.0 3.50 460 390 A 34 ARG HGy A 31 LEU HA 1.0 0.0 3.50 461 391 A 30 TRP HA A 33 LYS HGx 1.0 0.0 5.31 462 391 A 30 TRP HA A 33 LYS HGy 1.0 0.0 5.31 463 392 A 30 TRP HA A 34 ARG HGx 1.0 0.0 5.50 464 392 A 30 TRP HA A 34 ARG HGy 1.0 0.0 5.50 465 393 A 34 ARG HA A 34 ARG HGx 1.0 0.0 3.71 466 393 A 34 ARG HGy A 34 ARG HA 1.0 0.0 3.71 467 394 A 20 ALA HB1 A 21 GLY HAx 1.0 0.0 3.87 468 394 A 20 ALA HB1 A 21 GLY HAy 1.0 0.0 3.87 469 395 A 20 ALA HB1 A 19 ILE HG21 1.0 0.0 4.29 470 396 A 17 PRO HA A 20 ALA HB1 1.0 0.0 3.00 471 397 A 17 PRO HGy A 14 LEU HBy 1.0 0.0 4.45 472 398 A 11 TRP HA A 14 LEU HBy 1.0 0.0 4.99 473 399 A 17 PRO HA A 16 ALA HB1 1.0 0.0 4.03 474 400 A 16 ALA HB1 A 15 ALA HB1 1.0 0.0 4.19 475 401 A 16 ALA HB1 A 13 ASP HA 1.0 0.0 3.71 476 402 A 16 ALA HB1 A 17 PRO HDx 1.0 0.0 2.95 477 402 A 16 ALA HB1 A 17 PRO HDy 1.0 0.0 2.95 478 403 A 35 LYS HA A 35 LYS HGx 1.0 0.0 4.06 479 403 A 35 LYS HGy A 35 LYS HA 1.0 0.0 4.06 480 404 A 2 THR HB A 4 ALA HB1 1.0 0.0 4.27 481 405 A 4 ALA HB1 A 5 GLU HA 1.0 0.0 4.34 482 406 A 4 ALA HB1 A 2 THR HG21 1.0 0.0 3.82 483 407 A 1 MET HA A 2 THR HG21 1.0 0.0 4.81 484 408 A 2 THR HG21 A 1 MET HBx 1.0 0.0 5.50 485 408 A 1 MET HBy A 2 THR HG21 1.0 0.0 5.50 486 409 A 5 GLU HBx A 2 THR HG21 1.0 0.0 5.50 487 410 A 18 VAL HG21 A 19 ILE HG1x 1.0 0.0 4.62 488 410 A 19 ILE HG1y A 18 VAL HG21 1.0 0.0 4.62 489 411 A 19 ILE HA A 19 ILE HG1x 1.0 0.0 3.55 490 411 A 19 ILE HA A 19 ILE HG1y 1.0 0.0 3.55 491 412 A 19 ILE HG21 A 19 ILE HG1x 1.0 0.0 3.32 492 412 A 19 ILE HG1y A 19 ILE HG21 1.0 0.0 3.32 493 413 A 11 TRP HA A 15 ALA HB1 1.0 0.0 4.15 494 414 A 12 HIS HA A 15 ALA HB1 1.0 0.0 3.49 495 415 A 18 VAL HB A 15 ALA HB1 1.0 0.0 4.21 496 416 A 15 ALA HB1 A 18 VAL HG21 1.0 0.0 4.02 497 417 A 15 ALA HB1 A 18 VAL HG11 1.0 0.0 4.08 498 418 A 15 ALA HB1 A 19 ILE HD11 1.0 0.0 3.26 499 419 A 15 ALA HB1 A 14 LEU HD11 1.0 0.0 4.44 500 420 A 25 SER HA A 28 VAL HG11 1.0 0.0 4.29 501 421 A 28 VAL HA A 28 VAL HG11 1.0 0.0 3.02 502 422 A 15 ALA HA A 18 VAL HG21 1.0 0.0 3.57 503 423 A 18 VAL HG21 A 18 VAL HA 1.0 0.0 2.81 504 424 A 18 VAL HG21 A 17 PRO HDx 1.0 0.0 4.34 505 424 A 18 VAL HG21 A 17 PRO HDy 1.0 0.0 4.34 506 425 A 18 VAL HG21 A 14 LEU HD11 1.0 0.0 4.02 507 426 A 27 ILE HG21 A 24 ALA HA 1.0 0.0 4.68 508 427 A 27 ILE HG21 A 27 ILE HA 1.0 0.0 3.12 509 428 A 27 ILE HG21 A 28 VAL HA 1.0 0.0 3.77 510 429 A 15 ALA HA A 18 VAL HG11 1.0 0.0 4.17 511 430 A 18 VAL HG11 A 18 VAL HA 1.0 0.0 2.95 512 431 A 18 VAL HG11 A 22 ILE HG1x 1.0 0.0 4.46 513 431 A 22 ILE HG1y A 18 VAL HG11 1.0 0.0 4.46 514 432 A 29 ASN HA A 28 VAL HG21 1.0 0.0 5.50 515 433 A 25 SER HA A 28 VAL HG21 1.0 0.0 4.29 516 434 A 28 VAL HA A 28 VAL HG21 1.0 0.0 3.02 517 435 A 18 VAL HG11 A 14 LEU HD11 1.0 0.0 4.02 518 436 A 15 ALA HB1 A 19 ILE HG21 1.0 0.0 4.85 519 437 A 31 LEU HA A 31 LEU HD11 1.0 0.0 3.74 520 438 A 31 LEU HA A 31 LEU HD21 1.0 0.0 3.74 521 439 A 20 ALA HA A 19 ILE HG21 1.0 0.0 3.97 522 440 A 22 ILE HG21 A 25 SER HBx 1.0 0.0 4.36 523 440 A 25 SER HBy A 22 ILE HG21 1.0 0.0 4.36 524 441 A 19 ILE HA A 19 ILE HG21 1.0 0.0 2.93 525 442 A 31 LEU HD11 A 31 LEU HBx 1.0 0.0 3.31 526 442 A 31 LEU HBy A 31 LEU HD11 1.0 0.0 3.31 527 443 A 31 LEU HBx A 31 LEU HD21 1.0 0.0 3.31 528 443 A 31 LEU HBy A 31 LEU HD21 1.0 0.0 3.31 529 444 A 22 ILE HG21 A 23 LEU HA 1.0 0.0 3.88 530 445 A 22 ILE HG21 A 22 ILE HA 1.0 0.0 3.02 531 446 A 6 LEU HBx A 6 LEU HD11 1.0 0.0 3.28 532 447 A 3 PHE HA A 6 LEU HD11 1.0 0.0 4.48 533 448 A 6 LEU HBy A 6 LEU HD11 1.0 0.0 3.50 534 449 A 3 PHE HA A 6 LEU HD21 1.0 0.0 4.48 535 450 A 6 LEU HBy A 6 LEU HD21 1.0 0.0 3.50 536 451 A 6 LEU HBx A 6 LEU HD21 1.0 0.0 3.28 537 452 A 27 ILE HD11 A 27 ILE HA 1.0 0.0 3.97 538 453 A 27 ILE HD11 A 24 ALA HA 1.0 0.0 3.53 539 454 A 19 ILE HA A 22 ILE HD11 1.0 0.0 3.42 540 455 A 24 ALA HB1 A 27 ILE HD11 1.0 0.0 4.34 541 456 A 27 ILE HG21 A 27 ILE HD11 1.0 0.0 2.64 542 457 A 16 ALA HA A 19 ILE HD11 1.0 0.0 3.77 543 458 A 16 ALA HB1 A 19 ILE HD11 1.0 0.0 4.38 544 459 A 14 LEU HD11 A 14 LEU HA 1.0 0.0 3.36 545 460 A 11 TRP HA A 14 LEU HD21 1.0 0.0 3.76 546 461 A 14 LEU HBx A 14 LEU HD21 1.0 0.0 3.17 547 462 A 14 LEU HD11 A 14 LEU HBy 1.0 0.0 3.10 548 463 A 10 PHE HD% A 14 LEU HBx 1.0 0.0 5.10 549 464 A 10 PHE HD% A 6 LEU HG 1.0 0.0 5.50 550 465 A 10 PHE HD% A 6 LEU HBx 1.0 0.0 5.50 551 466 A 30 TRP HE1 A 34 ARG HDx 1.0 0.0 5.10 552 466 A 34 ARG HDy A 30 TRP HE1 1.0 0.0 5.10 553 467 A 2 THR H A 1 MET HGy 1.0 0.0 4.89 554 468 A 2 THR H A 1 MET HGx 1.0 0.0 4.89 555 469 A 2 THR H A 5 GLU HGx 1.0 0.0 4.91 556 470 A 1 MET HA A 5 GLU HBy 1.0 0.0 5.50 557 471 A 3 PHE HA A 5 GLU HBy 1.0 0.0 5.50 558 472 A 2 THR HA A 1 MET HBx 1.0 0.0 5.23 559 472 A 2 THR HA A 1 MET HBy 1.0 0.0 5.23 560 473 A 30 TRP HA A 33 LYS HBx 1.0 0.0 4.75 561 473 A 30 TRP HA A 33 LYS HBy 1.0 0.0 4.75 562 474 A 30 TRP HA A 33 LYS HDx 1.0 0.0 5.07 563 474 A 30 TRP HA A 33 LYS HDy 1.0 0.0 5.07 564 475 A 29 ASN HA A 29 ASN HD2x 1.0 0.0 5.50 565 476 A 2 THR HB A 2 THR H 1.0 0.0 4.11 566 477 A 29 ASN HA A 32 ASN HBx 1.0 0.0 4.56 567 478 A 3 PHE H A 2 THR H 1.0 0.0 4.84 568 479 A 3 PHE HA A 4 ALA HB1 1.0 0.0 5.14 569 480 A 4 ALA HB1 A 3 PHE HBx 1.0 0.0 5.40 570 481 A 3 PHE HBy A 4 ALA HB1 1.0 0.0 5.50 571 482 A 2 THR HA A 3 PHE HBy 1.0 0.0 5.45 572 483 A 2 THR HA A 3 PHE HBx 1.0 0.0 5.30 573 484 A 11 TRP HE3 A 12 HIS HD1 1.0 0.0 5.48 574 485 A 18 VAL H A 16 ALA H 1.0 0.0 4.52 575 486 A 12 HIS H A 12 HIS HD1 1.0 0.0 4.77 576 487 A 13 ASP H A 12 HIS HD1 1.0 0.0 5.36 577 488 A 2 THR HA A 5 GLU H 1.0 0.0 4.82 578 489 A 2 THR HA A 3 PHE HD% 1.0 0.0 5.50 579 490 A 5 GLU H A 3 PHE HBx 1.0 0.0 5.50 580 491 A 3 PHE HD% A 4 ALA HB1 1.0 0.0 4.89 581 492 A 3 PHE HD% A 6 LEU HBy 1.0 0.0 5.34 582 493 A 3 PHE HD% A 6 LEU HBx 1.0 0.0 5.13 583 494 A 3 PHE HE% A 6 LEU HBx 1.0 0.0 5.50 584 495 A 5 GLU H A 6 LEU HBx 1.0 0.0 5.50 585 496 A 18 VAL H A 19 ILE HG1x 1.0 0.0 5.22 586 496 A 18 VAL H A 19 ILE HG1y 1.0 0.0 5.22 587 497 A 11 TRP HD1 A 8 MET H 1.0 0.0 5.08 588 498 A 4 ALA H A 3 PHE HD% 1.0 0.0 4.53 589 499 A 10 PHE HD% A 6 LEU HD21 1.0 0.0 5.50 590 500 A 15 ALA HB1 A 11 TRP HZ3 1.0 0.0 5.29 591 501 A 29 ASN HD2x A 25 SER HBx 1.0 0.0 5.27 592 501 A 25 SER HBy A 29 ASN HD2x 1.0 0.0 5.27 593 502 A 8 MET H A 4 ALA HB1 1.0 0.0 5.30 594 503 A 4 ALA HB1 A 8 MET HGx 1.0 0.0 5.50 595 504 A 4 ALA HB1 A 8 MET HGy 1.0 0.0 5.50 596 505 A 5 GLU HBx A 4 ALA HB1 1.0 0.0 5.31 597 506 A 5 GLU HBy A 4 ALA HB1 1.0 0.0 5.39 598 507 A 4 ALA HB1 A 5 GLU HGx 1.0 0.0 5.24 599 508 A 5 GLU HA A 8 MET HGx 1.0 0.0 5.12 600 509 A 2 THR HG21 A 5 GLU HA 1.0 0.0 5.50 601 510 A 4 ALA H A 5 GLU HA 1.0 0.0 5.43 602 511 A 20 ALA HA A 22 ILE H 1.0 0.0 4.79 603 512 A 2 THR HG21 A 5 GLU HGy 1.0 0.0 5.00 604 513 A 4 ALA HB1 A 5 GLU HGy 1.0 0.0 5.24 605 514 A 20 ALA HB1 A 17 PRO HBx 1.0 0.0 4.69 606 515 A 2 THR H A 5 GLU HGy 1.0 0.0 4.91 607 516 A 6 LEU H A 5 GLU HGy 1.0 0.0 5.31 608 517 A 5 GLU HBx A 9 ALA HB1 1.0 0.0 5.50 609 518 A 8 MET HBx A 9 ALA HB1 1.0 0.0 5.50 610 519 A 28 VAL HB A 24 ALA HB1 1.0 0.0 5.50 611 520 A 6 LEU H A 5 GLU HGx 1.0 0.0 5.31 612 521 A 30 TRP HA A 34 ARG H 1.0 0.0 5.28 613 522 A 2 THR HB A 6 LEU H 1.0 0.0 5.18 614 523 A 29 ASN HD2y A 29 ASN HA 1.0 0.0 5.50 615 524 A 34 ARG H A 35 LYS HA 1.0 0.0 5.27 616 525 A 6 LEU H A 8 MET H 1.0 0.0 4.80 617 526 A 2 THR H A 6 LEU H 1.0 0.0 4.95 618 527 A 3 PHE HA A 6 LEU HA 1.0 0.0 5.50 619 528 A 2 THR HB A 4 ALA HA 1.0 0.0 5.10 620 529 A 26 MET HA A 29 ASN HA 1.0 0.0 5.50 621 530 A 18 VAL HG21 A 14 LEU HA 1.0 0.0 4.51 622 531 A 15 ALA HA A 14 LEU HD11 1.0 0.0 4.73 623 532 A 15 ALA HA A 19 ILE HD11 1.0 0.0 4.83 624 533 A 10 PHE HA A 14 LEU HD21 1.0 0.0 4.57 625 534 A 26 MET HA A 26 MET HE1 1.0 0.0 4.60 626 535 A 22 ILE HB A 23 LEU HA 1.0 0.0 4.80 627 536 A 26 MET HBy A 23 LEU HA 1.0 0.0 5.20 628 537 A 5 GLU HBy A 6 LEU HA 1.0 0.0 4.90 629 538 A 8 MET HBy A 9 ALA HA 1.0 0.0 4.94 630 539 A 16 ALA HA A 18 VAL HB 1.0 0.0 5.50 631 540 A 10 PHE HD% A 14 LEU HA 1.0 0.0 5.31 632 541 A 33 LYS HZ% A 34 ARG HBy 1.0 0.0 5.45 633 542 A 33 LYS HZ% A 34 ARG HBx 1.0 0.0 5.45 634 543 A 22 ILE HG21 A 26 MET HA 1.0 0.0 5.50 635 544 A 3 PHE HE% A 6 LEU HD11 1.0 0.0 5.39 636 545 A 3 PHE HE% A 6 LEU HD21 1.0 0.0 5.39 637 546 A 30 TRP H A 28 VAL H 1.0 0.0 4.80 638 547 A 20 ALA H A 22 ILE H 1.0 0.0 5.26 639 548 A 13 ASP H A 10 PHE H 1.0 0.0 4.86 640 549 A 12 HIS H A 14 LEU H 1.0 0.0 4.64 641 550 A 29 ASN H A 27 ILE H 1.0 0.0 4.56 642 551 A 29 ASN H A 26 MET H 1.0 0.0 4.82 643 552 A 9 ALA H A 10 PHE HBx 1.0 0.0 5.50 644 553 A 12 HIS HE1 A 8 MET HGx 1.0 0.0 5.47 645 554 A 27 ILE H A 26 MET HGx 1.0 0.0 4.94 646 555 A 26 MET H A 23 LEU HBx 1.0 0.0 5.31 647 555 A 26 MET H A 23 LEU HBy 1.0 0.0 5.31 648 556 A 26 MET H A 27 ILE HG1x 1.0 0.0 5.50 649 556 A 26 MET H A 27 ILE HG1y 1.0 0.0 5.50 650 557 A 13 ASP H A 14 LEU HBx 1.0 0.0 4.97 651 558 A 27 ILE H A 23 LEU HG 1.0 0.0 4.89 652 559 A 10 PHE HA A 12 HIS H 1.0 0.0 4.81 653 560 A 32 ASN H A 29 ASN HA 1.0 0.0 4.70 654 561 A 30 TRP HA A 32 ASN H 1.0 0.0 5.28 655 562 A 8 MET HA A 10 PHE H 1.0 0.0 4.93 656 563 A 34 ARG H A 32 ASN HA 1.0 0.0 4.78 657 564 A 8 MET HA A 9 ALA HA 1.0 0.0 5.50 658 565 A 12 HIS HA A 13 ASP HA 1.0 0.0 5.50 659 566 A 13 ASP HA A 14 LEU HA 1.0 0.0 5.50 660 567 A 10 PHE HA A 13 ASP HA 1.0 0.0 5.42 661 568 A 8 MET HA A 8 MET HE1 1.0 0.0 4.55 662 569 A 29 ASN HA A 28 VAL HG11 1.0 0.0 5.50 663 570 A 32 ASN HA A 32 ASN HD2y 1.0 0.0 5.11 664 571 A 8 MET HA A 12 HIS HE1 1.0 0.0 4.88 665 572 A 32 ASN HA A 35 LYS HDx 1.0 0.0 5.13 666 572 A 35 LYS HDy A 32 ASN HA 1.0 0.0 5.13 667 573 A 32 ASN HA A 34 ARG HGx 1.0 0.0 5.17 668 573 A 34 ARG HGy A 32 ASN HA 1.0 0.0 5.17 669 574 A 15 ALA HB1 A 13 ASP HA 1.0 0.0 5.19 670 575 A 5 GLU HA A 8 MET HGy 1.0 0.0 5.12 671 576 A 12 HIS HE1 A 8 MET HGy 1.0 0.0 5.47 672 577 A 8 MET HE1 A 8 MET HGy 1.0 0.0 4.55 673 578 A 32 ASN H A 32 ASN HD2x 1.0 0.0 5.07 674 579 A 17 PRO HA A 19 ILE H 1.0 0.0 4.94 675 580 A 35 LYS H A 33 LYS HA 1.0 0.0 5.05 676 581 A 3 PHE H A 4 ALA HA 1.0 0.0 5.34 677 582 A 16 ALA HA A 19 ILE HG1x 1.0 0.0 5.10 678 582 A 16 ALA HA A 19 ILE HG1y 1.0 0.0 5.10 679 583 A 8 MET HA A 9 ALA HB1 1.0 0.0 5.05 680 584 A 10 PHE HD% A 14 LEU HG 1.0 0.0 5.05 681 585 A 35 LYS H A 34 ARG HGx 1.0 0.0 4.65 682 585 A 35 LYS H A 34 ARG HGy 1.0 0.0 4.65 683 586 A 6 LEU H A 9 ALA HB1 1.0 0.0 5.35 684 587 A 14 LEU HG A 16 ALA H 1.0 0.0 5.50 685 588 A 28 VAL H A 24 ALA HB1 1.0 0.0 4.65 686 589 A 21 GLY H A 24 ALA HB1 1.0 0.0 4.95 687 590 A 18 VAL HG21 A 14 LEU HBy 1.0 0.0 4.76 688 591 A 14 LEU HBx A 18 VAL HG21 1.0 0.0 4.91 689 592 A 26 MET H A 28 VAL H 1.0 0.0 4.74 690 593 A 23 LEU H A 26 MET H 1.0 0.0 5.08 691 594 A 20 ALA H A 19 ILE HD11 1.0 0.0 4.73 692 595 A 17 PRO HA A 20 ALA H 1.0 0.0 4.04 693 596 A 17 PRO HA A 18 VAL HG21 1.0 0.0 5.22 694 597 A 9 ALA HB1 A 10 PHE HBy 1.0 0.0 4.99 695 598 A 9 ALA HB1 A 10 PHE HBx 1.0 0.0 4.99 696 599 A 9 ALA H A 10 PHE HBy 1.0 0.0 5.50 697 600 A 11 TRP HBx A 14 LEU HD21 1.0 0.0 5.34 698 601 A 15 ALA HB1 A 12 HIS HBx 1.0 0.0 4.74 699 601 A 12 HIS HBy A 15 ALA HB1 1.0 0.0 4.74 700 602 A 11 TRP HBx A 15 ALA HB1 1.0 0.0 5.35 701 603 A 30 TRP HD1 A 31 LEU H 1.0 0.0 5.50 702 604 A 30 TRP HZ3 A 31 LEU H 1.0 0.0 5.50 703 605 A 10 PHE HD% A 11 TRP HE1 1.0 0.0 4.97 704 606 A 30 TRP HD1 A 33 LYS HEx 1.0 0.0 5.50 705 606 A 30 TRP HD1 A 33 LYS HEy 1.0 0.0 5.50 706 607 A 30 TRP HD1 A 34 ARG HDx 1.0 0.0 5.50 707 607 A 30 TRP HD1 A 34 ARG HDy 1.0 0.0 5.50 708 608 A 30 TRP HH2 A 34 ARG HDx 1.0 0.0 5.13 709 608 A 34 ARG HDy A 30 TRP HH2 1.0 0.0 5.13 710 609 A 30 TRP HD1 A 33 LYS HGx 1.0 0.0 4.99 711 609 A 30 TRP HD1 A 33 LYS HGy 1.0 0.0 4.99 712 610 A 30 TRP HD1 A 34 ARG HGx 1.0 0.0 5.33 713 610 A 30 TRP HD1 A 34 ARG HGy 1.0 0.0 5.33 714 611 A 30 TRP HZ3 A 31 LEU HBx 1.0 0.0 5.07 715 611 A 30 TRP HZ3 A 31 LEU HBy 1.0 0.0 5.07 716 612 A 10 PHE HA A 10 PHE HE% 1.0 0.0 4.63 717 613 A 11 TRP H A 9 ALA HB1 1.0 0.0 4.82 718 614 A 11 TRP H A 14 LEU HD21 1.0 0.0 5.02 719 615 A 24 ALA H A 27 ILE HD11 1.0 0.0 5.16 720 616 A 12 HIS H A 15 ALA HB1 1.0 0.0 4.97 721 617 A 30 TRP H A 27 ILE HG21 1.0 0.0 5.12 722 618 A 7 GLY H A 4 ALA HB1 1.0 0.0 4.98 723 619 A 13 ASP H A 16 ALA HB1 1.0 0.0 4.95 724 620 A 8 MET HBx A 12 HIS HE1 1.0 0.0 4.68 725 621 A 24 ALA H A 22 ILE HB 1.0 0.0 5.15 726 622 A 20 ALA H A 18 VAL HB 1.0 0.0 5.21 727 623 A 27 ILE H A 26 MET HE1 1.0 0.0 4.93 728 624 A 8 MET HA A 11 TRP HA 1.0 0.0 5.50 729 625 A 35 LYS HA A 32 ASN HA 1.0 0.0 5.50 730 626 A 11 TRP HA A 10 PHE H 1.0 0.0 5.46 731 627 A 10 PHE HA A 14 LEU HBx 1.0 0.0 5.10 732 628 A 10 PHE HA A 9 ALA H 1.0 0.0 5.50 733 629 A 19 ILE H A 17 PRO HDx 1.0 0.0 4.87 734 629 A 19 ILE H A 17 PRO HDy 1.0 0.0 4.87 735 630 A 14 LEU H A 12 HIS HBx 1.0 0.0 5.01 736 630 A 12 HIS HBy A 14 LEU H 1.0 0.0 5.01 737 631 A 15 ALA HB1 A 17 PRO HDx 1.0 0.0 4.64 738 631 A 15 ALA HB1 A 17 PRO HDy 1.0 0.0 4.64 739 632 A 32 ASN H A 32 ASN HD2y 1.0 0.0 5.07 740 633 A 30 TRP HZ2 A 34 ARG HDx 1.0 0.0 4.87 741 633 A 34 ARG HDy A 30 TRP HZ2 1.0 0.0 4.87 742 634 A 33 LYS H A 32 ASN HBx 1.0 0.0 4.73 743 635 A 33 LYS H A 32 ASN HBy 1.0 0.0 4.73 744 636 A 11 TRP HE3 A 14 LEU HBx 1.0 0.0 5.50 745 637 A 18 VAL H A 20 ALA HB1 1.0 0.0 4.99 746 638 A 10 PHE HE% A 11 TRP HZ2 1.0 0.0 5.50 747 639 A 11 TRP HD1 A 10 PHE HE% 1.0 0.0 5.50 748 640 A 11 TRP HA A 10 PHE HE% 1.0 0.0 5.34 749 641 A 7 GLY H A 3 PHE HD% 1.0 0.0 5.38 750 642 A 11 TRP HD1 A 12 HIS H 1.0 0.0 5.50 751 643 A 11 TRP H A 11 TRP HE3 1.0 0.0 5.16 752 644 A 29 ASN H A 29 ASN HD2x 1.0 0.0 4.95 753 645 A 27 ILE H A 25 SER HBx 1.0 0.0 5.50 754 645 A 25 SER HBy A 27 ILE H 1.0 0.0 5.50 755 646 A 19 ILE H A 16 ALA HB1 1.0 0.0 5.00 756 647 A 12 HIS H A 14 LEU HD21 1.0 0.0 5.36 757 648 A 3 PHE HBx A 4 ALA HA 1.0 0.0 4.91 758 649 A 13 ASP HBy A 9 ALA HA 1.0 0.0 4.94 759 650 A 8 MET HA A 12 HIS HD1 1.0 0.0 5.24 760 651 A 35 LYS H A 32 ASN HA 1.0 0.0 5.21 761 652 A 27 ILE H A 26 MET HGy 1.0 0.0 4.94 762 653 A 11 TRP HBy A 10 PHE H 1.0 0.0 5.42 763 654 A 10 PHE H A 12 HIS HBx 1.0 0.0 5.50 764 654 A 12 HIS HBy A 10 PHE H 1.0 0.0 5.50 765 655 A 11 TRP HA A 13 ASP H 1.0 0.0 4.65 766 656 A 30 TRP H A 30 TRP HE3 1.0 0.0 4.95 767 657 A 20 ALA H A 19 ILE HG1x 1.0 0.0 5.35 768 657 A 20 ALA H A 19 ILE HG1y 1.0 0.0 5.35 769 658 A 12 HIS HA A 12 HIS HE1 1.0 0.0 5.18 770 659 A 15 ALA H A 12 HIS HBx 1.0 0.0 5.50 771 659 A 15 ALA H A 12 HIS HBy 1.0 0.0 5.50 772 660 A 16 ALA H A 12 HIS HBx 1.0 0.0 5.50 773 660 A 12 HIS HBy A 16 ALA H 1.0 0.0 5.50 774 661 A 9 ALA H A 12 HIS HBx 1.0 0.0 4.88 775 661 A 12 HIS HBy A 9 ALA H 1.0 0.0 4.88 776 662 A 16 ALA HB1 A 12 HIS HBx 1.0 0.0 5.29 777 662 A 12 HIS HBy A 16 ALA HB1 1.0 0.0 5.29 778 663 A 10 PHE HA A 12 HIS HBx 1.0 0.0 5.50 779 663 A 10 PHE HA A 12 HIS HBy 1.0 0.0 5.50 780 664 A 18 VAL HA A 17 PRO HDx 1.0 0.0 5.33 781 664 A 17 PRO HDy A 18 VAL HA 1.0 0.0 5.33 782 665 A 32 ASN HA A 32 ASN HD2x 1.0 0.0 5.11 783 666 A 2 THR HB A 7 GLY H 1.0 0.0 5.50 784 667 A 15 ALA HA A 14 LEU H 1.0 0.0 5.23 785 668 A 32 ASN H A 34 ARG HGx 1.0 0.0 4.58 786 668 A 32 ASN H A 34 ARG HGy 1.0 0.0 4.58 787 669 A 12 HIS H A 9 ALA HB1 1.0 0.0 5.12 788 670 A 12 HIS H A 14 LEU HG 1.0 0.0 5.50 789 671 A 22 ILE H A 20 ALA HB1 1.0 0.0 4.93 790 672 A 11 TRP HE3 A 14 LEU HBy 1.0 0.0 5.50 791 673 A 13 ASP H A 14 LEU HD21 1.0 0.0 4.96 792 674 A 11 TRP HD1 A 14 LEU HD21 1.0 0.0 4.85 793 675 A 11 TRP HBy A 14 LEU HD21 1.0 0.0 4.92 794 676 A 14 LEU HD21 A 10 PHE HBy 1.0 0.0 4.87 795 677 A 14 LEU HD21 A 10 PHE HBx 1.0 0.0 4.87 796 678 A 13 ASP HBx A 14 LEU HD21 1.0 0.0 4.96 797 679 A 14 LEU HD11 A 19 ILE HG1x 1.0 0.0 5.50 798 679 A 19 ILE HG1y A 14 LEU HD11 1.0 0.0 5.50 799 680 A 17 PRO HGy A 14 LEU HD11 1.0 0.0 5.18 800 681 A 21 GLY H A 19 ILE H 1.0 0.0 4.60 801 682 A 19 ILE H A 16 ALA H 1.0 0.0 4.88 802 683 A 21 GLY H A 23 LEU H 1.0 0.0 4.71 803 684 A 17 PRO HGy A 16 ALA H 1.0 0.0 4.63 804 685 A 30 TRP HE3 A 34 ARG HGx 1.0 0.0 5.50 805 685 A 30 TRP HE3 A 34 ARG HGy 1.0 0.0 5.50 806 686 A 15 ALA H A 18 VAL HG21 1.0 0.0 5.11 807 687 A 16 ALA H A 18 VAL HG21 1.0 0.0 5.50 808 688 A 6 LEU H A 4 ALA HB1 1.0 0.0 4.60 809 689 A 30 TRP H A 26 MET HA 1.0 0.0 4.70 810 690 A 20 ALA HB1 A 19 ILE HD11 1.0 0.0 5.31 811 691 A 16 ALA HB1 A 17 PRO HBx 1.0 0.0 4.76 812 692 A 2 THR HG21 A 5 GLU HGx 1.0 0.0 5.00 813 693 A 5 GLU HBy A 2 THR HG21 1.0 0.0 4.76 814 694 A 15 ALA HA A 14 LEU HBy 1.0 0.0 5.49 815 695 A 15 ALA HA A 16 ALA HB1 1.0 0.0 5.50 816 696 A 26 MET HBx A 27 ILE HG1x 1.0 0.0 4.85 817 696 A 26 MET HBx A 27 ILE HG1y 1.0 0.0 4.85 818 697 A 30 TRP HE3 A 27 ILE HB 1.0 0.0 5.34 819 698 A 21 GLY H A 19 ILE HB 1.0 0.0 5.50 820 699 A 21 GLY H A 22 ILE HG1x 1.0 0.0 5.50 821 699 A 21 GLY H A 22 ILE HG1y 1.0 0.0 5.50 822 700 A 14 LEU HD11 A 17 PRO HDx 1.0 0.0 5.04 823 700 A 14 LEU HD11 A 17 PRO HDy 1.0 0.0 5.04 824 701 A 18 VAL H A 19 ILE HA 1.0 0.0 5.41 825 702 A 21 GLY H A 19 ILE HA 1.0 0.0 4.98 826 703 A 6 LEU H A 7 GLY HAx 1.0 0.0 4.95 827 704 A 26 MET H A 22 ILE HA 1.0 0.0 4.89 828 705 A 24 ALA H A 22 ILE HA 1.0 0.0 4.99 829 706 A 20 ALA H A 18 VAL HA 1.0 0.0 5.03 830 707 A 22 ILE HA A 25 SER HBx 1.0 0.0 4.54 831 707 A 25 SER HBy A 22 ILE HA 1.0 0.0 4.54 832 708 A 18 VAL HA A 21 GLY HAx 1.0 0.0 5.48 833 708 A 21 GLY HAy A 18 VAL HA 1.0 0.0 5.48 834 709 A 22 ILE HA A 21 GLY HAx 1.0 0.0 5.50 835 709 A 21 GLY HAy A 22 ILE HA 1.0 0.0 5.50 836 710 A 20 ALA HB1 A 18 VAL HA 1.0 0.0 5.49 837 711 A 17 PRO HBy A 18 VAL HA 1.0 0.0 5.13 838 712 A 11 TRP H A 7 GLY HAy 1.0 0.0 4.78 839 713 A 11 TRP H A 8 MET H 1.0 0.0 5.09 840 714 A 28 VAL H A 25 SER H 1.0 0.0 4.84 841 715 A 19 ILE HA A 19 ILE HD11 1.0 0.0 3.93 842 716 A 19 ILE HA A 23 LEU HBx 1.0 0.0 4.94 843 716 A 19 ILE HA A 23 LEU HBy 1.0 0.0 4.94 844 717 A 19 ILE HA A 18 VAL HB 1.0 0.0 5.06 845 718 A 19 ILE HB A 19 ILE HD11 1.0 0.0 3.60 846 719 A 16 ALA H A 19 ILE HD11 1.0 0.0 4.79 847 720 A 18 VAL HB A 22 ILE HD11 1.0 0.0 4.74 848 721 A 18 VAL H A 19 ILE HD11 1.0 0.0 4.74 849 722 A 28 VAL H A 29 ASN HA 1.0 0.0 5.48 850 723 A 23 LEU H A 20 ALA HB1 1.0 0.0 4.79 851 724 A 25 SER H A 21 GLY HAx 1.0 0.0 4.61 852 724 A 25 SER H A 21 GLY HAy 1.0 0.0 4.61 853 725 A 23 LEU H A 21 GLY HAx 1.0 0.0 4.85 854 725 A 23 LEU H A 21 GLY HAy 1.0 0.0 4.85 855 726 A 19 ILE HA A 22 ILE H 1.0 0.0 3.95 856 727 A 30 TRP HZ3 A 27 ILE HD11 1.0 0.0 4.89 857 728 A 28 VAL H A 27 ILE HD11 1.0 0.0 4.62 858 729 A 22 ILE HD11 A 22 ILE HA 1.0 0.0 3.92 859 730 A 10 PHE HD% A 6 LEU HD11 1.0 0.0 5.50 860 731 A 26 MET H A 25 SER H 1.0 0.0 3.46 861 732 A 26 MET HE1 A 26 MET HGy 1.0 0.0 4.57 862 733 A 34 ARG H A 33 LYS HEx 1.0 0.0 5.50 863 733 A 34 ARG H A 33 LYS HEy 1.0 0.0 5.50 864 734 A 34 ARG H A 34 ARG HDx 1.0 0.0 5.50 865 734 A 34 ARG H A 34 ARG HDy 1.0 0.0 5.50 866 735 A 6 LEU HBy A 9 ALA HB1 1.0 0.0 4.94 867 736 A 1 MET HBy A 6 LEU HD21 1.0 0.0 4.31 868 736 A 1 MET HBx A 6 LEU HD21 1.0 0.0 4.31 869 736 A 6 LEU HD11 A 1 MET HBx 1.0 0.0 4.31 870 736 A 1 MET HBy A 6 LEU HD11 1.0 0.0 4.31 871 737 A 2 THR H A 1 MET HGx 1.0 0.0 4.27 872 737 A 2 THR H A 1 MET HGy 1.0 0.0 4.27 873 738 A 6 LEU H A 1 MET HGx 1.0 0.0 5.17 874 738 A 6 LEU H A 1 MET HGy 1.0 0.0 5.17 875 739 A 1 MET HGx A 6 LEU HD21 1.0 0.0 4.22 876 739 A 1 MET HGy A 6 LEU HD21 1.0 0.0 4.22 877 739 A 6 LEU HD11 A 1 MET HGx 1.0 0.0 4.22 878 739 A 6 LEU HD11 A 1 MET HGy 1.0 0.0 4.22 879 740 A 2 THR HG21 A 5 GLU HGy 1.0 0.0 4.30 880 740 A 2 THR HG21 A 5 GLU HGx 1.0 0.0 4.30 881 741 A 3 PHE HA A 6 LEU HD21 1.0 0.0 3.92 882 741 A 3 PHE HA A 6 LEU HD11 1.0 0.0 3.92 883 742 A 3 PHE HD% A 6 LEU HD21 1.0 0.0 4.09 884 742 A 3 PHE HD% A 6 LEU HD11 1.0 0.0 4.09 885 743 A 3 PHE HE% A 6 LEU HD21 1.0 0.0 4.49 886 743 A 3 PHE HE% A 6 LEU HD11 1.0 0.0 4.49 887 744 A 4 ALA HB1 A 5 GLU HGy 1.0 0.0 4.49 888 744 A 4 ALA HB1 A 5 GLU HGx 1.0 0.0 4.49 889 745 A 4 ALA HB1 A 8 MET HGx 1.0 0.0 4.79 890 745 A 4 ALA HB1 A 8 MET HGy 1.0 0.0 4.79 891 746 A 5 GLU HA A 8 MET HGx 1.0 0.0 4.47 892 746 A 5 GLU HA A 8 MET HGy 1.0 0.0 4.47 893 747 A 5 GLU HBy A 6 LEU HD21 1.0 0.0 5.42 894 747 A 5 GLU HBy A 6 LEU HD11 1.0 0.0 5.42 895 748 A 6 LEU H A 5 GLU HGy 1.0 0.0 4.52 896 748 A 6 LEU H A 5 GLU HGx 1.0 0.0 4.52 897 749 A 6 LEU HA A 6 LEU HD21 1.0 0.0 3.52 898 749 A 6 LEU HA A 6 LEU HD11 1.0 0.0 3.52 899 750 A 6 LEU HA A 10 PHE HBy 1.0 0.0 4.88 900 750 A 6 LEU HA A 10 PHE HBx 1.0 0.0 4.88 901 751 A 6 LEU HBy A 6 LEU HD21 1.0 0.0 3.05 902 751 A 6 LEU HBy A 6 LEU HD11 1.0 0.0 3.05 903 752 A 6 LEU HBx A 6 LEU HD21 1.0 0.0 2.87 904 752 A 6 LEU HBx A 6 LEU HD11 1.0 0.0 2.87 905 753 A 6 LEU HBx A 10 PHE HBy 1.0 0.0 5.08 906 753 A 6 LEU HBx A 10 PHE HBx 1.0 0.0 5.08 907 754 A 7 GLY H A 6 LEU HD21 1.0 0.0 4.38 908 754 A 7 GLY H A 6 LEU HD11 1.0 0.0 4.38 909 755 A 9 ALA HB1 A 6 LEU HD21 1.0 0.0 4.02 910 755 A 9 ALA HB1 A 6 LEU HD11 1.0 0.0 4.02 911 756 A 10 PHE H A 6 LEU HD21 1.0 0.0 3.94 912 756 A 10 PHE H A 6 LEU HD11 1.0 0.0 3.94 913 757 A 10 PHE HD% A 6 LEU HD21 1.0 0.0 4.54 914 757 A 10 PHE HD% A 6 LEU HD11 1.0 0.0 4.54 915 758 A 10 PHE HE% A 6 LEU HD21 1.0 0.0 4.95 916 758 A 10 PHE HE% A 6 LEU HD11 1.0 0.0 4.95 917 759 A 14 LEU HD21 A 6 LEU HD21 1.0 0.0 5.44 918 759 A 14 LEU HD21 A 6 LEU HD11 1.0 0.0 5.44 919 760 A 7 GLY H A 8 MET HGx 1.0 0.0 5.34 920 760 A 7 GLY H A 8 MET HGy 1.0 0.0 5.34 921 761 A 7 GLY H A 10 PHE HBy 1.0 0.0 5.29 922 761 A 7 GLY H A 10 PHE HBx 1.0 0.0 5.29 923 762 A 7 GLY HAx A 10 PHE HBy 1.0 0.0 4.33 924 762 A 7 GLY HAx A 10 PHE HBx 1.0 0.0 4.33 925 763 A 9 ALA H A 8 MET HGx 1.0 0.0 4.57 926 763 A 9 ALA H A 8 MET HGy 1.0 0.0 4.57 927 764 A 12 HIS HE1 A 8 MET HGx 1.0 0.0 4.76 928 764 A 12 HIS HE1 A 8 MET HGy 1.0 0.0 4.76 929 765 A 9 ALA HB1 A 10 PHE HBy 1.0 0.0 4.33 930 765 A 9 ALA HB1 A 10 PHE HBx 1.0 0.0 4.33 931 766 A 11 TRP H A 10 PHE HBy 1.0 0.0 3.36 932 766 A 11 TRP H A 10 PHE HBx 1.0 0.0 3.36 933 767 A 13 ASP H A 10 PHE HBy 1.0 0.0 5.34 934 767 A 13 ASP H A 10 PHE HBx 1.0 0.0 5.34 935 768 A 20 ALA H A 23 LEU HD21 1.0 0.0 5.44 936 768 A 20 ALA H A 23 LEU HD11 1.0 0.0 5.44 937 769 A 20 ALA HA A 23 LEU HD21 1.0 0.0 3.49 938 769 A 20 ALA HA A 23 LEU HD11 1.0 0.0 3.49 939 770 A 20 ALA HB1 A 23 LEU HD21 1.0 0.0 4.32 940 770 A 20 ALA HB1 A 23 LEU HD11 1.0 0.0 4.32 941 771 A 22 ILE HG21 A 26 MET HGx 1.0 0.0 3.48 942 771 A 22 ILE HG21 A 26 MET HGy 1.0 0.0 3.48 943 772 A 23 LEU H A 23 LEU HD21 1.0 0.0 4.31 944 772 A 23 LEU H A 23 LEU HD11 1.0 0.0 4.31 945 773 A 23 LEU HA A 23 LEU HD21 1.0 0.0 2.88 946 773 A 23 LEU HA A 23 LEU HD11 1.0 0.0 2.88 947 774 A 23 LEU HA A 26 MET HGx 1.0 0.0 3.88 948 774 A 23 LEU HA A 26 MET HGy 1.0 0.0 3.88 949 775 A 24 ALA H A 23 LEU HD21 1.0 0.0 4.72 950 775 A 24 ALA H A 23 LEU HD11 1.0 0.0 4.72 951 776 A 26 MET H A 23 LEU HD21 1.0 0.0 4.53 952 776 A 26 MET H A 23 LEU HD11 1.0 0.0 4.53 953 777 A 26 MET HA A 23 LEU HD21 1.0 0.0 5.44 954 777 A 26 MET HA A 23 LEU HD11 1.0 0.0 5.44 955 778 A 26 MET HBx A 23 LEU HD21 1.0 0.0 4.85 956 778 A 26 MET HBx A 23 LEU HD11 1.0 0.0 4.85 957 779 A 23 LEU HD21 A 26 MET HGx 1.0 0.0 4.23 958 779 A 23 LEU HD11 A 26 MET HGx 1.0 0.0 4.23 959 779 A 26 MET HGy A 23 LEU HD21 1.0 0.0 4.23 960 779 A 23 LEU HD11 A 26 MET HGy 1.0 0.0 4.23 961 780 A 26 MET HE1 A 23 LEU HD21 1.0 0.0 3.51 962 780 A 26 MET HE1 A 23 LEU HD11 1.0 0.0 3.51 963 781 A 27 ILE H A 23 LEU HD21 1.0 0.0 4.54 964 781 A 27 ILE H A 23 LEU HD11 1.0 0.0 4.54 965 782 A 24 ALA HA A 28 VAL HG11 1.0 0.0 3.95 966 782 A 24 ALA HA A 28 VAL HG21 1.0 0.0 3.95 967 783 A 24 ALA HB1 A 28 VAL HG11 1.0 0.0 3.43 968 783 A 24 ALA HB1 A 28 VAL HG21 1.0 0.0 3.43 969 784 A 25 SER H A 28 VAL HG11 1.0 0.0 4.64 970 784 A 25 SER H A 28 VAL HG21 1.0 0.0 4.64 971 785 A 25 SER HA A 28 VAL HG11 1.0 0.0 3.27 972 785 A 25 SER HA A 28 VAL HG21 1.0 0.0 3.27 973 786 A 25 SER HA A 29 ASN HBx 1.0 0.0 5.25 974 786 A 25 SER HA A 29 ASN HBy 1.0 0.0 5.25 975 787 A 29 ASN HD2y A 25 SER HA 1.0 0.0 5.34 976 787 A 25 SER HA A 29 ASN HD2x 1.0 0.0 5.34 977 788 A 25 SER HBy A 28 VAL HG11 1.0 0.0 4.97 978 788 A 25 SER HBx A 28 VAL HG11 1.0 0.0 4.97 979 788 A 28 VAL HG21 A 25 SER HBx 1.0 0.0 4.97 980 788 A 25 SER HBy A 28 VAL HG21 1.0 0.0 4.97 981 789 A 29 ASN HD2x A 25 SER HBx 1.0 0.0 4.55 982 789 A 25 SER HBy A 29 ASN HD2y 1.0 0.0 4.55 983 789 A 25 SER HBy A 29 ASN HD2x 1.0 0.0 4.55 984 789 A 29 ASN HD2y A 25 SER HBx 1.0 0.0 4.55 985 790 A 26 MET H A 26 MET HGx 1.0 0.0 3.39 986 790 A 26 MET H A 26 MET HGy 1.0 0.0 3.39 987 791 A 26 MET H A 28 VAL HG11 1.0 0.0 5.18 988 791 A 26 MET H A 28 VAL HG21 1.0 0.0 5.18 989 792 A 26 MET HA A 26 MET HGx 1.0 0.0 3.28 990 792 A 26 MET HA A 26 MET HGy 1.0 0.0 3.28 991 793 A 26 MET HA A 29 ASN HBx 1.0 0.0 3.60 992 793 A 26 MET HA A 29 ASN HBy 1.0 0.0 3.60 993 794 A 27 ILE H A 28 VAL HG11 1.0 0.0 4.22 994 794 A 27 ILE H A 28 VAL HG21 1.0 0.0 4.22 995 795 A 27 ILE HB A 28 VAL HG11 1.0 0.0 3.71 996 795 A 27 ILE HB A 28 VAL HG21 1.0 0.0 3.71 997 796 A 27 ILE HG21 A 28 VAL HG11 1.0 0.0 3.63 998 796 A 27 ILE HG21 A 28 VAL HG21 1.0 0.0 3.63 999 797 A 27 ILE HG21 A 30 TRP HBy 1.0 0.0 4.72 1000 797 A 27 ILE HG21 A 30 TRP HBx 1.0 0.0 4.72 1001 798 A 28 VAL H A 28 VAL HG11 1.0 0.0 2.84 1002 798 A 28 VAL H A 28 VAL HG21 1.0 0.0 2.84 1003 799 A 28 VAL H A 31 LEU HD21 1.0 0.0 5.31 1004 799 A 28 VAL H A 31 LEU HD11 1.0 0.0 5.31 1005 800 A 28 VAL HA A 28 VAL HG11 1.0 0.0 2.64 1006 800 A 28 VAL HA A 28 VAL HG21 1.0 0.0 2.64 1007 801 A 28 VAL HA A 32 ASN HD2y 1.0 0.0 4.84 1008 801 A 28 VAL HA A 32 ASN HD2x 1.0 0.0 4.84 1009 802 A 29 ASN HA A 28 VAL HG11 1.0 0.0 4.11 1010 802 A 29 ASN HA A 28 VAL HG21 1.0 0.0 4.11 1011 803 A 31 LEU H A 28 VAL HG11 1.0 0.0 5.44 1012 803 A 31 LEU H A 28 VAL HG21 1.0 0.0 5.44 1013 804 A 28 VAL HG21 A 31 LEU HBx 1.0 0.0 4.43 1014 804 A 31 LEU HBy A 28 VAL HG11 1.0 0.0 4.43 1015 804 A 31 LEU HBy A 28 VAL HG21 1.0 0.0 4.43 1016 804 A 28 VAL HG11 A 31 LEU HBx 1.0 0.0 4.43 1017 805 A 32 ASN H A 28 VAL HG11 1.0 0.0 4.99 1018 805 A 32 ASN H A 28 VAL HG21 1.0 0.0 4.99 1019 806 A 32 ASN HA A 28 VAL HG11 1.0 0.0 4.81 1020 806 A 32 ASN HA A 28 VAL HG21 1.0 0.0 4.81 1021 807 A 28 VAL HG11 A 32 ASN HBx 1.0 0.0 4.12 1022 807 A 28 VAL HG21 A 32 ASN HBx 1.0 0.0 4.12 1023 807 A 32 ASN HBy A 28 VAL HG11 1.0 0.0 4.12 1024 807 A 28 VAL HG21 A 32 ASN HBy 1.0 0.0 4.12 1025 808 A 32 ASN HD2y A 28 VAL HG11 1.0 0.0 3.05 1026 808 A 32 ASN HD2x A 28 VAL HG21 1.0 0.0 3.05 1027 808 A 32 ASN HD2x A 28 VAL HG11 1.0 0.0 3.05 1028 808 A 32 ASN HD2y A 28 VAL HG21 1.0 0.0 3.05 1029 809 A 29 ASN H A 29 ASN HBx 1.0 0.0 3.34 1030 809 A 29 ASN H A 29 ASN HBy 1.0 0.0 3.34 1031 810 A 29 ASN HD2y A 29 ASN H 1.0 0.0 4.14 1032 810 A 29 ASN H A 29 ASN HD2x 1.0 0.0 4.14 1033 811 A 29 ASN HD2y A 29 ASN HA 1.0 0.0 4.73 1034 811 A 29 ASN HA A 29 ASN HD2x 1.0 0.0 4.73 1035 812 A 29 ASN HA A 32 ASN HBx 1.0 0.0 4.01 1036 812 A 29 ASN HA A 32 ASN HBy 1.0 0.0 4.01 1037 813 A 29 ASN HA A 32 ASN HD2y 1.0 0.0 4.58 1038 813 A 29 ASN HA A 32 ASN HD2x 1.0 0.0 4.58 1039 814 A 30 TRP H A 30 TRP HBy 1.0 0.0 3.32 1040 814 A 30 TRP H A 30 TRP HBx 1.0 0.0 3.32 1041 815 A 30 TRP H A 31 LEU HD21 1.0 0.0 5.25 1042 815 A 30 TRP H A 31 LEU HD11 1.0 0.0 5.25 1043 816 A 30 TRP HD1 A 30 TRP HBy 1.0 0.0 3.41 1044 816 A 30 TRP HD1 A 30 TRP HBx 1.0 0.0 3.41 1045 817 A 30 TRP HBy A 31 LEU HD21 1.0 0.0 4.77 1046 817 A 30 TRP HBx A 31 LEU HD21 1.0 0.0 4.77 1047 817 A 31 LEU HD11 A 30 TRP HBy 1.0 0.0 4.77 1048 817 A 30 TRP HBx A 31 LEU HD11 1.0 0.0 4.77 1049 818 A 30 TRP HE3 A 31 LEU HD21 1.0 0.0 3.51 1050 818 A 30 TRP HE3 A 31 LEU HD11 1.0 0.0 3.51 1051 819 A 30 TRP HE1 A 31 LEU HD21 1.0 0.0 5.44 1052 819 A 30 TRP HE1 A 31 LEU HD11 1.0 0.0 5.44 1053 820 A 30 TRP HZ3 A 31 LEU HD21 1.0 0.0 3.64 1054 820 A 30 TRP HZ3 A 31 LEU HD11 1.0 0.0 3.64 1055 821 A 30 TRP HH2 A 31 LEU HD21 1.0 0.0 4.93 1056 821 A 30 TRP HH2 A 31 LEU HD11 1.0 0.0 4.93 1057 822 A 31 LEU H A 31 LEU HD21 1.0 0.0 3.75 1058 822 A 31 LEU H A 31 LEU HD11 1.0 0.0 3.75 1059 823 A 31 LEU HA A 31 LEU HD21 1.0 0.0 3.24 1060 823 A 31 LEU HA A 31 LEU HD11 1.0 0.0 3.24 1061 824 A 31 LEU HBx A 31 LEU HD21 1.0 0.0 2.83 1062 824 A 31 LEU HBy A 31 LEU HD21 1.0 0.0 2.83 1063 824 A 31 LEU HD11 A 31 LEU HBx 1.0 0.0 2.83 1064 824 A 31 LEU HBy A 31 LEU HD11 1.0 0.0 2.83 1065 825 A 32 ASN H A 31 LEU HD21 1.0 0.0 4.84 1066 825 A 32 ASN H A 31 LEU HD11 1.0 0.0 4.84 1067 826 A 31 LEU HD21 A 34 ARG HGx 1.0 0.0 3.33 1068 826 A 34 ARG HGy A 31 LEU HD21 1.0 0.0 3.33 1069 826 A 34 ARG HGy A 31 LEU HD11 1.0 0.0 3.33 1070 826 A 31 LEU HD11 A 34 ARG HGx 1.0 0.0 3.33 1071 827 A 32 ASN H A 32 ASN HBx 1.0 0.0 3.49 1072 827 A 32 ASN H A 32 ASN HBy 1.0 0.0 3.49 1073 828 A 32 ASN H A 32 ASN HD2y 1.0 0.0 4.43 1074 828 A 32 ASN H A 32 ASN HD2x 1.0 0.0 4.43 1075 829 A 32 ASN HA A 32 ASN HD2y 1.0 0.0 4.43 1076 829 A 32 ASN HA A 32 ASN HD2x 1.0 0.0 4.43 1077 830 A 33 LYS HZ% A 34 ARG HBx 1.0 0.0 4.59 1078 830 A 33 LYS HZ% A 34 ARG HBy 1.0 0.0 4.59 1079 831 A 34 ARG HBx A 34 ARG HDx 1.0 0.0 3.46 1080 831 A 34 ARG HBy A 34 ARG HDx 1.0 0.0 3.46 1081 831 A 34 ARG HDy A 34 ARG HBx 1.0 0.0 3.46 1082 831 A 34 ARG HDy A 34 ARG HBy 1.0 0.0 3.46 1083 832 A 35 LYS H A 34 ARG HBx 1.0 0.0 4.40 1084 832 A 35 LYS H A 34 ARG HBy 1.0 0.0 4.40 1085 833 A 35 LYS H A 35 LYS HBy 1.0 0.0 3.50 1086 833 A 35 LYS H A 35 LYS HBx 1.0 0.0 3.50 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 2 THR C A 3 PHE N A 3 PHE CA A 3 PHE C 1.0 -63.6 -51.2 PHI 2 2 A 3 PHE N A 3 PHE CA A 3 PHE C A 4 ALA N 1.0 -46.6 -33.8 PSI 3 3 A 3 PHE C A 4 ALA N A 4 ALA CA A 4 ALA C 1.0 -69.7 -57.7 PHI 4 4 A 4 ALA N A 4 ALA CA A 4 ALA C A 5 GLU N 1.0 -42.5 -36.3 PSI 5 5 A 4 ALA C A 5 GLU N A 5 GLU CA A 5 GLU C 1.0 -70.1 -59.7 PHI 6 6 A 5 GLU N A 5 GLU CA A 5 GLU C A 6 LEU N 1.0 -51.7 -23.3 PSI 7 7 A 5 GLU C A 6 LEU N A 6 LEU CA A 6 LEU C 1.0 -115.2 -74.8 PHI 8 8 A 6 LEU N A 6 LEU CA A 6 LEU C A 7 GLY N 1.0 -12.4 19.6 PSI 9 9 A 7 GLY C A 8 MET N A 8 MET CA A 8 MET C 1.0 -75.4 -51.0 PHI 10 10 A 8 MET N A 8 MET CA A 8 MET C A 9 ALA N 1.0 -52.6 -23.6 PSI 11 11 A 8 MET C A 9 ALA N A 9 ALA CA A 9 ALA C 1.0 -69.3 -59.5 PHI 12 12 A 9 ALA N A 9 ALA CA A 9 ALA C A 10 PHE N 1.0 -45.8 -35.4 PSI 13 13 A 9 ALA C A 10 PHE N A 10 PHE CA A 10 PHE C 1.0 -68.9 -56.9 PHI 14 14 A 10 PHE N A 10 PHE CA A 10 PHE C A 11 TRP N 1.0 -50.4 -38.4 PSI 15 15 A 10 PHE C A 11 TRP N A 11 TRP CA A 11 TRP C 1.0 -69.2 -54.8 PHI 16 16 A 11 TRP N A 11 TRP CA A 11 TRP C A 12 HIS N 1.0 -50.6 -37.0 PSI 17 17 A 11 TRP C A 12 HIS N A 12 HIS CA A 12 HIS C 1.0 -67.8 -56.0 PHI 18 18 A 12 HIS N A 12 HIS CA A 12 HIS C A 13 ASP N 1.0 -46.9 -40.7 PSI 19 19 A 12 HIS C A 13 ASP N A 13 ASP CA A 13 ASP C 1.0 -70.1 -60.5 PHI 20 20 A 13 ASP N A 13 ASP CA A 13 ASP C A 14 LEU N 1.0 -41.5 -23.3 PSI 21 21 A 13 ASP C A 14 LEU N A 14 LEU CA A 14 LEU C 1.0 -71.7 -58.1 PHI 22 22 A 14 LEU N A 14 LEU CA A 14 LEU C A 15 ALA N 1.0 -52.6 -30.8 PSI 23 23 A 14 LEU C A 15 ALA N A 15 ALA CA A 15 ALA C 1.0 -70.2 -62.2 PHI 24 24 A 15 ALA N A 15 ALA CA A 15 ALA C A 16 ALA N 1.0 -44.9 -36.1 PSI 25 25 A 15 ALA C A 16 ALA N A 16 ALA CA A 16 ALA C 1.0 -58.5 -46.9 PHI 26 26 A 16 ALA N A 16 ALA CA A 16 ALA C A 17 PRO N 1.0 -55.8 -42.8 PSI 27 27 A 17 PRO N A 17 PRO CA A 17 PRO C A 18 VAL N 1.0 -48.7 -18.3 PSI 28 28 A 17 PRO C A 18 VAL N A 18 VAL CA A 18 VAL C 1.0 -69.8 -60.6 PHI 29 29 A 18 VAL N A 18 VAL CA A 18 VAL C A 19 ILE N 1.0 -48.6 -31.0 PSI 30 30 A 18 VAL C A 19 ILE N A 19 ILE CA A 19 ILE C 1.0 -69.8 -57.2 PHI 31 31 A 19 ILE N A 19 ILE CA A 19 ILE C A 20 ALA N 1.0 -51.5 -37.3 PSI 32 32 A 19 ILE C A 20 ALA N A 20 ALA CA A 20 ALA C 1.0 -68.6 -51.0 PHI 33 33 A 20 ALA N A 20 ALA CA A 20 ALA C A 21 GLY N 1.0 -50.2 -34.8 PSI 34 34 A 20 ALA C A 21 GLY N A 21 GLY CA A 21 GLY C 1.0 -70.2 -62.6 PHI 35 35 A 21 GLY N A 21 GLY CA A 21 GLY C A 22 ILE N 1.0 -45.2 -34.4 PSI 36 36 A 21 GLY C A 22 ILE N A 22 ILE CA A 22 ILE C 1.0 -68.0 -59.0 PHI 37 37 A 22 ILE N A 22 ILE CA A 22 ILE C A 23 LEU N 1.0 -48.1 -36.7 PSI 38 38 A 22 ILE C A 23 LEU N A 23 LEU CA A 23 LEU C 1.0 -69.1 -56.1 PHI 39 39 A 23 LEU N A 23 LEU CA A 23 LEU C A 24 ALA N 1.0 -53.3 -35.1 PSI 40 40 A 23 LEU C A 24 ALA N A 24 ALA CA A 24 ALA C 1.0 -64.6 -59.4 PHI 41 41 A 24 ALA N A 24 ALA CA A 24 ALA C A 25 SER N 1.0 -46.8 -35.8 PSI 42 42 A 24 ALA C A 25 SER N A 25 SER CA A 25 SER C 1.0 -65.8 -54.4 PHI 43 43 A 25 SER N A 25 SER CA A 25 SER C A 26 MET N 1.0 -46.9 -32.5 PSI 44 44 A 25 SER C A 26 MET N A 26 MET CA A 26 MET C 1.0 -69.5 -55.3 PHI 45 45 A 26 MET N A 26 MET CA A 26 MET C A 27 ILE N 1.0 -49.0 -35.6 PSI 46 46 A 26 MET C A 27 ILE N A 27 ILE CA A 27 ILE C 1.0 -68.1 -60.5 PHI 47 47 A 27 ILE N A 27 ILE CA A 27 ILE C A 28 VAL N 1.0 -50.1 -36.9 PSI 48 48 A 27 ILE C A 28 VAL N A 28 VAL CA A 28 VAL C 1.0 -67.7 -60.9 PHI 49 49 A 28 VAL C A 29 ASN N A 29 ASN CA A 29 ASN C 1.0 -66.0 -57.6 PHI 50 50 A 29 ASN C A 30 TRP N A 30 TRP CA A 30 TRP C 1.0 -69.6 -59.8 PHI 51 51 A 30 TRP N A 30 TRP CA A 30 TRP C A 31 LEU N 1.0 -49.6 -36.0 PSI 52 52 A 30 TRP C A 31 LEU N A 31 LEU CA A 31 LEU C 1.0 -62.9 -55.3 PHI 53 53 A 31 LEU N A 31 LEU CA A 31 LEU C A 32 ASN N 1.0 -52.8 -28.6 PSI 54 54 A 31 LEU C A 32 ASN N A 32 ASN CA A 32 ASN C 1.0 -74.1 -66.9 PHI 55 55 A 32 ASN N A 32 ASN CA A 32 ASN C A 33 LYS N 1.0 -45.1 -13.5 PSI stop_ save_