data_nef_c18507_2lu3 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 BMRB 18508 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 GLY start . false 2 A 2 ALA middle . . 3 A 3 MET middle . . 4 A 4 GLY middle . false 5 A 5 ILE middle . . 6 A 6 ARG middle . . 7 A 7 ASN middle . . 8 A 8 SER middle . . 9 A 9 ASP middle . . 10 A 10 SER middle . . 11 A 11 VAL middle . . 12 A 12 LYS middle . . 13 A 13 PRO middle . false 14 A 14 THR middle . . 15 A 15 GLN middle . . 16 A 16 GLN middle . . 17 A 17 ALA middle . . 18 A 18 ARG middle . . 19 A 19 PRO middle . false 20 A 20 THR middle . . 21 A 21 VAL middle . . 22 A 22 ILE middle . . 23 A 23 ARG middle . . 24 A 24 TRP middle . . 25 A 25 SER middle . . 26 A 26 GLU middle . . 27 A 27 GLY middle . false 28 A 28 GLY middle . false 29 A 29 LYS middle . . 30 A 30 GLU middle . . 31 A 31 VAL middle . . 32 A 32 PHE middle . . 33 A 33 ILE middle . . 34 A 34 SER middle . . 35 A 35 GLY middle . false 36 A 36 SER middle . . 37 A 37 PHE middle . . 38 A 38 ASN middle . . 39 A 39 ASN middle . . 40 A 40 TRP middle . . 41 A 41 SER middle . . 42 A 42 THR middle . . 43 A 43 LYS middle . . 44 A 44 ILE middle . . 45 A 45 PRO middle . false 46 A 46 LEU middle . . 47 A 47 ILE middle . . 48 A 48 LYS middle . . 49 A 49 SER middle . . 50 A 50 HIS middle . . 51 A 51 ASN middle . . 52 A 52 ASP middle . . 53 A 53 PHE middle . . 54 A 54 VAL middle . . 55 A 55 ALA middle . . 56 A 56 ILE middle . . 57 A 57 LEU middle . . 58 A 58 ASP middle . . 59 A 59 LEU middle . . 60 A 60 PRO middle . false 61 A 61 GLU middle . . 62 A 62 GLY middle . false 63 A 63 GLU middle . . 64 A 64 HIS middle . . 65 A 65 GLN middle . . 66 A 66 TYR middle . . 67 A 67 LYS middle . . 68 A 68 PHE middle . . 69 A 69 PHE middle . . 70 A 70 VAL middle . . 71 A 71 ASP middle . . 72 A 72 GLY middle . false 73 A 73 GLN middle . . 74 A 74 TRP middle . . 75 A 75 VAL middle . . 76 A 76 HIS middle . . 77 A 77 ASP middle . . 78 A 78 PRO middle . false 79 A 79 SER middle . . 80 A 80 GLU middle . . 81 A 81 PRO middle . false 82 A 82 VAL middle . . 83 A 83 VAL middle . . 84 A 84 THR middle . . 85 A 85 SER middle . . 86 A 86 GLN middle . . 87 A 87 LEU middle . . 88 A 88 GLY middle . false 89 A 89 THR middle . . 90 A 90 ILE middle . . 91 A 91 ASN middle . . 92 A 92 ASN middle . . 93 A 93 LEU middle . . 94 A 94 ILE middle . . 95 A 95 HIS middle . . 96 A 96 VAL middle . . 97 A 97 LYS middle . . 98 A 98 LYS middle . . 99 A 99 SER middle . . 100 A 100 ASP middle . . 101 A 101 PHE middle . . 102 A 102 GLU middle . . 103 A 103 VAL middle . . 104 A 104 PHE middle . . 105 A 105 ASP end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_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 GLY HAx H 1 3.665 0.000 A 1 GLY HAy H 1 3.781 0.008 A 1 GLY C C 13 169.326 0.000 A 1 GLY CA C 13 43.431 0.114 A 2 ALA H H 1 8.252 0.002 A 2 ALA HA H 1 4.336 0.001 A 2 ALA HB% H 1 1.365 0.004 A 2 ALA C C 13 177.730 0.000 A 2 ALA CA C 13 52.590 0.024 A 2 ALA CB C 13 19.509 0.171 A 2 ALA N N 15 129.609 0.027 A 3 MET H H 1 8.526 0.004 A 3 MET HA H 1 4.457 0.004 A 3 MET HBx H 1 2.001 0.002 A 3 MET HBy H 1 2.070 0.006 A 3 MET HE1 H 1 1.611 0.000 A 3 MET HE2 H 1 1.756 0.000 A 3 MET HE3 H 1 1.611 0.000 A 3 MET HGx H 1 2.533 0.015 A 3 MET HGy H 1 2.596 0.003 A 3 MET C C 13 176.640 0.000 A 3 MET CA C 13 55.433 0.098 A 3 MET CB C 13 32.141 0.462 A 3 MET CG C 13 32.025 0.097 A 3 MET N N 15 119.597 0.047 A 4 GLY H H 1 8.388 0.001 A 4 GLY HAx H 1 3.924 0.002 A 4 GLY C C 13 173.846 0.000 A 4 GLY CA C 13 45.289 0.002 A 4 GLY N N 15 110.104 0.030 A 5 ILE H H 1 7.995 0.002 A 5 ILE HA H 1 4.142 0.010 A 5 ILE HB H 1 1.824 0.004 A 5 ILE HD1% H 1 0.813 0.007 A 5 ILE HG1y H 1 1.409 0.005 A 5 ILE HG1x H 1 1.135 0.007 A 5 ILE HG2% H 1 0.861 0.004 A 5 ILE C C 13 176.245 0.000 A 5 ILE CA C 13 60.706 0.346 A 5 ILE CB C 13 38.686 0.058 A 5 ILE CD1 C 13 12.919 0.274 A 5 ILE CG1 C 13 27.238 0.128 A 5 ILE CG2 C 13 17.716 0.225 A 5 ILE N N 15 120.177 0.091 A 6 ARG H H 1 8.451 0.017 A 6 ARG HA H 1 4.347 0.018 A 6 ARG HBy H 1 1.834 0.024 A 6 ARG HBx H 1 1.725 0.005 A 6 ARG HDy H 1 3.199 0.001 A 6 ARG HDx H 1 3.149 0.011 A 6 ARG HGy H 1 1.679 0.002 A 6 ARG HGx H 1 1.598 0.012 A 6 ARG C C 13 174.908 0.000 A 6 ARG CA C 13 55.812 0.064 A 6 ARG CB C 13 30.829 0.131 A 6 ARG CD C 13 43.202 0.071 A 6 ARG CG C 13 26.552 0.246 A 6 ARG N N 15 125.295 0.032 A 7 ASN H H 1 8.072 0.003 A 7 ASN HA H 1 4.483 0.002 A 7 ASN HBy H 1 2.794 0.002 A 7 ASN HBx H 1 2.758 0.014 A 7 ASN C C 13 175.993 0.000 A 7 ASN CA C 13 54.699 0.059 A 7 ASN CB C 13 40.744 0.082 A 7 ASN N N 15 125.979 0.088 A 8 SER H H 1 8.363 0.008 A 8 SER C C 13 174.402 0.000 A 8 SER CA C 13 58.678 0.056 A 8 SER CB C 13 63.735 0.135 A 8 SER N N 15 120.939 0.047 A 9 ASP H H 1 8.334 0.006 A 9 ASP HA H 1 4.612 0.009 A 9 ASP HBy H 1 2.675 0.005 A 9 ASP HBx H 1 2.649 0.011 A 9 ASP C C 13 176.302 0.000 A 9 ASP CA C 13 54.667 0.009 A 9 ASP CB C 13 41.092 0.058 A 9 ASP N N 15 122.169 0.049 A 10 SER H H 1 8.130 0.003 A 10 SER HA H 1 4.408 0.011 A 10 SER HBy H 1 4.409 0.000 A 10 SER HBx H 1 3.833 0.008 A 10 SER C C 13 174.338 0.000 A 10 SER CA C 13 58.421 0.162 A 10 SER CB C 13 63.749 0.119 A 10 SER N N 15 115.330 0.083 A 11 VAL H H 1 8.040 0.005 A 11 VAL HA H 1 4.088 0.005 A 11 VAL HB H 1 2.039 0.005 A 11 VAL HGx% H 1 0.880 0.003 A 11 VAL HGy% H 1 0.885 0.005 A 11 VAL C C 13 175.837 0.000 A 11 VAL CA C 13 61.972 0.357 A 11 VAL CB C 13 32.508 0.082 A 11 VAL CGy C 13 21.257 0.168 A 11 VAL CGx C 13 20.722 0.225 A 11 VAL N N 15 121.719 0.035 A 12 LYS H H 1 8.349 0.003 A 12 LYS N N 15 126.544 0.030 A 13 PRO HA H 1 4.459 0.004 A 13 PRO HBy H 1 2.272 0.006 A 13 PRO HBx H 1 1.887 0.007 A 13 PRO HDx H 1 3.622 0.005 A 13 PRO HDy H 1 3.812 0.006 A 13 PRO HGx H 1 1.982 0.004 A 13 PRO C C 13 177.038 0.000 A 13 PRO CA C 13 62.868 0.321 A 13 PRO CB C 13 32.182 0.095 A 13 PRO CD C 13 50.695 0.105 A 13 PRO CG C 13 27.429 0.079 A 14 THR H H 1 8.234 0.004 A 14 THR HA H 1 4.255 0.006 A 14 THR HB H 1 4.160 0.004 A 14 THR HG2% H 1 1.185 0.007 A 14 THR C C 13 174.477 0.000 A 14 THR CA C 13 61.813 0.265 A 14 THR CB C 13 69.675 0.282 A 14 THR CG2 C 13 21.821 0.000 A 14 THR N N 15 114.515 0.094 A 15 GLN H H 1 8.380 0.005 A 15 GLN HA H 1 4.346 0.006 A 15 GLN HBx H 1 1.936 0.005 A 15 GLN HBy H 1 2.044 0.005 A 15 GLN HE2x H 1 6.881 0.000 A 15 GLN HE2y H 1 7.559 0.002 A 15 GLN HGy H 1 2.297 0.010 A 15 GLN HGx H 1 2.293 0.011 A 15 GLN C C 13 175.452 0.000 A 15 GLN CA C 13 55.562 0.099 A 15 GLN CB C 13 29.535 0.612 A 15 GLN CG C 13 33.729 0.129 A 15 GLN N N 15 122.586 0.046 A 15 GLN NE2 N 15 112.371 0.012 A 16 GLN H H 1 8.457 0.004 A 16 GLN HA H 1 4.260 0.006 A 16 GLN HBy H 1 1.982 0.005 A 16 GLN HBx H 1 1.865 0.003 A 16 GLN HGx H 1 2.271 0.007 A 16 GLN C C 13 175.050 0.000 A 16 GLN CA C 13 55.542 0.099 A 16 GLN CB C 13 29.726 0.087 A 16 GLN CG C 13 33.673 0.127 A 16 GLN N N 15 122.137 0.045 A 17 ALA H H 1 8.323 0.006 A 17 ALA HA H 1 4.311 0.006 A 17 ALA HB% H 1 1.137 0.006 A 17 ALA C C 13 176.628 0.000 A 17 ALA CA C 13 51.712 0.095 A 17 ALA CB C 13 19.967 0.227 A 17 ALA N N 15 125.292 0.031 A 18 ARG H H 1 8.591 0.004 A 18 ARG HA H 1 4.621 0.005 A 18 ARG HBy H 1 1.738 0.013 A 18 ARG HBx H 1 1.625 0.004 A 18 ARG HDx H 1 3.089 0.004 A 18 ARG HDy H 1 3.150 0.002 A 18 ARG HGx H 1 1.583 0.013 A 18 ARG CA C 13 53.226 0.049 A 18 ARG CB C 13 30.775 0.070 A 18 ARG CD C 13 42.965 0.189 A 18 ARG CG C 13 26.841 0.110 A 18 ARG N N 15 122.106 0.082 A 19 PRO HA H 1 4.584 0.011 A 19 PRO HBy H 1 2.055 0.008 A 19 PRO HBx H 1 1.626 0.012 A 19 PRO HDx H 1 3.551 0.004 A 19 PRO HDy H 1 3.736 0.005 A 19 PRO HGx H 1 1.903 0.008 A 19 PRO HGy H 1 1.903 0.008 A 19 PRO C C 13 176.098 0.000 A 19 PRO CA C 13 62.961 0.356 A 19 PRO CB C 13 32.145 0.119 A 19 PRO CD C 13 50.838 0.090 A 19 PRO CG C 13 27.088 0.166 A 20 THR H H 1 9.046 0.005 A 20 THR HA H 1 4.228 0.010 A 20 THR HB H 1 3.717 0.003 A 20 THR HG2% H 1 0.941 0.002 A 20 THR C C 13 172.413 0.000 A 20 THR CA C 13 62.891 0.289 A 20 THR CB C 13 71.036 0.196 A 20 THR CG2 C 13 20.893 0.083 A 20 THR N N 15 121.694 0.037 A 21 VAL H H 1 8.572 0.004 A 21 VAL HA H 1 4.547 0.008 A 21 VAL HB H 1 1.902 0.008 A 21 VAL HG1% H 1 0.755 0.009 A 21 VAL C C 13 175.345 0.000 A 21 VAL CA C 13 61.780 0.026 A 21 VAL CB C 13 32.259 0.067 A 21 VAL CGx C 13 21.303 0.245 A 21 VAL N N 15 127.141 0.086 A 22 ILE H H 1 8.913 0.005 A 22 ILE HA H 1 4.293 0.005 A 22 ILE HB H 1 1.455 0.005 A 22 ILE HD1% H 1 0.037 0.035 A 22 ILE HG1y H 1 0.967 0.005 A 22 ILE HG1x H 1 0.885 0.005 A 22 ILE HG2% H 1 0.936 0.005 A 22 ILE C C 13 173.794 0.000 A 22 ILE CA C 13 59.451 0.267 A 22 ILE CB C 13 39.664 0.043 A 22 ILE CD1 C 13 10.967 0.109 A 22 ILE CG1 C 13 27.130 0.091 A 22 ILE CG2 C 13 18.549 0.173 A 22 ILE N N 15 130.341 0.019 A 23 ARG H H 1 8.595 0.004 A 23 ARG HA H 1 5.509 0.009 A 23 ARG HBx H 1 1.580 0.006 A 23 ARG HBy H 1 1.685 0.006 A 23 ARG HDx H 1 3.006 0.013 A 23 ARG HGx H 1 1.384 0.007 A 23 ARG HGy H 1 1.472 0.002 A 23 ARG C C 13 174.125 0.000 A 23 ARG CA C 13 54.005 0.061 A 23 ARG CB C 13 34.584 0.102 A 23 ARG CD C 13 43.282 0.147 A 23 ARG CG C 13 27.459 0.041 A 23 ARG N N 15 125.596 0.070 A 24 TRP H H 1 9.098 0.005 A 24 TRP HA H 1 4.787 0.004 A 24 TRP HBx H 1 2.639 0.010 A 24 TRP HBy H 1 2.837 0.007 A 24 TRP HD1 H 1 6.769 0.003 A 24 TRP HE1 H 1 10.143 0.005 A 24 TRP HE3 H 1 5.854 0.001 A 24 TRP HH2 H 1 6.947 0.004 A 24 TRP HZ2 H 1 7.233 0.005 A 24 TRP HZ3 H 1 6.322 0.001 A 24 TRP C C 13 177.208 0.000 A 24 TRP CA C 13 55.974 0.099 A 24 TRP CB C 13 32.407 0.073 A 24 TRP N N 15 123.124 0.037 A 24 TRP NE1 N 15 129.392 0.023 A 25 SER H H 1 8.837 0.007 A 25 SER HA H 1 4.827 0.010 A 25 SER HBx H 1 3.605 0.004 A 25 SER HBy H 1 3.720 0.004 A 25 SER CA C 13 58.442 0.055 A 25 SER CB C 13 63.993 0.290 A 25 SER N N 15 123.623 0.058 A 26 GLU HA H 1 4.141 0.005 A 26 GLU HBy H 1 2.050 0.007 A 26 GLU HBx H 1 0.957 0.005 A 26 GLU HGy H 1 1.622 0.005 A 26 GLU HGx H 1 1.378 0.006 A 26 GLU C C 13 175.915 0.000 A 26 GLU CA C 13 55.264 0.087 A 26 GLU CB C 13 29.284 0.085 A 26 GLU CG C 13 35.053 0.073 A 27 GLY H H 1 8.434 0.005 A 27 GLY HAx H 1 3.957 0.005 A 27 GLY HAy H 1 4.264 0.008 A 27 GLY C C 13 173.380 0.000 A 27 GLY CA C 13 44.632 0.157 A 27 GLY N N 15 109.186 0.059 A 28 GLY H H 1 7.948 0.005 A 28 GLY HAy H 1 4.067 0.007 A 28 GLY HAx H 1 3.756 0.009 A 28 GLY C C 13 172.572 0.000 A 28 GLY CA C 13 43.697 0.153 A 28 GLY N N 15 106.478 0.022 A 29 LYS H H 1 10.077 0.004 A 29 LYS HA H 1 4.615 0.013 A 29 LYS HBx H 1 1.908 0.007 A 29 LYS HBy H 1 1.908 0.007 A 29 LYS HDx H 1 1.652 0.004 A 29 LYS HDy H 1 1.661 0.005 A 29 LYS HEy H 1 2.959 0.004 A 29 LYS HEx H 1 2.950 0.005 A 29 LYS HGy H 1 1.490 0.009 A 29 LYS HGx H 1 1.398 0.005 A 29 LYS C C 13 177.173 0.000 A 29 LYS CA C 13 57.951 0.089 A 29 LYS CB C 13 33.835 0.062 A 29 LYS CD C 13 29.073 0.069 A 29 LYS CE C 13 41.814 0.151 A 29 LYS CG C 13 25.201 0.068 A 29 LYS N N 15 120.742 0.031 A 30 GLU H H 1 8.810 0.005 A 30 GLU HA H 1 4.197 0.006 A 30 GLU HBx H 1 1.915 0.008 A 30 GLU HBy H 1 1.976 0.012 A 30 GLU HGx H 1 2.086 0.005 A 30 GLU HGy H 1 2.130 0.016 A 30 GLU C C 13 173.541 0.000 A 30 GLU CA C 13 55.980 0.070 A 30 GLU CB C 13 32.473 0.069 A 30 GLU CG C 13 36.831 0.054 A 30 GLU N N 15 121.578 0.053 A 31 VAL H H 1 7.704 0.006 A 31 VAL HA H 1 4.540 0.014 A 31 VAL HB H 1 0.838 0.010 A 31 VAL HGx% H 1 0.353 0.003 A 31 VAL HGy% H 1 -0.416 0.006 A 31 VAL C C 13 173.552 0.000 A 31 VAL CA C 13 61.235 0.242 A 31 VAL CB C 13 35.261 0.071 A 31 VAL CGy C 13 22.545 0.333 A 31 VAL CGx C 13 19.834 0.339 A 31 VAL N N 15 124.182 0.031 A 32 PHE H H 1 8.856 0.006 A 32 PHE HA H 1 5.567 0.009 A 32 PHE HBy H 1 2.808 0.010 A 32 PHE HBx H 1 2.750 0.016 A 32 PHE HDx H 1 7.009 0.002 A 32 PHE HDy H 1 7.009 0.002 A 32 PHE HEx H 1 7.340 0.002 A 32 PHE HEy H 1 7.340 0.002 A 32 PHE C C 13 174.872 0.000 A 32 PHE CA C 13 54.985 0.152 A 32 PHE CB C 13 44.349 0.057 A 32 PHE N N 15 123.930 0.056 A 33 ILE H H 1 9.316 0.005 A 33 ILE HA H 1 5.480 0.003 A 33 ILE HB H 1 1.672 0.004 A 33 ILE HD11 H 1 0.411 0.004 A 33 ILE HD12 H 1 0.785 0.005 A 33 ILE HD13 H 1 0.411 0.004 A 33 ILE HG1y H 1 1.434 0.010 A 33 ILE HG1x H 1 0.963 0.003 A 33 ILE HG21 H 1 0.776 0.005 A 33 ILE HG22 H 1 0.949 0.010 A 33 ILE HG23 H 1 0.776 0.005 A 33 ILE C C 13 174.067 0.000 A 33 ILE CA C 13 59.509 0.241 A 33 ILE CB C 13 43.294 0.037 A 33 ILE CD1 C 13 15.331 0.247 A 33 ILE CG1 C 13 27.969 0.098 A 33 ILE CG2 C 13 17.481 0.158 A 33 ILE N N 15 116.493 0.041 A 34 SER H H 1 8.518 0.004 A 34 SER HA H 1 4.496 0.005 A 34 SER HBx H 1 3.804 0.000 A 34 SER HBy H 1 3.869 0.007 A 34 SER C C 13 170.691 0.000 A 34 SER CA C 13 57.343 0.077 A 34 SER CB C 13 67.249 0.029 A 34 SER N N 15 116.962 0.017 A 35 GLY H H 1 7.200 0.007 A 35 GLY HAy H 1 3.272 0.006 A 35 GLY HAx H 1 1.593 0.004 A 35 GLY C C 13 172.451 0.000 A 35 GLY CA C 13 45.061 0.080 A 35 GLY N N 15 106.806 0.071 A 36 SER H H 1 8.952 0.006 A 36 SER HA H 1 3.388 0.007 A 36 SER HBy H 1 4.259 0.009 A 36 SER HBx H 1 3.897 0.004 A 36 SER C C 13 177.094 0.000 A 36 SER CA C 13 60.882 0.115 A 36 SER CB C 13 61.978 0.388 A 36 SER N N 15 115.550 0.061 A 37 PHE H H 1 6.475 0.003 A 37 PHE HA H 1 4.461 0.004 A 37 PHE HBy H 1 2.947 0.011 A 37 PHE HBx H 1 2.550 0.011 A 37 PHE HDx H 1 6.723 0.002 A 37 PHE HDy H 1 6.723 0.002 A 37 PHE HEx H 1 6.824 0.002 A 37 PHE HEy H 1 6.824 0.002 A 37 PHE HZ H 1 6.580 0.001 A 37 PHE C C 13 175.254 0.000 A 37 PHE CA C 13 56.756 0.067 A 37 PHE CB C 13 37.763 0.047 A 37 PHE N N 15 118.633 0.052 A 38 ASN H H 1 6.610 0.005 A 38 ASN HA H 1 4.940 0.009 A 38 ASN HBy H 1 3.141 0.009 A 38 ASN HBx H 1 2.593 0.005 A 38 ASN HD2x H 1 6.312 0.005 A 38 ASN HD2y H 1 7.509 0.005 A 38 ASN C C 13 175.954 0.000 A 38 ASN CA C 13 51.281 0.119 A 38 ASN CB C 13 37.201 0.061 A 38 ASN N N 15 119.885 0.068 A 38 ASN ND2 N 15 106.420 0.155 A 39 ASN H H 1 7.822 0.005 A 39 ASN HA H 1 4.310 0.003 A 39 ASN HBy H 1 3.091 0.005 A 39 ASN HBx H 1 2.708 0.012 A 39 ASN HD2x H 1 6.875 0.001 A 39 ASN HD2y H 1 7.530 0.019 A 39 ASN C C 13 173.171 0.000 A 39 ASN CA C 13 54.788 0.084 A 39 ASN CB C 13 36.994 0.098 A 39 ASN N N 15 117.264 0.058 A 39 ASN ND2 N 15 112.236 0.186 A 40 TRP H H 1 8.300 0.003 A 40 TRP HA H 1 4.001 0.007 A 40 TRP HBy H 1 3.160 0.005 A 40 TRP HBx H 1 3.086 0.007 A 40 TRP HD1 H 1 6.836 0.002 A 40 TRP HE1 H 1 10.089 0.003 A 40 TRP HE3 H 1 7.017 0.001 A 40 TRP HH2 H 1 6.623 0.004 A 40 TRP HZ2 H 1 7.080 0.002 A 40 TRP HZ3 H 1 6.471 0.002 A 40 TRP C C 13 177.457 0.000 A 40 TRP CA C 13 57.585 0.100 A 40 TRP CB C 13 24.787 0.077 A 40 TRP N N 15 113.463 0.019 A 40 TRP NE1 N 15 128.835 0.023 A 41 SER H H 1 7.549 0.008 A 41 SER HA H 1 4.216 0.018 A 41 SER HBx H 1 3.905 0.009 A 41 SER HBy H 1 3.905 0.009 A 41 SER C C 13 174.913 0.000 A 41 SER CA C 13 60.460 0.256 A 41 SER CB C 13 64.591 0.228 A 41 SER N N 15 113.321 0.082 A 42 THR H H 1 7.088 0.004 A 42 THR HA H 1 4.576 0.003 A 42 THR HB H 1 3.993 0.003 A 42 THR HG2% H 1 1.094 0.004 A 42 THR C C 13 174.798 0.000 A 42 THR CA C 13 59.920 0.271 A 42 THR CB C 13 71.457 0.077 A 42 THR CG2 C 13 21.049 0.162 A 42 THR N N 15 112.097 0.044 A 43 LYS H H 1 8.466 0.011 A 43 LYS HA H 1 4.672 0.006 A 43 LYS HBy H 1 1.386 0.003 A 43 LYS HBx H 1 1.215 0.010 A 43 LYS HDx H 1 0.603 0.005 A 43 LYS HDy H 1 0.603 0.005 A 43 LYS HEy H 1 1.886 0.004 A 43 LYS HEx H 1 1.362 0.013 A 43 LYS HGy H 1 1.290 0.007 A 43 LYS HGx H 1 0.891 0.007 A 43 LYS C C 13 174.839 0.000 A 43 LYS CA C 13 55.293 0.085 A 43 LYS CB C 13 33.338 0.096 A 43 LYS CD C 13 29.104 0.076 A 43 LYS CE C 13 40.419 0.018 A 43 LYS CG C 13 24.705 0.063 A 43 LYS N N 15 122.104 0.010 A 44 ILE H H 1 9.596 0.005 A 44 ILE HA H 1 4.628 0.004 A 44 ILE HB H 1 1.918 0.006 A 44 ILE HD1% H 1 0.899 0.002 A 44 ILE HG1x H 1 1.560 0.005 A 44 ILE HG2% H 1 1.144 0.007 A 44 ILE CA C 13 58.572 0.048 A 44 ILE CB C 13 40.104 0.051 A 44 ILE CD1 C 13 14.590 0.249 A 44 ILE CG2 C 13 16.380 0.337 A 44 ILE N N 15 128.655 0.054 A 45 PRO HA H 1 4.305 0.007 A 45 PRO HBx H 1 1.779 0.014 A 45 PRO HBy H 1 2.084 0.006 A 45 PRO HDx H 1 3.969 0.009 A 45 PRO HDy H 1 4.127 0.005 A 45 PRO HGx H 1 2.148 0.006 A 45 PRO HGy H 1 2.236 0.009 A 45 PRO C C 13 174.315 0.000 A 45 PRO CA C 13 62.731 0.318 A 45 PRO CB C 13 32.246 0.156 A 45 PRO CD C 13 51.082 0.109 A 45 PRO CG C 13 27.177 0.062 A 46 LEU H H 1 8.157 0.006 A 46 LEU HA H 1 4.513 0.006 A 46 LEU HBy H 1 1.776 0.007 A 46 LEU HBx H 1 1.209 0.013 A 46 LEU HD1% H 1 0.866 0.002 A 46 LEU HD2% H 1 0.824 0.005 A 46 LEU HG H 1 1.668 0.006 A 46 LEU CA C 13 55.553 0.108 A 46 LEU CB C 13 42.810 0.035 A 46 LEU CDx C 13 25.298 0.015 A 46 LEU CDy C 13 26.212 0.072 A 46 LEU CG C 13 31.356 0.053 A 46 LEU N N 15 122.198 0.067 A 47 ILE HA H 1 4.350 0.008 A 47 ILE HB H 1 1.836 0.007 A 47 ILE HD1% H 1 0.788 0.005 A 47 ILE HG1x H 1 1.309 0.005 A 47 ILE HG1y H 1 1.433 0.001 A 47 ILE HG2% H 1 0.874 0.006 A 47 ILE C C 13 175.903 0.000 A 47 ILE CA C 13 59.414 0.235 A 47 ILE CB C 13 39.396 0.082 A 47 ILE CD1 C 13 12.574 0.198 A 47 ILE CG1 C 13 27.430 0.165 A 47 ILE CG2 C 13 18.133 0.152 A 48 LYS H H 1 8.661 0.006 A 48 LYS HA H 1 3.906 0.013 A 48 LYS HBy H 1 1.560 0.009 A 48 LYS HBx H 1 1.233 0.009 A 48 LYS HDx H 1 1.239 0.004 A 48 LYS HDy H 1 1.239 0.004 A 48 LYS HEy H 1 2.806 0.008 A 48 LYS HEx H 1 2.719 0.003 A 48 LYS HGx H 1 0.579 0.008 A 48 LYS HGy H 1 0.949 0.005 A 48 LYS C C 13 176.252 0.000 A 48 LYS CA C 13 56.702 0.148 A 48 LYS CB C 13 32.596 0.193 A 48 LYS CD C 13 28.626 0.106 A 48 LYS CE C 13 41.755 0.080 A 48 LYS CG C 13 24.598 0.227 A 48 LYS N N 15 128.033 0.025 A 49 SER H H 1 8.638 0.012 A 49 SER HA H 1 4.367 0.005 A 49 SER HBx H 1 3.497 0.003 A 49 SER HBy H 1 3.497 0.003 A 49 SER CA C 13 56.282 0.010 A 49 SER CB C 13 62.849 0.280 A 49 SER N N 15 122.194 0.094 A 50 HIS HA H 1 4.042 0.004 A 50 HIS HBx H 1 3.182 0.005 A 50 HIS HBy H 1 3.333 0.003 A 50 HIS HD2 H 1 7.002 0.008 A 50 HIS CA C 13 57.984 0.060 A 50 HIS CB C 13 27.897 0.059 A 51 ASN HA H 1 4.715 0.010 A 51 ASN HBy H 1 2.870 0.007 A 51 ASN HBx H 1 2.645 0.010 A 51 ASN HD2x H 1 6.856 0.005 A 51 ASN HD2y H 1 7.584 0.005 A 51 ASN C C 13 174.091 0.000 A 51 ASN CA C 13 53.776 0.070 A 51 ASN CB C 13 39.134 0.123 A 51 ASN ND2 N 15 113.624 0.160 A 52 ASP H H 1 8.031 0.004 A 52 ASP HA H 1 4.962 0.005 A 52 ASP HBy H 1 2.605 0.004 A 52 ASP HBx H 1 2.518 0.008 A 52 ASP C C 13 174.069 0.000 A 52 ASP CA C 13 53.544 0.063 A 52 ASP CB C 13 43.556 0.173 A 52 ASP N N 15 119.149 0.021 A 53 PHE H H 1 8.534 0.004 A 53 PHE HA H 1 5.150 0.006 A 53 PHE HBx H 1 2.859 0.013 A 53 PHE HBy H 1 2.958 0.007 A 53 PHE HDx H 1 7.096 0.002 A 53 PHE HDy H 1 7.096 0.002 A 53 PHE HEx H 1 7.203 0.002 A 53 PHE HEy H 1 7.203 0.002 A 53 PHE HZ H 1 6.767 0.003 A 53 PHE C C 13 175.583 0.000 A 53 PHE CA C 13 57.372 0.070 A 53 PHE CB C 13 41.891 0.125 A 53 PHE N N 15 118.169 0.068 A 54 VAL H H 1 9.324 0.004 A 54 VAL HA H 1 5.325 0.003 A 54 VAL HB H 1 1.863 0.009 A 54 VAL HGx% H 1 0.805 0.002 A 54 VAL CA C 13 60.134 0.334 A 54 VAL CB C 13 36.749 0.040 A 54 VAL CGx C 13 21.485 0.305 A 54 VAL N N 15 118.983 0.051 A 55 ALA HA H 1 4.707 0.004 A 55 ALA HB% H 1 1.190 0.003 A 55 ALA C C 13 174.786 0.000 A 55 ALA CA C 13 50.887 0.122 A 55 ALA CB C 13 21.688 0.178 A 56 ILE H H 1 8.239 0.005 A 56 ILE HA H 1 4.552 0.008 A 56 ILE HB H 1 1.617 0.009 A 56 ILE HD1% H 1 0.763 0.011 A 56 ILE HG1x H 1 1.409 0.006 A 56 ILE HG2% H 1 0.631 0.002 A 56 ILE C C 13 175.419 0.000 A 56 ILE CA C 13 60.922 0.173 A 56 ILE CB C 13 38.491 0.152 A 56 ILE CG1 C 13 27.766 0.130 A 56 ILE CG2 C 13 17.987 0.084 A 56 ILE N N 15 120.457 0.038 A 57 LEU H H 1 8.828 0.005 A 57 LEU HA H 1 4.506 0.003 A 57 LEU HBx H 1 0.762 0.006 A 57 LEU HBy H 1 1.059 0.009 A 57 LEU HD1% H 1 0.099 0.004 A 57 LEU HD2% H 1 0.443 0.008 A 57 LEU HG H 1 1.119 0.008 A 57 LEU C C 13 175.108 0.000 A 57 LEU CA C 13 52.742 0.103 A 57 LEU CB C 13 45.170 0.028 A 57 LEU CDy C 13 25.859 0.040 A 57 LEU CDx C 13 23.657 0.279 A 57 LEU CG C 13 26.677 0.200 A 57 LEU N N 15 127.392 0.073 A 58 ASP H H 1 8.571 0.005 A 58 ASP HA H 1 4.628 0.011 A 58 ASP HBx H 1 2.360 0.005 A 58 ASP HBy H 1 2.360 0.005 A 58 ASP C C 13 175.066 0.000 A 58 ASP CA C 13 52.941 0.096 A 58 ASP CB C 13 39.707 0.107 A 58 ASP N N 15 124.255 0.079 A 59 LEU H H 1 7.681 0.003 A 59 LEU HA H 1 4.535 0.007 A 59 LEU HBx H 1 0.680 0.007 A 59 LEU HBy H 1 1.512 0.006 A 59 LEU HD1% H 1 0.177 0.006 A 59 LEU HD2% H 1 -0.322 0.004 A 59 LEU HG H 1 0.969 0.008 A 59 LEU CA C 13 50.873 0.063 A 59 LEU CB C 13 43.034 0.116 A 59 LEU CDy C 13 24.725 0.003 A 59 LEU CDx C 13 22.428 0.244 A 59 LEU CG C 13 25.767 0.072 A 59 LEU N N 15 124.092 0.023 A 60 PRO HA H 1 4.601 0.010 A 60 PRO HBx H 1 2.070 0.007 A 60 PRO HBy H 1 2.315 0.012 A 60 PRO HDx H 1 3.225 0.006 A 60 PRO HDy H 1 3.784 0.009 A 60 PRO HGy H 1 2.101 0.004 A 60 PRO HGx H 1 2.018 0.016 A 60 PRO C C 13 175.599 0.000 A 60 PRO CA C 13 61.482 0.098 A 60 PRO CB C 13 32.668 0.122 A 60 PRO CD C 13 50.348 0.073 A 60 PRO CG C 13 27.047 0.118 A 61 GLU H H 1 8.500 0.005 A 61 GLU HA H 1 3.859 0.004 A 61 GLU HBx H 1 1.933 0.005 A 61 GLU HBy H 1 1.933 0.005 A 61 GLU HGx H 1 2.150 0.005 A 61 GLU HGy H 1 2.361 0.006 A 61 GLU C C 13 176.121 0.000 A 61 GLU CA C 13 57.458 0.091 A 61 GLU CB C 13 30.249 0.062 A 61 GLU CG C 13 36.591 0.110 A 61 GLU N N 15 119.164 0.031 A 62 GLY H H 1 8.845 0.005 A 62 GLY HAy H 1 4.299 0.005 A 62 GLY HAx H 1 3.664 0.005 A 62 GLY C C 13 171.313 0.000 A 62 GLY CA C 13 43.469 0.130 A 62 GLY N N 15 111.529 0.027 A 63 GLU H H 1 8.015 0.005 A 63 GLU HA H 1 4.782 0.004 A 63 GLU HBx H 1 1.737 0.004 A 63 GLU HBy H 1 1.737 0.004 A 63 GLU HGy H 1 1.848 0.004 A 63 GLU HGx H 1 1.741 0.004 A 63 GLU C C 13 175.530 0.000 A 63 GLU CA C 13 54.978 0.072 A 63 GLU CB C 13 31.383 0.076 A 63 GLU CG C 13 36.910 0.097 A 63 GLU N N 15 119.100 0.049 A 64 HIS H H 1 8.830 0.004 A 64 HIS HA H 1 4.817 0.011 A 64 HIS HBy H 1 2.902 0.010 A 64 HIS HBx H 1 2.855 0.016 A 64 HIS HD2 H 1 6.677 0.012 A 64 HIS HE1 H 1 7.590 0.001 A 64 HIS C C 13 174.358 0.000 A 64 HIS CA C 13 54.970 0.075 A 64 HIS CB C 13 34.109 0.046 A 64 HIS N N 15 121.786 0.026 A 65 GLN H H 1 8.637 0.005 A 65 GLN HA H 1 5.761 0.005 A 65 GLN HBy H 1 2.288 0.009 A 65 GLN HBx H 1 1.955 0.005 A 65 GLN HE2x H 1 6.827 0.005 A 65 GLN HE2y H 1 7.627 0.040 A 65 GLN HGx H 1 2.222 0.007 A 65 GLN HGy H 1 2.628 0.004 A 65 GLN C C 13 175.833 0.000 A 65 GLN CA C 13 53.833 0.095 A 65 GLN CB C 13 32.265 0.057 A 65 GLN CG C 13 34.685 0.105 A 65 GLN N N 15 121.667 0.075 A 65 GLN NE2 N 15 111.538 0.121 A 66 TYR H H 1 8.894 0.004 A 66 TYR HA H 1 5.175 0.007 A 66 TYR HBx H 1 2.873 0.006 A 66 TYR HBy H 1 2.900 0.016 A 66 TYR HDx H 1 6.416 0.002 A 66 TYR HDy H 1 6.416 0.002 A 66 TYR HEx H 1 6.695 0.009 A 66 TYR HEy H 1 6.695 0.009 A 66 TYR C C 13 171.751 0.000 A 66 TYR CA C 13 56.983 0.078 A 66 TYR CB C 13 40.730 0.061 A 66 TYR N N 15 116.908 0.064 A 67 LYS H H 1 8.927 0.009 A 67 LYS HA H 1 4.633 0.007 A 67 LYS HBx H 1 2.332 0.014 A 67 LYS HBy H 1 2.332 0.014 A 67 LYS HDx H 1 1.872 0.006 A 67 LYS HDy H 1 2.175 0.005 A 67 LYS HEx H 1 2.791 0.004 A 67 LYS HEy H 1 3.046 0.003 A 67 LYS HGy H 1 2.276 0.016 A 67 LYS HGx H 1 1.887 0.007 A 67 LYS C C 13 173.317 0.000 A 67 LYS CA C 13 56.876 0.068 A 67 LYS CB C 13 37.200 0.075 A 67 LYS CD C 13 28.012 0.087 A 67 LYS CE C 13 42.799 0.014 A 67 LYS CG C 13 29.500 0.137 A 67 LYS N N 15 118.307 0.043 A 68 PHE H H 1 8.436 0.003 A 68 PHE HA H 1 5.531 0.008 A 68 PHE HBy H 1 2.683 0.011 A 68 PHE HBx H 1 2.284 0.007 A 68 PHE HDx H 1 7.180 0.002 A 68 PHE HDy H 1 7.180 0.002 A 68 PHE HEx H 1 7.536 0.003 A 68 PHE HEy H 1 7.536 0.003 A 68 PHE HZ H 1 7.774 0.003 A 68 PHE C C 13 173.861 0.000 A 68 PHE CA C 13 56.948 0.092 A 68 PHE CB C 13 41.272 0.082 A 68 PHE N N 15 118.691 0.028 A 69 PHE H H 1 9.000 0.004 A 69 PHE HA H 1 4.723 0.006 A 69 PHE HBy H 1 2.372 0.006 A 69 PHE HBx H 1 1.082 0.008 A 69 PHE HDx H 1 5.665 0.007 A 69 PHE HDy H 1 5.665 0.007 A 69 PHE HEx H 1 6.732 0.003 A 69 PHE HEy H 1 6.732 0.003 A 69 PHE HZ H 1 6.888 0.001 A 69 PHE C C 13 174.574 0.000 A 69 PHE CA C 13 55.836 0.091 A 69 PHE CB C 13 40.156 0.100 A 69 PHE N N 15 125.718 0.028 A 70 VAL H H 1 8.688 0.003 A 70 VAL HA H 1 4.323 0.005 A 70 VAL HB H 1 1.518 0.005 A 70 VAL HGx% H 1 0.621 0.004 A 70 VAL HGy% H 1 -0.260 0.008 A 70 VAL C C 13 175.641 0.000 A 70 VAL CA C 13 60.508 0.245 A 70 VAL CB C 13 33.470 0.046 A 70 VAL CGy C 13 20.474 0.275 A 70 VAL CGx C 13 20.185 0.168 A 70 VAL N N 15 126.808 0.049 A 71 ASP H H 1 8.890 0.004 A 71 ASP HA H 1 4.235 0.004 A 71 ASP HBy H 1 2.696 0.008 A 71 ASP HBx H 1 2.499 0.008 A 71 ASP C C 13 176.119 0.000 A 71 ASP CA C 13 55.649 0.102 A 71 ASP CB C 13 39.629 0.087 A 71 ASP N N 15 128.747 0.029 A 72 GLY H H 1 7.437 0.005 A 72 GLY HAy H 1 3.849 0.006 A 72 GLY HAx H 1 2.923 0.005 A 72 GLY C C 13 173.149 0.000 A 72 GLY CA C 13 45.255 0.186 A 72 GLY N N 15 100.856 0.046 A 73 GLN H H 1 6.923 0.004 A 73 GLN HA H 1 4.480 0.007 A 73 GLN HBy H 1 1.956 0.004 A 73 GLN HBx H 1 1.731 0.005 A 73 GLN HE2x H 1 6.819 0.006 A 73 GLN HE2y H 1 7.526 0.010 A 73 GLN HGy H 1 2.213 0.004 A 73 GLN HGx H 1 2.134 0.005 A 73 GLN C C 13 173.981 0.000 A 73 GLN CA C 13 53.285 0.120 A 73 GLN CB C 13 31.910 0.105 A 73 GLN CG C 13 32.938 0.047 A 73 GLN N N 15 117.716 0.064 A 73 GLN NE2 N 15 111.984 0.058 A 74 TRP H H 1 8.836 0.005 A 74 TRP HA H 1 5.813 0.006 A 74 TRP HBx H 1 3.064 0.007 A 74 TRP HBy H 1 3.291 0.004 A 74 TRP HD1 H 1 7.476 0.000 A 74 TRP HE1 H 1 10.036 0.004 A 74 TRP HE3 H 1 7.687 0.002 A 74 TRP HH2 H 1 7.003 0.004 A 74 TRP HZ2 H 1 7.054 0.003 A 74 TRP HZ3 H 1 6.946 0.002 A 74 TRP C C 13 177.239 0.000 A 74 TRP CA C 13 56.788 0.071 A 74 TRP CB C 13 29.918 0.070 A 74 TRP N N 15 123.738 0.054 A 74 TRP NE1 N 15 130.187 0.025 A 75 VAL H H 1 10.049 0.006 A 75 VAL HA H 1 4.986 0.005 A 75 VAL HB H 1 2.309 0.003 A 75 VAL HGx% H 1 0.907 0.006 A 75 VAL HGy% H 1 0.774 0.007 A 75 VAL C C 13 172.903 0.000 A 75 VAL CA C 13 60.625 0.268 A 75 VAL CB C 13 36.654 0.073 A 75 VAL CGy C 13 22.447 0.111 A 75 VAL CGx C 13 21.002 0.232 A 75 VAL N N 15 121.900 0.048 A 76 HIS H H 1 7.758 0.003 A 76 HIS HA H 1 5.578 0.003 A 76 HIS HBy H 1 3.198 0.005 A 76 HIS HBx H 1 2.807 0.007 A 76 HIS HD2 H 1 6.513 0.004 A 76 HIS HE1 H 1 7.802 0.000 A 76 HIS C C 13 173.084 0.000 A 76 HIS CA C 13 54.260 0.058 A 76 HIS CB C 13 32.807 0.053 A 76 HIS N N 15 119.400 0.090 A 77 ASP H H 1 10.717 0.004 A 77 ASP HA H 1 5.104 0.008 A 77 ASP HBy H 1 3.283 0.004 A 77 ASP HBx H 1 2.980 0.008 A 77 ASP CA C 13 50.464 0.069 A 77 ASP CB C 13 42.269 0.080 A 77 ASP N N 15 121.057 0.075 A 78 PRO HA H 1 4.535 0.003 A 78 PRO HBx H 1 2.083 0.011 A 78 PRO HBy H 1 2.299 0.007 A 78 PRO HDy H 1 3.998 0.004 A 78 PRO HDx H 1 3.817 0.007 A 78 PRO HGy H 1 1.908 0.011 A 78 PRO HGx H 1 1.814 0.008 A 78 PRO C C 13 177.387 0.000 A 78 PRO CA C 13 63.597 0.282 A 78 PRO CB C 13 32.326 0.050 A 78 PRO CD C 13 50.960 0.042 A 78 PRO CG C 13 26.780 0.118 A 79 SER H H 1 8.853 0.004 A 79 SER HA H 1 4.477 0.006 A 79 SER HBx H 1 3.861 0.007 A 79 SER HBy H 1 3.999 0.006 A 79 SER C C 13 173.819 0.000 A 79 SER CA C 13 59.369 0.196 A 79 SER CB C 13 63.875 0.080 A 79 SER N N 15 116.058 0.038 A 80 GLU H H 1 7.332 0.003 A 80 GLU HA H 1 4.959 0.005 A 80 GLU HBx H 1 1.809 0.005 A 80 GLU HBy H 1 2.636 0.007 A 80 GLU HGx H 1 2.226 0.006 A 80 GLU HGy H 1 2.700 0.008 A 80 GLU CA C 13 53.401 0.043 A 80 GLU CB C 13 30.620 0.063 A 80 GLU CG C 13 35.123 0.024 A 80 GLU N N 15 122.620 0.035 A 81 PRO HA H 1 4.439 0.005 A 81 PRO HBy H 1 2.364 0.005 A 81 PRO HBx H 1 2.062 0.045 A 81 PRO HDx H 1 4.015 0.004 A 81 PRO HGx H 1 2.199 0.006 A 81 PRO HGy H 1 2.446 0.005 A 81 PRO C C 13 177.020 0.000 A 81 PRO CA C 13 63.696 0.214 A 81 PRO CB C 13 28.219 0.059 A 82 VAL H H 1 8.221 0.004 A 82 VAL HA H 1 5.467 0.004 A 82 VAL HB H 1 1.934 0.004 A 82 VAL HGx% H 1 0.851 0.021 A 82 VAL HGy% H 1 0.770 0.004 A 82 VAL C C 13 175.787 0.000 A 82 VAL CA C 13 58.599 0.068 A 82 VAL CB C 13 36.758 0.066 A 82 VAL CGy C 13 22.771 0.318 A 82 VAL CGx C 13 17.929 0.267 A 82 VAL N N 15 114.720 0.072 A 83 VAL H H 1 8.898 0.004 A 83 VAL HA H 1 4.410 0.009 A 83 VAL HB H 1 1.955 0.011 A 83 VAL HGx% H 1 0.780 0.006 A 83 VAL HGy% H 1 0.833 0.007 A 83 VAL C C 13 173.384 0.000 A 83 VAL CA C 13 59.533 0.388 A 83 VAL CB C 13 35.305 0.101 A 83 VAL CGy C 13 20.964 0.048 A 83 VAL CGx C 13 20.696 0.577 A 83 VAL N N 15 117.999 0.119 A 84 THR H H 1 8.309 0.004 A 84 THR HA H 1 4.751 0.007 A 84 THR HB H 1 3.905 0.007 A 84 THR HG2% H 1 1.105 0.004 A 84 THR C C 13 174.975 0.000 A 84 THR CA C 13 61.446 0.255 A 84 THR CB C 13 68.959 0.214 A 84 THR CG2 C 13 21.248 0.115 A 84 THR N N 15 120.469 0.018 A 85 SER H H 1 9.137 0.006 A 85 SER HA H 1 4.533 0.004 A 85 SER HBy H 1 4.145 0.003 A 85 SER HBx H 1 3.763 0.002 A 85 SER CA C 13 57.027 0.061 A 85 SER CB C 13 65.264 0.258 A 85 SER N N 15 123.544 0.030 A 86 GLN HA H 1 4.092 0.004 A 86 GLN HBx H 1 2.047 0.004 A 86 GLN HGx H 1 2.372 0.006 A 86 GLN C C 13 176.451 0.000 A 86 GLN CA C 13 58.070 0.086 A 86 GLN CB C 13 28.135 0.106 A 86 GLN CG C 13 33.663 0.025 A 87 LEU H H 1 7.692 0.004 A 87 LEU HA H 1 4.259 0.003 A 87 LEU HBy H 1 1.554 0.005 A 87 LEU HBx H 1 1.404 0.009 A 87 LEU HD1% H 1 0.699 0.002 A 87 LEU HD2% H 1 0.682 0.004 A 87 LEU HG H 1 1.448 0.007 A 87 LEU C C 13 177.470 0.000 A 87 LEU CA C 13 54.650 0.064 A 87 LEU CB C 13 41.676 0.042 A 87 LEU CDx C 13 22.787 0.271 A 87 LEU CDy C 13 24.738 0.027 A 87 LEU CG C 13 26.996 0.063 A 87 LEU N N 15 117.032 0.050 A 88 GLY H H 1 7.932 0.003 A 88 GLY HAy H 1 4.127 0.005 A 88 GLY HAx H 1 3.469 0.004 A 88 GLY C C 13 174.029 0.000 A 88 GLY CA C 13 45.262 0.120 A 88 GLY N N 15 107.770 0.025 A 89 THR H H 1 7.148 0.004 A 89 THR HA H 1 4.259 0.006 A 89 THR HB H 1 3.895 0.004 A 89 THR HG2% H 1 0.877 0.007 A 89 THR C C 13 172.837 0.000 A 89 THR CA C 13 60.743 0.083 A 89 THR CB C 13 69.845 0.199 A 89 THR CG2 C 13 21.923 0.030 A 89 THR N N 15 112.596 0.018 A 90 ILE H H 1 8.514 0.006 A 90 ILE HA H 1 4.410 0.005 A 90 ILE HB H 1 1.338 0.007 A 90 ILE HD1% H 1 0.619 0.003 A 90 ILE HG1x H 1 0.882 0.007 A 90 ILE HG1y H 1 1.357 0.002 A 90 ILE HG2% H 1 0.130 0.004 A 90 ILE C C 13 175.007 0.000 A 90 ILE CA C 13 60.551 0.231 A 90 ILE CB C 13 38.935 0.051 A 90 ILE CD1 C 13 12.889 0.275 A 90 ILE CG1 C 13 27.392 0.065 A 90 ILE CG2 C 13 16.847 0.203 A 90 ILE N N 15 123.927 0.065 A 91 ASN H H 1 8.497 0.004 A 91 ASN HA H 1 5.287 0.004 A 91 ASN HBy H 1 3.096 0.007 A 91 ASN HBx H 1 2.366 0.012 A 91 ASN HD2x H 1 6.366 0.005 A 91 ASN HD2y H 1 7.764 0.005 A 91 ASN C C 13 175.916 0.000 A 91 ASN CA C 13 50.976 0.086 A 91 ASN CB C 13 42.176 0.104 A 91 ASN N N 15 123.450 0.072 A 91 ASN ND2 N 15 110.237 0.134 A 92 ASN H H 1 8.721 0.005 A 92 ASN HA H 1 5.611 0.006 A 92 ASN HBy H 1 2.404 0.006 A 92 ASN HBx H 1 1.122 0.005 A 92 ASN HD2x H 1 7.047 0.006 A 92 ASN HD2y H 1 8.126 0.006 A 92 ASN C C 13 173.765 0.000 A 92 ASN CA C 13 54.812 0.088 A 92 ASN CB C 13 41.743 0.100 A 92 ASN N N 15 115.675 0.033 A 92 ASN ND2 N 15 108.312 0.167 A 93 LEU H H 1 7.661 0.005 A 93 LEU HA H 1 5.337 0.004 A 93 LEU HBy H 1 1.425 0.005 A 93 LEU HBx H 1 1.218 0.006 A 93 LEU HD1% H 1 0.777 0.005 A 93 LEU HD2% H 1 0.769 0.003 A 93 LEU HG H 1 1.299 0.005 A 93 LEU C C 13 175.864 0.000 A 93 LEU CA C 13 53.522 0.077 A 93 LEU CB C 13 47.123 0.043 A 93 LEU CDx C 13 24.605 0.218 A 93 LEU CDy C 13 25.619 0.160 A 93 LEU CG C 13 27.410 0.082 A 93 LEU N N 15 120.001 0.033 A 94 ILE H H 1 9.282 0.006 A 94 ILE HA H 1 4.847 0.005 A 94 ILE HB H 1 2.085 0.004 A 94 ILE HD1% H 1 0.771 0.003 A 94 ILE HG1y H 1 1.673 0.007 A 94 ILE HG1x H 1 1.016 0.014 A 94 ILE HG2% H 1 0.932 0.003 A 94 ILE C C 13 172.078 0.000 A 94 ILE CA C 13 59.351 0.223 A 94 ILE CB C 13 42.091 0.053 A 94 ILE CD1 C 13 14.675 0.232 A 94 ILE CG1 C 13 29.318 0.159 A 94 ILE CG2 C 13 16.721 0.316 A 94 ILE N N 15 124.682 0.062 A 95 HIS H H 1 8.690 0.003 A 95 HIS HA H 1 5.110 0.004 A 95 HIS HBy H 1 3.090 0.003 A 95 HIS HBx H 1 2.923 0.005 A 95 HIS HD2 H 1 6.863 0.000 A 95 HIS HE1 H 1 7.979 0.000 A 95 HIS C C 13 174.655 0.000 A 95 HIS CA C 13 54.334 0.103 A 95 HIS CB C 13 31.399 0.111 A 95 HIS N N 15 126.782 0.054 A 96 VAL H H 1 9.082 0.006 A 96 VAL HA H 1 4.115 0.005 A 96 VAL HB H 1 2.392 0.007 A 96 VAL HGx% H 1 0.785 0.005 A 96 VAL HGy% H 1 0.956 0.005 A 96 VAL C C 13 175.515 0.000 A 96 VAL CA C 13 62.502 0.002 A 96 VAL CB C 13 32.332 0.047 A 96 VAL CGx C 13 21.122 0.236 A 96 VAL CGy C 13 22.256 0.233 A 96 VAL N N 15 128.616 0.090 A 97 LYS H H 1 8.708 0.005 A 97 LYS HA H 1 4.550 0.005 A 97 LYS HBy H 1 1.777 0.006 A 97 LYS HBx H 1 1.613 0.006 A 97 LYS HDy H 1 1.571 0.000 A 97 LYS HDx H 1 1.545 0.006 A 97 LYS HEx H 1 2.822 0.005 A 97 LYS HEy H 1 2.822 0.005 A 97 LYS HGx H 1 1.244 0.005 A 97 LYS HGy H 1 1.244 0.005 A 97 LYS C C 13 176.019 0.000 A 97 LYS CA C 13 55.091 0.093 A 97 LYS CB C 13 34.588 0.042 A 97 LYS CD C 13 28.968 0.076 A 97 LYS CE C 13 41.706 0.145 A 97 LYS CG C 13 24.717 0.032 A 97 LYS N N 15 128.692 0.081 A 98 LYS H H 1 8.717 0.004 A 98 LYS HA H 1 4.122 0.005 A 98 LYS HBy H 1 1.751 0.009 A 98 LYS HBx H 1 1.647 0.007 A 98 LYS HDx H 1 1.647 0.002 A 98 LYS HDy H 1 1.647 0.002 A 98 LYS HEx H 1 2.951 0.005 A 98 LYS HEy H 1 2.951 0.005 A 98 LYS HGx H 1 1.392 0.008 A 98 LYS HGy H 1 1.392 0.008 A 98 LYS C C 13 176.947 0.000 A 98 LYS CA C 13 57.232 0.109 A 98 LYS CB C 13 32.849 0.060 A 98 LYS CD C 13 29.095 0.078 A 98 LYS CE C 13 41.707 0.149 A 98 LYS CG C 13 24.715 0.022 A 98 LYS N N 15 122.635 0.022 A 99 SER H H 1 8.393 0.006 A 99 SER HA H 1 4.357 0.009 A 99 SER HBx H 1 3.732 0.004 A 99 SER HBy H 1 3.732 0.004 A 99 SER C C 13 174.335 0.000 A 99 SER CA C 13 58.240 0.107 A 99 SER CB C 13 63.664 0.090 A 99 SER N N 15 116.737 0.045 A 100 ASP H H 1 8.288 0.013 A 100 ASP HA H 1 4.526 0.008 A 100 ASP HBy H 1 2.511 0.011 A 100 ASP HBx H 1 2.485 0.007 A 100 ASP C C 13 175.823 0.000 A 100 ASP CA C 13 54.813 0.065 A 100 ASP CB C 13 40.938 0.072 A 100 ASP N N 15 122.287 0.085 A 101 PHE H H 1 7.923 0.002 A 101 PHE HA H 1 4.575 0.005 A 101 PHE HBx H 1 2.954 0.006 A 101 PHE HBy H 1 3.133 0.005 A 101 PHE HDx H 1 7.210 0.000 A 101 PHE HDy H 1 7.210 0.000 A 101 PHE C C 13 175.279 0.000 A 101 PHE CA C 13 57.462 0.082 A 101 PHE CB C 13 39.557 0.063 A 101 PHE N N 15 118.668 0.051 A 102 GLU H H 1 8.138 0.005 A 102 GLU HA H 1 4.180 0.005 A 102 GLU HBx H 1 1.815 0.005 A 102 GLU HGx H 1 2.017 0.007 A 102 GLU HGy H 1 2.092 0.010 A 102 GLU C C 13 175.388 0.000 A 102 GLU CA C 13 56.308 0.081 A 102 GLU CB C 13 30.585 0.052 A 102 GLU CG C 13 36.279 0.117 A 102 GLU N N 15 122.081 0.069 A 103 VAL H H 1 7.934 0.004 A 103 VAL HA H 1 4.024 0.006 A 103 VAL HB H 1 1.924 0.007 A 103 VAL HGx% H 1 0.817 0.009 A 103 VAL C C 13 175.359 0.000 A 103 VAL CA C 13 61.673 0.189 A 103 VAL CB C 13 33.098 0.122 A 103 VAL CGx C 13 20.897 0.458 A 103 VAL N N 15 120.545 0.082 A 104 PHE H H 1 8.340 0.005 A 104 PHE HA H 1 4.695 0.009 A 104 PHE HBy H 1 3.206 0.005 A 104 PHE HBx H 1 2.873 0.006 A 104 PHE HDx H 1 7.212 0.004 A 104 PHE HDy H 1 7.212 0.004 A 104 PHE C C 13 174.530 0.000 A 104 PHE CA C 13 57.140 0.108 A 104 PHE CB C 13 39.964 0.067 A 104 PHE N N 15 124.359 0.039 A 105 ASP H H 1 7.950 0.003 A 105 ASP HA H 1 4.357 0.003 A 105 ASP HBy H 1 2.618 0.002 A 105 ASP HBx H 1 2.537 0.003 A 105 ASP CA C 13 55.756 0.057 A 105 ASP CB C 13 42.281 0.071 A 105 ASP N N 15 127.042 0.032 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-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 40 TRP HH2 A 67 LYS HBx 1.0 . 3.92 2 1 A 40 TRP HH2 A 67 LYS HBy 1.0 . 3.92 3 2 A 68 PHE HA A 68 PHE HD% 1.0 . 3.56 4 3 A 32 PHE HE% A 69 PHE HD% 1.0 . 4.40 5 4 A 32 PHE HA A 32 PHE HD% 1.0 . 3.64 6 5 A 53 PHE HA A 53 PHE HD% 1.0 . 3.49 7 6 A 35 GLY H A 66 TYR HA 1.0 . 4.21 8 7 A 101 PHE HA A 101 PHE HD% 1.0 . 3.70 9 8 A 32 PHE HD% A 45 PRO HA 1.0 . 3.51 10 9 A 39 ASN HA A 40 TRP HD1 1.0 . 3.11 11 10 A 32 PHE HE% A 45 PRO HA 1.0 . 3.85 12 11 A 32 PHE HE% A 30 GLU HA 1.0 . 4.77 13 12 A 30 GLU HA A 53 PHE HE% 1.0 . 4.00 14 13 A 101 PHE HD% A 102 GLU HA 1.0 . 4.15 15 14 A 24 TRP HZ3 A 77 ASP HA 1.0 . 4.19 16 15 A 40 TRP HD1 A 36 SER HA 1.0 . 3.58 17 16 A 40 TRP HD1 A 40 TRP HA 1.0 . 4.15 18 17 A 40 TRP HA A 40 TRP HE3 1.0 . 3.74 19 18 A 74 TRP HH2 A 34 SER HBy 1.0 . 3.58 20 19 A 74 TRP HH2 A 34 SER HBx 1.0 . 3.58 21 20 A 69 PHE HE% A 73 GLN HA 1.0 . 3.42 22 21 A 37 PHE HD% A 59 LEU HD1% 1.0 . 3.92 23 22 A 37 PHE HD% A 57 LEU HD1% 1.0 . 3.94 24 23 A 53 PHE HD% A 48 LYS HA 1.0 . 4.44 25 24 A 69 PHE HE% A 72 GLY HAy 1.0 . 4.79 26 25 A 37 PHE HD% A 59 LEU HD2% 1.0 . 3.38 27 26 A 24 TRP HD1 A 31 VAL HGy% 1.0 . 3.72 28 27 A 57 LEU HD1% A 37 PHE HZ 1.0 . 3.76 29 28 A 22 ILE HD1% A 66 TYR HE% 1.0 . 3.86 30 29 A 24 TRP HD1 A 31 VAL HGx% 1.0 . 3.72 31 30 A 37 PHE HZ A 33 ILE HD11 1.0 . 3.50 32 31 A 38 ASN HD2y A 44 ILE HD1% 1.0 . 4.15 33 32 A 24 TRP HZ3 A 75 VAL HGy% 1.0 . 3.73 34 33 A 37 PHE HZ A 44 ILE HD1% 1.0 . 3.48 35 34 A 37 PHE HZ A 33 ILE HG21 1.0 . 3.72 36 35 A 22 ILE HG2% A 68 PHE HE% 1.0 . 3.23 37 36 A 68 PHE HE% A 46 LEU HD1% 1.0 . 3.95 38 37 A 68 PHE HE% A 46 LEU HD2% 1.0 . 3.31 39 38 A 33 ILE HD11 A 68 PHE HE% 1.0 . 4.44 40 39 A 75 VAL HGy% A 73 GLN HE2x 1.0 . 5.08 41 40 A 24 TRP HH2 A 75 VAL HGx% 1.0 . 3.92 42 41 A 75 VAL HGy% A 24 TRP HH2 1.0 . 3.21 43 42 A 66 TYR HE% A 92 ASN HBx 1.0 . 3.96 44 43 A 66 TYR HE% A 33 ILE HD11 1.0 . 4.00 45 44 A 24 TRP HH2 A 75 VAL HB 1.0 . 3.96 46 45 A 74 TRP HZ3 A 67 LYS HBx 1.0 . 4.23 47 45 A 67 LYS HBy A 74 TRP HZ3 1.0 . 4.23 48 46 A 40 TRP HH2 A 91 ASN HBx 1.0 . 4.66 49 47 A 40 TRP HZ3 A 67 LYS HBx 1.0 . 3.95 50 47 A 67 LYS HBy A 40 TRP HZ3 1.0 . 3.95 51 48 A 66 TYR HE% A 68 PHE HZ 1.0 . 3.32 52 49 A 66 TYR HE% A 68 PHE HE% 1.0 . 3.22 53 50 A 68 PHE HZ A 66 TYR HD% 1.0 . 4.67 54 51 A 68 PHE HE% A 66 TYR HD% 1.0 . 4.02 55 52 A 69 PHE HE% A 74 TRP HD1 1.0 . 3.80 56 53 A 32 PHE HD% A 69 PHE HE% 1.0 . 3.93 57 54 A 53 PHE HD% A 24 TRP HD1 1.0 . 2.94 58 55 A 66 TYR HD% A 37 PHE HE% 1.0 . 4.33 59 56 A 35 GLY H A 38 ASN HD2y 1.0 . 4.02 60 57 A 74 TRP HE3 A 67 LYS HBx 1.0 . 3.96 61 57 A 67 LYS HBy A 74 TRP HE3 1.0 . 3.96 62 58 A 74 TRP HE3 A 67 LYS HDx 1.0 . 4.47 63 59 A 53 PHE HE% A 48 LYS HDx 1.0 . 3.41 64 59 A 53 PHE HE% A 48 LYS HDy 1.0 . 3.41 65 60 A 32 PHE HD% A 69 PHE HBx 1.0 . 3.99 66 61 A 32 PHE HD% A 43 LYS HBx 1.0 . 3.82 67 62 A 74 TRP HH2 A 43 LYS HGy 1.0 . 4.27 68 63 A 32 PHE HD% A 43 LYS HBy 1.0 . 4.38 69 64 A 74 TRP HH2 A 69 PHE HBy 1.0 . 4.15 70 65 A 74 TRP HH2 A 43 LYS HGx 1.0 . 4.27 71 66 A 32 PHE HD% A 43 LYS HDx 1.0 . 3.98 72 66 A 32 PHE HD% A 43 LYS HDy 1.0 . 3.98 73 67 A 74 TRP HH2 A 43 LYS HDx 1.0 . 4.33 74 67 A 74 TRP HH2 A 43 LYS HDy 1.0 . 4.33 75 68 A 66 TYR HD% A 94 ILE HG2% 1.0 . 3.05 76 69 A 33 ILE HD11 A 66 TYR HD% 1.0 . 3.41 77 70 A 33 ILE HD11 A 66 TYR HD% 1.0 . 3.96 78 71 A 22 ILE HD1% A 66 TYR HD% 1.0 . 3.87 79 72 A 53 PHE HD% A 48 LYS HDx 1.0 . 4.03 80 72 A 53 PHE HD% A 48 LYS HDy 1.0 . 4.03 81 73 A 53 PHE HD% A 31 VAL HB 1.0 . 4.01 82 74 A 53 PHE HD% A 31 VAL HGx% 1.0 . 3.86 83 75 A 53 PHE HD% A 31 VAL HGy% 1.0 . 3.86 84 76 A 53 PHE HE% A 48 LYS HGx 1.0 . 4.20 85 77 A 68 PHE HD% A 22 ILE HG2% 1.0 . 4.52 86 78 A 68 PHE HD% A 46 LEU HD1% 1.0 . 3.49 87 79 A 68 PHE HD% A 46 LEU HD2% 1.0 . 3.49 88 80 A 68 PHE HD% A 75 VAL HGy% 1.0 . 4.05 89 81 A 68 PHE HD% A 70 VAL HGy% 1.0 . 4.23 90 82 A 66 TYR HD% A 65 GLN HA 1.0 . 4.14 91 83 A 66 TYR HD% A 93 LEU HA 1.0 . 4.15 92 84 A 66 TYR HA A 66 TYR HD% 1.0 . 3.93 93 85 A 40 TRP HH2 A 66 TYR HA 1.0 . 4.01 94 86 A 66 TYR HA A 37 PHE HE% 1.0 . 4.12 95 87 A 95 HIS HA A 95 HIS HD2 1.0 . 4.50 96 88 A 68 PHE HD% A 76 HIS HA 1.0 . 3.43 97 89 A 37 PHE HD% A 37 PHE HZ 1.0 . 3.84 98 90 A 40 TRP HE3 A 40 TRP HBx 1.0 . 3.96 99 91 A 40 TRP HD1 A 40 TRP HBy 1.0 . 3.65 100 92 A 24 TRP HD1 A 53 PHE HBx 1.0 . 3.68 101 93 A 24 TRP HD1 A 53 PHE HBy 1.0 . 4.25 102 94 A 68 PHE HD% A 68 PHE HZ 1.0 . 3.98 103 95 A 35 GLY H A 38 ASN HD2x 1.0 . 3.09 104 96 A 74 TRP HD1 A 74 TRP HBy 1.0 . 3.88 105 97 A 74 TRP HD1 A 74 TRP HBx 1.0 . 3.62 106 98 A 66 TYR HE% A 94 ILE HB 1.0 . 3.21 107 99 A 66 TYR HD% A 94 ILE HB 1.0 . 4.02 108 100 A 76 HIS HD2 A 82 VAL HB 1.0 . 4.26 109 101 A 69 PHE HE% A 43 LYS HEy 1.0 . 4.84 110 102 A 40 TRP HH2 A 67 LYS HDy 1.0 . 4.48 111 103 A 40 TRP HZ3 A 67 LYS HGx 1.0 . 4.83 112 104 A 40 TRP HZ3 A 67 LYS HDy 1.0 . 5.11 113 105 A 69 PHE HZ A 43 LYS HEy 1.0 . 5.50 114 106 A 95 HIS HD2 A 63 GLU HGy 1.0 . 5.50 115 107 A 95 HIS HD2 A 63 GLU HBx 1.0 . 4.85 116 107 A 95 HIS HD2 A 63 GLU HBy 1.0 . 4.85 117 108 A 95 HIS HD2 A 63 GLU HGx 1.0 . 5.50 118 109 A 66 TYR HD% A 33 ILE HB 1.0 . 4.55 119 110 A 59 LEU HBy A 64 HIS HD2 1.0 . 4.48 120 111 A 69 PHE HE% A 43 LYS HEx 1.0 . 4.84 121 112 A 32 PHE HE% A 30 GLU HGx 1.0 . 3.96 122 113 A 32 PHE HD% A 30 GLU HGx 1.0 . 4.94 123 114 A 32 PHE HE% A 30 GLU HGy 1.0 . 3.33 124 115 A 32 PHE HD% A 30 GLU HGy 1.0 . 4.02 125 116 A 24 TRP HZ2 A 26 GLU HBy 1.0 . 3.64 126 117 A 32 PHE HE% A 30 GLU HBy 1.0 . 4.05 127 118 A 40 TRP HZ2 A 65 GLN HBx 1.0 . 3.73 128 119 A 32 PHE HE% A 30 GLU HBx 1.0 . 4.05 129 120 A 74 TRP HZ2 A 43 LYS HEy 1.0 . 3.98 130 121 A 74 TRP HZ3 A 67 LYS HGx 1.0 . 4.45 131 122 A 32 PHE HE% A 45 PRO HBy 1.0 . 4.58 132 123 A 53 PHE HD% A 46 LEU HBy 1.0 . 4.17 133 124 A 68 PHE HD% A 33 ILE HB 1.0 . 4.21 134 125 A 53 PHE HD% A 48 LYS HBy 1.0 . 4.20 135 126 A 101 PHE HD% A 98 LYS HGx 1.0 . 5.07 136 126 A 101 PHE HD% A 98 LYS HGy 1.0 . 5.07 137 127 A 32 PHE HE% A 43 LYS HBx 1.0 . 4.42 138 128 A 74 TRP HZ2 A 43 LYS HEx 1.0 . 3.98 139 129 A 64 HIS HE1 A 60 PRO HGy 1.0 . 3.81 140 130 A 64 HIS HE1 A 60 PRO HGx 1.0 . 3.81 141 131 A 74 TRP HE3 A 67 LYS HGx 1.0 . 3.77 142 132 A 68 PHE HE% A 33 ILE HB 1.0 . 4.37 143 133 A 76 HIS HE1 A 90 ILE HB 1.0 . 3.72 144 134 A 76 HIS HD2 A 90 ILE HG2% 1.0 . 3.95 145 135 A 76 HIS HD2 A 82 VAL HGx% 1.0 . 2.79 146 136 A 76 HIS HD2 A 82 VAL HGy% 1.0 . 3.43 147 137 A 22 ILE HD1% A 68 PHE HE% 1.0 . 4.38 148 138 A 22 ILE HG2% A 68 PHE HZ 1.0 . 3.24 149 139 A 76 HIS HE1 A 90 ILE HG1y 1.0 . 4.02 150 140 A 46 LEU HD2% A 68 PHE HZ 1.0 . 4.51 151 141 A 33 ILE HD11 A 68 PHE HZ 1.0 . 5.50 152 142 A 76 HIS HE1 A 82 VAL HGy% 1.0 . 5.50 153 143 A 76 HIS HE1 A 90 ILE HG2% 1.0 . 3.39 154 144 A 70 VAL HGy% A 24 TRP HZ2 1.0 . 3.77 155 145 A 59 LEU HD2% A 64 HIS HE1 1.0 . 4.91 156 146 A 38 ASN HD2x A 35 GLY HAx 1.0 . 4.20 157 147 A 64 HIS HE1 A 60 PRO HDx 1.0 . 3.73 158 148 A 68 PHE HE% A 24 TRP HBx 1.0 . 4.40 159 149 A 64 HIS HE1 A 60 PRO HDy 1.0 . 4.56 160 150 A 76 HIS HD2 A 76 HIS HBy 1.0 . 3.79 161 151 A 76 HIS HD2 A 76 HIS HBx 1.0 . 3.97 162 152 A 76 HIS HD2 A 78 PRO HBy 1.0 . 4.41 163 153 A 76 HIS HD2 A 78 PRO HA 1.0 . 3.24 164 154 A 76 HIS HA A 76 HIS HD2 1.0 . 4.52 165 155 A 73 GLN HA A 74 TRP HD1 1.0 . 4.25 166 156 A 74 TRP HE3 A 67 LYS HEx 1.0 . 4.62 167 157 A 36 SER HA A 40 TRP HZ2 1.0 . 4.82 168 158 A 76 HIS HBy A 92 ASN HD2x 1.0 . 4.21 169 159 A 74 TRP HZ2 A 34 SER HBy 1.0 . 4.76 170 160 A 74 TRP HZ2 A 34 SER HBx 1.0 . 4.76 171 161 A 53 PHE HD% A 24 TRP HBy 1.0 . 4.33 172 162 A 40 TRP HZ2 A 91 ASN HBy 1.0 . 4.47 173 163 A 68 PHE HE% A 76 HIS HA 1.0 . 5.09 174 164 A 68 PHE HA A 68 PHE HE% 1.0 . 4.41 175 165 A 74 TRP HD1 A 74 TRP HA 1.0 . 4.33 176 166 A 32 PHE HE% A 32 PHE HA 1.0 . 4.88 177 167 A 32 PHE HD% A 31 VAL H 1.0 . 4.79 178 168 A 74 TRP HZ3 A 40 TRP HZ3 1.0 . 4.40 179 169 A 65 GLN HA A 40 TRP HZ2 1.0 . 4.96 180 170 A 74 TRP HZ3 A 33 ILE HA 1.0 . 4.55 181 171 A 32 PHE HE% A 69 PHE HE% 1.0 . 4.59 182 172 A 68 PHE HD% A 66 TYR HD% 1.0 . 4.40 183 173 A 66 TYR HE% A 93 LEU HA 1.0 . 4.33 184 174 A 66 TYR HA A 40 TRP HZ3 1.0 . 4.36 185 175 A 24 TRP HH2 A 70 VAL HGy% 1.0 . 4.45 186 176 A 24 TRP HD1 A 70 VAL HGy% 1.0 . 4.43 187 177 A 59 LEU HD2% A 37 PHE HE% 1.0 . 4.10 188 178 A 59 LEU HD1% A 37 PHE HE% 1.0 . 4.42 189 179 A 57 LEU HD1% A 37 PHE HE% 1.0 . 3.63 190 180 A 22 ILE HD1% A 37 PHE HE% 1.0 . 4.62 191 181 A 59 LEU HD1% A 64 HIS HD2 1.0 . 3.40 192 182 A 24 TRP HZ2 A 70 VAL HGx% 1.0 . 3.86 193 183 A 53 PHE HE% A 48 LYS HGy 1.0 . 4.40 194 184 A 24 TRP HZ2 A 26 GLU HBx 1.0 . 3.64 195 185 A 75 VAL HGx% A 24 TRP HZ2 1.0 . 4.27 196 186 A 75 VAL HGy% A 24 TRP HZ2 1.0 . 3.37 197 187 A 75 VAL HB A 24 TRP HZ2 1.0 . 4.67 198 188 A 38 ASN HD2y A 35 GLY HAx 1.0 . 5.50 199 189 A 92 ASN HBx A 66 TYR HD% 1.0 . 4.38 200 190 A 40 TRP HD1 A 39 ASN HBy 1.0 . 5.16 201 191 A 66 TYR HE% A 92 ASN HBy 1.0 . 3.98 202 192 A 64 HIS HD2 A 96 VAL HB 1.0 . 4.63 203 193 A 33 ILE HD11 A 37 PHE HE% 1.0 . 3.65 204 194 A 24 TRP HD1 A 70 VAL HGx% 1.0 . 4.34 205 195 A 69 PHE HE% A 43 LYS HDx 1.0 . 4.25 206 195 A 69 PHE HE% A 43 LYS HDy 1.0 . 4.25 207 196 A 44 ILE HD1% A 37 PHE HE% 1.0 . 3.11 208 197 A 95 HIS HD2 A 93 LEU HD1% 1.0 . 5.30 209 198 A 95 HIS HD2 A 93 LEU HD2% 1.0 . 5.30 210 199 A 24 TRP HD1 A 31 VAL HB 1.0 . 4.65 211 200 A 24 TRP HD1 A 46 LEU HD2% 1.0 . 4.86 212 201 A 94 ILE HG2% A 64 HIS HD2 1.0 . 2.76 213 202 A 74 TRP HZ2 A 43 LYS HDx 1.0 . 3.97 214 202 A 43 LYS HDy A 74 TRP HZ2 1.0 . 3.97 215 203 A 53 PHE HD% A 48 LYS HGy 1.0 . 4.29 216 204 A 74 TRP HZ3 A 43 LYS HDx 1.0 . 4.71 217 204 A 74 TRP HZ3 A 43 LYS HDy 1.0 . 4.71 218 205 A 32 PHE HE% A 43 LYS HDx 1.0 . 4.52 219 205 A 32 PHE HE% A 43 LYS HDy 1.0 . 4.52 220 206 A 37 PHE HZ A 34 SER HA 1.0 . 4.39 221 207 A 37 PHE HD% A 35 GLY HAx 1.0 . 4.39 222 208 A 37 PHE HD% A 38 ASN HBy 1.0 . 4.25 223 209 A 64 HIS HE1 A 60 PRO HBx 1.0 . 4.32 224 210 A 59 LEU HD2% A 64 HIS HD2 1.0 . 4.89 225 211 A 22 ILE HD1% A 68 PHE HZ 1.0 . 4.57 226 212 A 66 TYR HD% A 92 ASN HBy 1.0 . 4.51 227 213 A 37 PHE HE% A 66 TYR HBy 1.0 . 3.79 228 214 A 37 PHE HE% A 35 GLY HAx 1.0 . 4.11 229 215 A 53 PHE HD% A 48 LYS HGx 1.0 . 4.63 230 216 A 82 VAL HGy% A 92 ASN HD2x 1.0 . 4.92 231 217 A 40 TRP HZ2 A 65 GLN HBy 1.0 . 3.70 232 218 A 68 PHE HD% A 66 TYR HE% 1.0 . 4.06 233 219 A 69 PHE HD% A 32 PHE HD% 1.0 . 3.26 234 220 A 69 PHE HD% A 69 PHE HZ 1.0 . 3.88 235 221 A 69 PHE HD% A 74 TRP HD1 1.0 . 3.95 236 222 A 69 PHE HD% A 74 TRP HE3 1.0 . 4.43 237 223 A 69 PHE HD% A 74 TRP HA 1.0 . 3.89 238 224 A 74 TRP HE3 A 74 TRP HA 1.0 . 3.70 239 225 A 69 PHE HD% A 43 LYS HEy 1.0 . 4.49 240 226 A 69 PHE HD% A 32 PHE HBx 1.0 . 4.64 241 227 A 69 PHE HD% A 32 PHE HBy 1.0 . 4.27 242 228 A 69 PHE HD% A 43 LYS HDx 1.0 . 3.71 243 228 A 69 PHE HD% A 43 LYS HDy 1.0 . 3.71 244 229 A 69 PHE HD% A 73 GLN HA 1.0 . 4.28 245 230 A 68 PHE HE% A 24 TRP HE3 1.0 . 4.14 246 231 A 68 PHE HD% A 24 TRP HE3 1.0 . 4.16 247 232 A 68 PHE HZ A 24 TRP HE3 1.0 . 4.85 248 233 A 40 TRP HZ3 A 67 LYS HDx 1.0 . 5.18 249 234 A 77 ASP HA A 24 TRP HH2 1.0 . 4.76 250 235 A 68 PHE HA A 74 TRP HZ3 1.0 . 4.73 251 236 A 74 TRP HZ3 A 69 PHE HBy 1.0 . 5.19 252 237 A 38 ASN HD2y A 34 SER HBx 1.0 . 4.94 253 238 A 24 TRP HZ3 A 75 VAL HB 1.0 . 5.46 254 239 A 24 TRP HZ3 A 68 PHE HBx 1.0 . 5.02 255 240 A 24 TRP HZ3 A 68 PHE HBy 1.0 . 4.91 256 241 A 24 TRP HZ3 A 76 HIS H 1.0 . 5.13 257 242 A 24 TRP HZ3 A 76 HIS HA 1.0 . 4.90 258 243 A 66 TYR HD% A 33 ILE HA 1.0 . 4.65 259 244 A 66 TYR HD% A 35 GLY HAx 1.0 . 5.07 260 245 A 40 TRP HZ3 A 40 TRP HBx 1.0 . 5.34 261 246 A 40 TRP HZ3 A 91 ASN HBy 1.0 . 5.50 262 247 A 37 PHE HZ A 33 ILE HB 1.0 . 5.31 263 248 A 24 TRP HZ3 A 70 VAL HGy% 1.0 . 4.90 264 249 A 59 LEU HD2% A 37 PHE HZ 1.0 . 5.08 265 250 A 37 PHE HZ A 22 ILE HD1% 1.0 . 5.26 266 251 A 57 LEU HD1% A 66 TYR HD% 1.0 . 5.50 267 252 A 59 LEU HD1% A 66 TYR HD% 1.0 . 5.40 268 253 A 68 PHE HE% A 55 ALA HB% 1.0 . 4.72 269 254 A 68 PHE HE% A 92 ASN HBx 1.0 . 5.50 270 255 A 59 LEU HD1% A 64 HIS HE1 1.0 . 5.10 271 256 A 64 HIS HE1 A 96 VAL HGy% 1.0 . 4.32 272 257 A 35 GLY HAx A 38 ASN H 1.0 . 5.07 273 258 A 40 TRP HH2 A 35 GLY HAx 1.0 . 5.50 274 259 A 40 TRP HH2 A 91 ASN HBy 1.0 . 4.75 275 260 A 37 PHE HZ A 66 TYR HBy 1.0 . 5.10 276 261 A 37 PHE HZ A 66 TYR HBx 1.0 . 5.35 277 262 A 69 PHE HZ A 43 LYS HEx 1.0 . 5.50 278 263 A 68 PHE HE% A 70 VAL HGy% 1.0 . 5.50 279 264 A 69 PHE HD% A 74 TRP HZ2 1.0 . 4.50 280 265 A 98 LYS HA A 61 GLU HBx 1.0 . 4.15 281 265 A 61 GLU HBy A 98 LYS HA 1.0 . 4.15 282 266 A 96 VAL HGx% A 61 GLU HBx 1.0 . 3.86 283 266 A 61 GLU HBy A 96 VAL HGx% 1.0 . 3.86 284 267 A 87 LEU HBx A 89 THR HG2% 1.0 . 4.59 285 268 A 96 VAL HGx% A 97 LYS HEx 1.0 . 5.50 286 268 A 96 VAL HGx% A 97 LYS HEy 1.0 . 5.50 287 269 A 75 VAL HGy% A 68 PHE HBx 1.0 . 4.35 288 270 A 69 PHE HD% A 43 LYS HEx 1.0 . 4.49 289 271 A 43 LYS HA A 43 LYS HEy 1.0 . 5.50 290 272 A 44 ILE HB A 57 LEU HD2% 1.0 . 4.65 291 273 A 33 ILE HD11 A 22 ILE HB 1.0 . 4.88 292 274 A 23 ARG HA A 54 VAL HB 1.0 . 5.31 293 275 A 95 HIS HA A 63 GLU HGy 1.0 . 4.68 294 276 A 95 HIS HA A 63 GLU HGx 1.0 . 4.68 295 277 A 61 GLU HA A 61 GLU HGy 1.0 . 4.01 296 278 A 82 VAL HB A 90 ILE HB 1.0 . 4.86 297 279 A 93 LEU HG A 63 GLU HGy 1.0 . 5.25 298 280 A 44 ILE HD1% A 42 THR HB 1.0 . 4.77 299 281 A 20 THR HB A 57 LEU HBx 1.0 . 5.00 300 282 A 31 VAL HB A 46 LEU HBx 1.0 . 4.70 301 283 A 14 THR HB A 14 THR HG1 1.0 . 2.85 302 284 A 65 GLN HGy A 93 LEU HD1% 1.0 . 4.42 303 285 A 83 VAL HA A 84 THR HB 1.0 . 5.47 304 286 A 94 ILE HG2% A 64 HIS HBy 1.0 . 4.05 305 287 A 94 ILE HG2% A 64 HIS HBx 1.0 . 4.19 306 288 A 75 VAL HGx% A 70 VAL HB 1.0 . 4.31 307 289 A 75 VAL HGy% A 70 VAL HB 1.0 . 3.99 308 290 A 75 VAL HGx% A 73 GLN HGy 1.0 . 4.20 309 291 A 75 VAL HGx% A 73 GLN HGx 1.0 . 4.20 310 292 A 64 HIS HE1 A 60 PRO HBy 1.0 . 4.78 311 293 A 32 PHE HE% A 45 PRO HBx 1.0 . 4.58 312 294 A 43 LYS HA A 34 SER HBx 1.0 . 4.65 313 295 A 43 LYS HA A 34 SER HBy 1.0 . 4.65 314 296 A 91 ASN HBy A 65 GLN HBy 1.0 . 5.02 315 297 A 46 LEU HD2% A 24 TRP HBx 1.0 . 4.90 316 298 A 40 TRP HA A 34 SER HBx 1.0 . 4.63 317 299 A 40 TRP HA A 34 SER HBy 1.0 . 4.63 318 300 A 75 VAL HGx% A 73 GLN HBy 1.0 . 4.18 319 301 A 75 VAL HGx% A 73 GLN HBx 1.0 . 4.63 320 302 A 46 LEU HA A 46 LEU HG 1.0 . 4.04 321 303 A 95 HIS HBy A 63 GLU HBx 1.0 . 5.50 322 303 A 63 GLU HBy A 95 HIS HBy 1.0 . 5.50 323 304 A 63 GLU HBy A 95 HIS HBx 1.0 . 5.50 324 304 A 63 GLU HBx A 95 HIS HBx 1.0 . 5.50 325 305 A 93 LEU HA A 93 LEU HG 1.0 . 4.18 326 306 A 101 PHE HA A 102 GLU HA 1.0 . 5.06 327 307 A 55 ALA HB% A 46 LEU HG 1.0 . 3.64 328 308 A 40 TRP HH2 A 67 LYS HDx 1.0 . 5.37 329 309 A 69 PHE HBy A 74 TRP HA 1.0 . 5.32 330 310 A 75 VAL HGy% A 74 TRP HA 1.0 . 5.22 331 311 A 67 LYS HGx A 74 TRP HA 1.0 . 5.03 332 312 A 75 VAL HGx% A 74 TRP HA 1.0 . 5.22 333 313 A 67 LYS HEx A 74 TRP HA 1.0 . 5.00 334 314 A 67 LYS HGy A 91 ASN HA 1.0 . 4.90 335 315 A 67 LYS HGx A 91 ASN HA 1.0 . 4.80 336 316 A 39 ASN HBy A 41 SER HBx 1.0 . 4.72 337 316 A 39 ASN HBy A 41 SER HBy 1.0 . 4.72 338 317 A 10 SER HA A 11 VAL HGx% 1.0 . 5.47 339 318 A 10 SER HA A 11 VAL HGy% 1.0 . 5.47 340 319 A 37 PHE HD% A 38 ASN HA 1.0 . 4.75 341 320 A 37 PHE HD% A 38 ASN HBx 1.0 . 4.26 342 321 A 68 PHE HE% A 24 TRP HA 1.0 . 4.99 343 322 A 20 THR HB A 57 LEU HBy 1.0 . 5.50 344 323 A 59 LEU HD2% A 57 LEU HBy 1.0 . 4.97 345 324 A 59 LEU HD1% A 57 LEU HBy 1.0 . 5.31 346 325 A 56 ILE HG2% A 58 ASP HA 1.0 . 5.10 347 326 A 76 HIS HD2 A 78 PRO HBx 1.0 . 5.50 348 327 A 62 GLY HAy A 61 GLU HGy 1.0 . 5.50 349 328 A 62 GLY HAy A 61 GLU HGx 1.0 . 5.50 350 329 A 62 GLY HAy A 61 GLU HBx 1.0 . 5.05 351 329 A 61 GLU HBy A 62 GLY HAy 1.0 . 5.05 352 330 A 62 GLY HAy A 63 GLU HBx 1.0 . 5.04 353 330 A 63 GLU HBy A 62 GLY HAy 1.0 . 5.04 354 331 A 69 PHE HBy A 32 PHE HBy 1.0 . 4.95 355 332 A 69 PHE HE% A 72 GLY HAx 1.0 . 4.79 356 333 A 74 TRP HA A 67 LYS HBx 1.0 . 5.50 357 333 A 67 LYS HBy A 74 TRP HA 1.0 . 5.50 358 334 A 74 TRP HBx A 67 LYS HGx 1.0 . 5.24 359 335 A 75 VAL HB A 70 VAL HGy% 1.0 . 5.02 360 336 A 76 HIS HA A 90 ILE HG2% 1.0 . 5.50 361 337 A 64 HIS HE1 A 59 LEU HA 1.0 . 4.98 362 338 A 90 ILE HB A 84 THR HG2% 1.0 . 5.07 363 339 A 91 ASN HA A 67 LYS HA 1.0 . 5.13 364 340 A 91 ASN HA A 92 ASN HA 1.0 . 5.21 365 341 A 91 ASN HBy A 83 VAL HGx% 1.0 . 4.28 366 342 A 93 LEU HA A 65 GLN HGx 1.0 . 4.81 367 343 A 65 GLN HA A 93 LEU HBx 1.0 . 5.50 368 344 A 81 PRO HA A 93 LEU HBy 1.0 . 5.50 369 345 A 39 ASN HBx A 41 SER HBx 1.0 . 4.73 370 345 A 41 SER HBy A 39 ASN HBx 1.0 . 4.73 371 346 A 32 PHE HBx A 43 LYS HDx 1.0 . 4.66 372 346 A 43 LYS HDy A 32 PHE HBx 1.0 . 4.66 373 347 A 32 PHE HBy A 43 LYS HDx 1.0 . 4.62 374 347 A 43 LYS HDy A 32 PHE HBy 1.0 . 4.62 375 348 A 69 PHE HBy A 43 LYS HDx 1.0 . 4.38 376 348 A 69 PHE HBy A 43 LYS HDy 1.0 . 4.38 377 349 A 94 ILE HG2% A 94 ILE HG1x 1.0 . 3.53 378 350 A 96 VAL HGy% A 94 ILE HG1x 1.0 . 4.09 379 351 A 82 VAL HGy% A 81 PRO HA 1.0 . 4.04 380 352 A 82 VAL HGx% A 78 PRO HA 1.0 . 3.93 381 353 A 82 VAL HGy% A 78 PRO HA 1.0 . 4.53 382 354 A 32 PHE HA A 45 PRO HA 1.0 . 3.80 383 355 A 80 GLU HA A 81 PRO HBx 1.0 . 5.00 384 356 A 19 PRO HA A 20 THR HA 1.0 . 4.95 385 357 A 20 THR HA A 21 VAL HA 1.0 . 5.32 386 358 A 19 PRO HA A 58 ASP HBx 1.0 . 5.00 387 358 A 19 PRO HA A 58 ASP HBy 1.0 . 5.00 388 359 A 67 LYS HDx A 67 LYS HBx 1.0 . 3.73 389 359 A 67 LYS HBy A 67 LYS HDx 1.0 . 3.73 390 360 A 93 LEU HBy A 81 PRO HBy 1.0 . 4.21 391 361 A 14 THR HG1 A 13 PRO HA 1.0 . 5.31 392 362 A 45 PRO HA A 46 LEU HD1% 1.0 . 4.27 393 363 A 20 THR HA A 94 ILE HD1% 1.0 . 4.02 394 364 A 56 ILE HG2% A 19 PRO HA 1.0 . 4.09 395 365 A 90 ILE HG1y A 84 THR HA 1.0 . 5.02 396 366 A 44 ILE HA A 45 PRO HGy 1.0 . 4.48 397 367 A 56 ILE HA A 56 ILE HG1x 1.0 . 4.06 398 368 A 90 ILE HA A 90 ILE HG1x 1.0 . 3.90 399 369 A 61 GLU HA A 96 VAL HA 1.0 . 4.96 400 370 A 93 LEU HG A 63 GLU HGx 1.0 . 5.25 401 371 A 90 ILE HG1y A 84 THR HG2% 1.0 . 4.34 402 372 A 96 VAL HGy% A 96 VAL HA 1.0 . 3.23 403 373 A 44 ILE HG1y A 45 PRO HGx 1.0 . 5.50 404 374 A 44 ILE HG1y A 45 PRO HGy 1.0 . 5.50 405 375 A 5 ILE HG2% A 5 ILE HG1y 1.0 . 3.47 406 376 A 47 ILE HG2% A 47 ILE HG1y 1.0 . 3.64 407 377 A 96 VAL HGx% A 96 VAL HA 1.0 . 3.26 408 378 A 33 ILE HD11 A 22 ILE HG1x 1.0 . 3.76 409 379 A 33 ILE HD11 A 22 ILE HG1y 1.0 . 3.76 410 380 A 77 ASP HA A 78 PRO HGy 1.0 . 4.68 411 381 A 77 ASP HA A 78 PRO HGx 1.0 . 4.68 412 382 A 13 PRO HBy A 14 THR HA 1.0 . 5.18 413 383 A 56 ILE HD1% A 19 PRO HGx 1.0 . 4.11 414 383 A 19 PRO HGy A 56 ILE HD1% 1.0 . 4.11 415 384 A 53 PHE HD% A 46 LEU HD2% 1.0 . 4.14 416 385 A 46 LEU HD2% A 24 TRP HA 1.0 . 4.92 417 386 A 46 LEU HD2% A 46 LEU HA 1.0 . 3.71 418 387 A 84 THR HA A 90 ILE HA 1.0 . 3.34 419 388 A 17 ALA HA A 60 PRO HA 1.0 . 4.41 420 389 A 31 VAL HA A 70 VAL HA 1.0 . 3.64 421 390 A 46 LEU HD2% A 53 PHE HBy 1.0 . 3.95 422 391 A 46 LEU HD2% A 53 PHE HBx 1.0 . 3.65 423 392 A 46 LEU HD2% A 24 TRP HBy 1.0 . 4.18 424 393 A 84 THR HA A 90 ILE HG1x 1.0 . 4.27 425 394 A 60 PRO HA A 17 ALA HB% 1.0 . 4.24 426 395 A 84 THR HA A 83 VAL HGy% 1.0 . 4.12 427 396 A 46 LEU HD2% A 31 VAL HGx% 1.0 . 4.18 428 397 A 70 VAL HGy% A 31 VAL HA 1.0 . 4.13 429 398 A 46 LEU HD2% A 70 VAL HGy% 1.0 . 4.82 430 399 A 46 LEU HD2% A 31 VAL HGy% 1.0 . 4.18 431 400 A 57 LEU HD1% A 20 THR HB 1.0 . 4.62 432 401 A 65 GLN HGy A 93 LEU HD2% 1.0 . 4.42 433 402 A 57 LEU HD1% A 33 ILE HB 1.0 . 5.50 434 403 A 57 LEU HD1% A 20 THR HG2% 1.0 . 3.18 435 404 A 57 LEU HBx A 59 LEU HG 1.0 . 4.01 436 405 A 70 VAL HA A 31 VAL HGx% 1.0 . 5.13 437 406 A 57 LEU HD1% A 59 LEU HG 1.0 . 4.58 438 407 A 57 LEU HD1% A 59 LEU HD2% 1.0 . 3.57 439 408 A 53 PHE HD% A 46 LEU HD1% 1.0 . 5.31 440 409 A 32 PHE HA A 46 LEU HD1% 1.0 . 3.63 441 410 A 23 ARG HA A 54 VAL HA 1.0 . 3.73 442 411 A 46 LEU HD1% A 54 VAL HA 1.0 . 4.87 443 412 A 46 LEU HD1% A 46 LEU HA 1.0 . 3.60 444 413 A 84 THR HB A 90 ILE HA 1.0 . 5.50 445 414 A 90 ILE HA A 89 THR HB 1.0 . 5.50 446 415 A 46 LEU HD1% A 24 TRP HBx 1.0 . 5.50 447 416 A 46 LEU HD1% A 53 PHE HBx 1.0 . 5.50 448 417 A 98 LYS HGy A 61 GLU HGx 1.0 . 5.30 449 417 A 61 GLU HGx A 98 LYS HGx 1.0 . 5.30 450 418 A 46 LEU HD1% A 46 LEU HBy 1.0 . 3.97 451 419 A 46 LEU HG A 54 VAL HA 1.0 . 4.49 452 420 A 90 ILE HG1x A 89 THR HA 1.0 . 4.34 453 421 A 42 THR HA A 42 THR HG2% 1.0 . 3.23 454 422 A 46 LEU HD2% A 54 VAL HA 1.0 . 3.72 455 423 A 59 LEU HD1% A 94 ILE HD1% 1.0 . 3.63 456 424 A 59 LEU HD1% A 59 LEU HBx 1.0 . 3.93 457 425 A 59 LEU HD1% A 59 LEU HA 1.0 . 4.32 458 426 A 59 LEU HD1% A 20 THR HB 1.0 . 3.86 459 427 A 98 LYS HGy A 61 GLU HGy 1.0 . 5.30 460 427 A 61 GLU HGy A 98 LYS HGx 1.0 . 5.30 461 428 A 59 LEU HD1% A 59 LEU HBy 1.0 . 3.97 462 429 A 46 LEU HD1% A 33 ILE HA 1.0 . 4.37 463 430 A 83 VAL HA A 83 VAL HGx% 1.0 . 3.20 464 431 A 59 LEU HD1% A 57 LEU HD2% 1.0 . 4.43 465 432 A 75 VAL HGy% A 68 PHE HBy 1.0 . 4.27 466 433 A 26 GLU HA A 27 GLY HAy 1.0 . 5.26 467 434 A 98 LYS HA A 61 GLU HGy 1.0 . 4.92 468 435 A 44 ILE HA A 45 PRO HDy 1.0 . 3.84 469 436 A 44 ILE HA A 45 PRO HDx 1.0 . 3.84 470 437 A 25 SER HA A 52 ASP HBy 1.0 . 4.54 471 438 A 25 SER HA A 52 ASP HBx 1.0 . 4.54 472 439 A 92 ASN HBy A 82 VAL HA 1.0 . 5.31 473 440 A 57 LEU HD2% A 57 LEU HBy 1.0 . 3.80 474 441 A 33 ILE HG21 A 44 ILE HA 1.0 . 5.48 475 442 A 59 LEU HD2% A 57 LEU HD2% 1.0 . 4.29 476 443 A 37 PHE HE% A 57 LEU HD2% 1.0 . 4.36 477 444 A 66 TYR HA A 40 TRP HZ2 1.0 . 4.93 478 445 A 98 LYS HA A 97 LYS HA 1.0 . 4.72 479 446 A 82 VAL HGx% A 81 PRO HA 1.0 . 4.45 480 447 A 98 LYS HA A 61 GLU HA 1.0 . 5.50 481 448 A 53 PHE HA A 48 LYS HA 1.0 . 3.74 482 449 A 82 VAL HGx% A 76 HIS HBy 1.0 . 4.46 483 450 A 53 PHE HBy A 31 VAL HGx% 1.0 . 4.53 484 451 A 53 PHE HBx A 31 VAL HGx% 1.0 . 4.36 485 452 A 82 VAL HGx% A 76 HIS HBx 1.0 . 4.44 486 453 A 82 VAL HGx% A 92 ASN HBy 1.0 . 4.73 487 454 A 53 PHE HA A 46 LEU HBx 1.0 . 4.26 488 455 A 46 LEU HBx A 31 VAL HGx% 1.0 . 4.38 489 456 A 89 THR HG2% A 87 LEU HD1% 1.0 . 4.55 490 457 A 53 PHE HA A 46 LEU HD2% 1.0 . 4.46 491 458 A 90 ILE HG2% A 82 VAL HGx% 1.0 . 3.01 492 459 A 75 VAL HGx% A 70 VAL HGy% 1.0 . 3.92 493 460 A 70 VAL HGy% A 31 VAL HGx% 1.0 . 3.49 494 461 A 104 PHE HA A 104 PHE HD% 1.0 . 3.91 495 462 A 74 TRP HH2 A 34 SER HA 1.0 . 4.60 496 463 A 37 PHE HE% A 34 SER HA 1.0 . 4.52 497 464 A 66 TYR HA A 37 PHE HD% 1.0 . 4.75 498 465 A 37 PHE HD% A 37 PHE HA 1.0 . 3.94 499 466 A 64 HIS HD2 A 96 VAL HGy% 1.0 . 3.28 500 467 A 66 TYR HD% A 67 LYS HA 1.0 . 4.66 501 468 A 76 HIS HA A 67 LYS HA 1.0 . 5.24 502 469 A 59 LEU HD2% A 59 LEU HA 1.0 . 3.47 503 470 A 89 THR HG2% A 89 THR HA 1.0 . 2.99 504 471 A 96 VAL HGy% A 61 GLU HA 1.0 . 4.36 505 472 A 59 LEU HD2% A 60 PRO HDy 1.0 . 3.85 506 473 A 66 TYR HA A 35 GLY HAx 1.0 . 4.15 507 474 A 59 LEU HD2% A 60 PRO HDx 1.0 . 3.92 508 475 A 59 LEU HD2% A 37 PHE HBy 1.0 . 4.15 509 476 A 59 LEU HD2% A 37 PHE HBx 1.0 . 4.15 510 477 A 68 PHE HA A 33 ILE HB 1.0 . 4.79 511 478 A 96 VAL HGy% A 94 ILE HG1y 1.0 . 4.09 512 479 A 66 TYR HA A 35 GLY HAy 1.0 . 4.12 513 480 A 59 LEU HBy A 96 VAL HGy% 1.0 . 3.76 514 481 A 59 LEU HD2% A 59 LEU HBy 1.0 . 3.89 515 482 A 59 LEU HD2% A 57 LEU HG 1.0 . 3.97 516 483 A 68 PHE HA A 75 VAL HGy% 1.0 . 4.78 517 484 A 59 LEU HD2% A 57 LEU HBx 1.0 . 3.66 518 485 A 59 LEU HD2% A 59 LEU HBx 1.0 . 3.72 519 486 A 59 LEU HD1% A 96 VAL HGy% 1.0 . 3.35 520 487 A 59 LEU HD2% A 96 VAL HGy% 1.0 . 4.57 521 488 A 55 ALA HB% A 46 LEU HA 1.0 . 3.71 522 489 A 55 ALA HB% A 22 ILE HB 1.0 . 3.52 523 490 A 83 VAL HGx% A 93 LEU HBy 1.0 . 3.50 524 491 A 44 ILE HD1% A 42 THR HG2% 1.0 . 3.45 525 492 A 46 LEU HD1% A 55 ALA HB% 1.0 . 3.32 526 493 A 33 ILE HG21 A 55 ALA HB% 1.0 . 3.83 527 494 A 46 LEU HD2% A 55 ALA HB% 1.0 . 3.98 528 495 A 55 ALA HB% A 57 LEU HD2% 1.0 . 3.81 529 496 A 57 LEU HD1% A 55 ALA HB% 1.0 . 4.29 530 497 A 59 LEU HD2% A 37 PHE HA 1.0 . 4.20 531 498 A 74 TRP HA A 69 PHE HA 1.0 . 3.91 532 499 A 69 PHE HD% A 69 PHE HA 1.0 . 4.07 533 500 A 84 THR HG2% A 84 THR HA 1.0 . 3.12 534 501 A 84 THR HG2% A 90 ILE HA 1.0 . 3.74 535 502 A 20 THR HA A 20 THR HG2% 1.0 . 3.23 536 503 A 96 VAL HGx% A 61 GLU HA 1.0 . 3.27 537 504 A 84 THR HG2% A 88 GLY HAx 1.0 . 3.81 538 505 A 83 VAL HGx% A 65 GLN HGx 1.0 . 3.63 539 506 A 59 LEU HD1% A 20 THR HG2% 1.0 . 3.35 540 507 A 32 PHE HD% A 43 LYS HA 1.0 . 5.28 541 508 A 74 TRP HH2 A 43 LYS HA 1.0 . 5.43 542 509 A 68 PHE HA A 70 VAL HGy% 1.0 . 4.63 543 510 A 70 VAL HGx% A 31 VAL HA 1.0 . 4.20 544 511 A 83 VAL HA A 83 VAL HGy% 1.0 . 3.06 545 512 A 70 VAL HGx% A 28 GLY HAx 1.0 . 3.79 546 513 A 70 VAL HGx% A 28 GLY HAy 1.0 . 3.88 547 514 A 70 VAL HGx% A 71 ASP HBy 1.0 . 4.21 548 515 A 70 VAL HGx% A 71 ASP HBx 1.0 . 4.21 549 516 A 15 GLN HBy A 16 GLN HA 1.0 . 4.49 550 517 A 17 ALA HB% A 16 GLN HA 1.0 . 4.38 551 518 A 70 VAL HGx% A 31 VAL HGy% 1.0 . 4.17 552 519 A 64 HIS HD2 A 63 GLU HA 1.0 . 4.33 553 520 A 70 VAL HA A 31 VAL HGy% 1.0 . 5.13 554 521 A 96 VAL HA A 97 LYS HA 1.0 . 4.75 555 522 A 39 ASN HA A 36 SER HA 1.0 . 4.18 556 523 A 53 PHE HBy A 31 VAL HGy% 1.0 . 4.53 557 524 A 53 PHE HBx A 31 VAL HGy% 1.0 . 4.36 558 525 A 70 VAL HGy% A 68 PHE HBy 1.0 . 4.24 559 526 A 97 LYS HA A 61 GLU HGy 1.0 . 4.06 560 527 A 17 ALA HB% A 58 ASP HBx 1.0 . 3.57 561 527 A 58 ASP HBy A 17 ALA HB% 1.0 . 3.57 562 528 A 70 VAL HGy% A 68 PHE HBx 1.0 . 3.93 563 529 A 97 LYS HA A 61 GLU HGx 1.0 . 4.06 564 530 A 82 VAL HB A 92 ASN HA 1.0 . 4.38 565 531 A 97 LYS HA A 61 GLU HBx 1.0 . 4.23 566 531 A 61 GLU HBy A 97 LYS HA 1.0 . 4.23 567 532 A 97 LYS HA A 97 LYS HGx 1.0 . 3.47 568 532 A 97 LYS HA A 97 LYS HGy 1.0 . 3.47 569 533 A 32 PHE HA A 46 LEU HBx 1.0 . 5.50 570 534 A 32 PHE HA A 55 ALA HB% 1.0 . 5.50 571 535 A 94 ILE HG2% A 63 GLU HA 1.0 . 4.45 572 536 A 94 ILE HG2% A 64 HIS HA 1.0 . 4.81 573 537 A 82 VAL HGx% A 92 ASN HA 1.0 . 3.50 574 538 A 92 ASN HA A 83 VAL HGx% 1.0 . 5.40 575 539 A 75 VAL HGy% A 70 VAL HGy% 1.0 . 3.24 576 540 A 70 VAL HGy% A 31 VAL HGy% 1.0 . 3.49 577 541 A 95 HIS HA A 63 GLU HA 1.0 . 3.31 578 542 A 76 HIS HA A 67 LYS HEy 1.0 . 4.71 579 543 A 76 HIS HA A 68 PHE HBx 1.0 . 4.85 580 544 A 75 VAL HB A 76 HIS HA 1.0 . 5.13 581 545 A 76 HIS HA A 67 LYS HGx 1.0 . 5.35 582 546 A 95 HIS HA A 63 GLU HBx 1.0 . 4.21 583 546 A 95 HIS HA A 63 GLU HBy 1.0 . 4.21 584 547 A 46 LEU HBx A 31 VAL HGy% 1.0 . 4.38 585 548 A 94 ILE HG2% A 95 HIS HA 1.0 . 4.71 586 549 A 95 HIS HA A 96 VAL HGy% 1.0 . 5.06 587 550 A 65 GLN HA A 93 LEU HA 1.0 . 3.73 588 551 A 25 SER HA A 52 ASP HA 1.0 . 4.14 589 552 A 52 ASP HA A 51 ASN HA 1.0 . 4.73 590 553 A 93 LEU HA A 65 GLN HGy 1.0 . 4.65 591 554 A 53 PHE HD% A 52 ASP HA 1.0 . 4.91 592 555 A 66 TYR HE% A 22 ILE HG2% 1.0 . 4.21 593 556 A 22 ILE HG2% A 66 TYR HD% 1.0 . 4.84 594 557 A 56 ILE HG2% A 56 ILE HA 1.0 . 3.25 595 558 A 18 ARG HA A 19 PRO HDy 1.0 . 3.85 596 559 A 18 ARG HA A 19 PRO HDx 1.0 . 3.70 597 560 A 56 ILE HG2% A 19 PRO HBx 1.0 . 3.70 598 561 A 18 ARG HA A 19 PRO HGx 1.0 . 4.04 599 561 A 19 PRO HGy A 18 ARG HA 1.0 . 4.04 600 562 A 56 ILE HG2% A 19 PRO HGx 1.0 . 3.66 601 562 A 56 ILE HG2% A 19 PRO HGy 1.0 . 3.66 602 563 A 56 ILE HG2% A 19 PRO HBy 1.0 . 3.70 603 564 A 47 ILE HG2% A 47 ILE HG1x 1.0 . 3.64 604 565 A 22 ILE HG2% A 55 ALA HB% 1.0 . 3.77 605 566 A 57 LEU HBx A 58 ASP HA 1.0 . 5.26 606 567 A 96 VAL HGx% A 18 ARG HA 1.0 . 5.50 607 568 A 56 ILE HG2% A 56 ILE HD1% 1.0 . 2.78 608 569 A 22 ILE HD1% A 22 ILE HG2% 1.0 . 3.25 609 570 A 82 VAL HGy% A 92 ASN HA 1.0 . 4.68 610 571 A 82 VAL HGy% A 83 VAL HA 1.0 . 4.00 611 572 A 33 ILE HG21 A 33 ILE HG1y 1.0 . 4.14 612 573 A 58 ASP HA A 17 ALA HB% 1.0 . 4.43 613 574 A 20 THR HG2% A 57 LEU HA 1.0 . 4.56 614 575 A 56 ILE HG2% A 57 LEU HA 1.0 . 4.61 615 576 A 90 ILE HG2% A 82 VAL HGy% 1.0 . 3.13 616 577 A 22 ILE HD1% A 33 ILE HG21 1.0 . 4.51 617 578 A 59 LEU HD2% A 57 LEU HA 1.0 . 5.01 618 579 A 33 ILE HG21 A 68 PHE HE% 1.0 . 5.50 619 580 A 35 GLY H A 33 ILE HG21 1.0 . 5.50 620 581 A 33 ILE HG21 A 44 ILE HG1x 1.0 . 4.53 621 582 A 37 PHE HE% A 44 ILE HG1y 1.0 . 4.76 622 583 A 37 PHE HE% A 94 ILE HG2% 1.0 . 5.20 623 584 A 90 ILE HG2% A 92 ASN HA 1.0 . 4.64 624 585 A 90 ILE HG2% A 82 VAL HA 1.0 . 4.02 625 586 A 94 ILE HG2% A 93 LEU HA 1.0 . 4.74 626 587 A 90 ILE HG2% A 91 ASN HA 1.0 . 4.73 627 588 A 90 ILE HG2% A 84 THR HA 1.0 . 4.07 628 589 A 17 ALA HA A 18 ARG HA 1.0 . 4.72 629 590 A 90 ILE HG2% A 84 THR HB 1.0 . 5.50 630 591 A 90 ILE HG2% A 76 HIS HBy 1.0 . 4.54 631 592 A 90 ILE HG2% A 67 LYS HEy 1.0 . 4.89 632 593 A 94 ILE HG2% A 66 TYR HBy 1.0 . 3.49 633 594 A 90 ILE HG2% A 76 HIS HBx 1.0 . 4.41 634 595 A 82 VAL HB A 90 ILE HG2% 1.0 . 3.22 635 596 A 90 ILE HG2% A 84 THR HG2% 1.0 . 4.42 636 597 A 94 ILE HG2% A 59 LEU HBx 1.0 . 5.32 637 598 A 59 LEU HD1% A 94 ILE HG2% 1.0 . 3.53 638 599 A 22 ILE HD1% A 94 ILE HG2% 1.0 . 4.15 639 600 A 59 LEU HD2% A 94 ILE HG2% 1.0 . 4.68 640 601 A 77 ASP HA A 78 PRO HDx 1.0 . 3.83 641 602 A 44 ILE HG1y A 45 PRO HDy 1.0 . 4.14 642 603 A 44 ILE HG1y A 45 PRO HDx 1.0 . 4.14 643 604 A 67 LYS HEx A 91 ASN HA 1.0 . 5.37 644 605 A 76 HIS HBx A 91 ASN HA 1.0 . 5.50 645 606 A 67 LYS HDx A 91 ASN HA 1.0 . 4.53 646 607 A 59 LEU HA A 60 PRO HGy 1.0 . 4.68 647 608 A 59 LEU HA A 60 PRO HGx 1.0 . 4.68 648 609 A 67 LYS HDy A 91 ASN HA 1.0 . 4.28 649 610 A 19 PRO HDx A 18 ARG HBy 1.0 . 4.49 650 611 A 19 PRO HDy A 18 ARG HBx 1.0 . 5.03 651 612 A 19 PRO HDx A 18 ARG HBx 1.0 . 4.49 652 613 A 91 ASN HA A 83 VAL HGx% 1.0 . 4.98 653 614 A 96 VAL HGx% A 19 PRO HDx 1.0 . 5.50 654 615 A 56 ILE HD1% A 55 ALA HA 1.0 . 4.65 655 616 A 57 LEU HD2% A 44 ILE HG1y 1.0 . 4.09 656 617 A 33 ILE HD11 A 68 PHE HE% 1.0 . 5.17 657 618 A 33 ILE HD11 A 34 SER HA 1.0 . 5.15 658 619 A 33 ILE HD11 A 66 TYR HBy 1.0 . 4.80 659 620 A 33 ILE HD11 A 66 TYR HBx 1.0 . 4.99 660 621 A 33 ILE HD11 A 44 ILE HB 1.0 . 4.85 661 622 A 33 ILE HD11 A 55 ALA HB% 1.0 . 3.88 662 623 A 57 LEU HD1% A 33 ILE HD11 1.0 . 3.60 663 624 A 22 ILE HD1% A 33 ILE HD11 1.0 . 3.46 664 625 A 37 PHE HD% A 44 ILE HD1% 1.0 . 3.95 665 626 A 66 TYR HE% A 94 ILE HD1% 1.0 . 3.80 666 627 A 66 TYR HD% A 94 ILE HD1% 1.0 . 4.71 667 628 A 44 ILE HD1% A 34 SER HA 1.0 . 3.99 668 629 A 44 ILE HD1% A 45 PRO HDy 1.0 . 4.62 669 630 A 94 ILE HD1% A 96 VAL HA 1.0 . 4.87 670 631 A 44 ILE HD1% A 45 PRO HDx 1.0 . 4.62 671 632 A 20 THR HB A 94 ILE HD1% 1.0 . 4.44 672 633 A 66 TYR HBy A 94 ILE HD1% 1.0 . 5.21 673 634 A 44 ILE HD1% A 38 ASN HBx 1.0 . 4.76 674 635 A 96 VAL HB A 94 ILE HD1% 1.0 . 5.50 675 636 A 44 ILE HD1% A 33 ILE HG21 1.0 . 3.76 676 637 A 44 ILE HD1% A 57 LEU HD2% 1.0 . 4.03 677 638 A 33 ILE HD11 A 94 ILE HD1% 1.0 . 5.41 678 639 A 57 LEU HD1% A 44 ILE HD1% 1.0 . 3.81 679 640 A 22 ILE HD1% A 94 ILE HD1% 1.0 . 3.28 680 641 A 76 HIS HE1 A 90 ILE HD1% 1.0 . 4.02 681 642 A 84 THR HA A 90 ILE HD1% 1.0 . 3.85 682 643 A 89 THR HA A 90 ILE HD1% 1.0 . 4.78 683 644 A 84 THR HB A 90 ILE HD1% 1.0 . 4.47 684 645 A 82 VAL HB A 90 ILE HD1% 1.0 . 4.23 685 646 A 84 THR HG2% A 90 ILE HD1% 1.0 . 3.58 686 647 A 82 VAL HGy% A 90 ILE HD1% 1.0 . 3.80 687 648 A 65 GLN HGy A 93 LEU HBy 1.0 . 4.58 688 649 A 93 LEU HBy A 83 VAL HB 1.0 . 4.79 689 650 A 93 LEU HBx A 83 VAL HB 1.0 . 5.50 690 651 A 22 ILE HD1% A 20 THR HB 1.0 . 4.81 691 652 A 22 ILE HD1% A 33 ILE HB 1.0 . 4.96 692 653 A 22 ILE HD1% A 55 ALA HB% 1.0 . 4.32 693 654 A 22 ILE HD1% A 33 ILE HD11 1.0 . 3.48 694 655 A 44 ILE HD1% A 57 LEU HBy 1.0 . 4.76 695 656 A 84 THR HG2% A 88 GLY HAy 1.0 . 3.81 696 657 A 57 LEU HBy A 20 THR HG2% 1.0 . 4.33 697 658 A 59 LEU HD1% A 57 LEU HBx 1.0 . 4.84 698 659 A 96 VAL HGy% A 59 LEU HBx 1.0 . 5.07 699 660 A 67 LYS HEy A 75 VAL HA 1.0 . 4.31 700 661 A 67 LYS HEx A 75 VAL HA 1.0 . 4.23 701 662 A 74 TRP HBy A 67 LYS HEx 1.0 . 4.56 702 663 A 76 HIS HBx A 67 LYS HEy 1.0 . 3.67 703 664 A 68 PHE HBy A 67 LYS HEy 1.0 . 5.50 704 665 A 67 LYS HGy A 67 LYS HEy 1.0 . 3.85 705 666 A 67 LYS HEx A 67 LYS HGy 1.0 . 4.02 706 667 A 67 LYS HGx A 67 LYS HEx 1.0 . 3.95 707 668 A 82 VAL HGx% A 67 LYS HEy 1.0 . 4.97 708 669 A 31 VAL HB A 46 LEU HBy 1.0 . 4.83 709 670 A 46 LEU HD2% A 46 LEU HBx 1.0 . 4.23 710 671 A 65 GLN HBx A 91 ASN HBy 1.0 . 4.79 711 672 A 91 ASN HBx A 65 GLN HBx 1.0 . 4.72 712 673 A 91 ASN HBx A 83 VAL HGx% 1.0 . 4.87 713 674 A 101 PHE HD% A 98 LYS HEx 1.0 . 5.13 714 674 A 101 PHE HD% A 98 LYS HEy 1.0 . 5.13 715 675 A 89 THR HG2% A 87 LEU HBy 1.0 . 4.92 716 676 A 46 LEU HD2% A 23 ARG HA 1.0 . 4.23 717 677 A 46 LEU HD2% A 22 ILE HB 1.0 . 4.76 718 678 A 93 LEU HBy A 93 LEU HD2% 1.0 . 3.54 719 679 A 44 ILE HA A 45 PRO HGx 1.0 . 4.48 720 680 A 33 ILE HG21 A 37 PHE HE% 1.0 . 4.83 721 681 A 53 PHE HA A 48 LYS HGy 1.0 . 5.14 722 682 A 69 PHE HBx A 43 LYS HDx 1.0 . 4.78 723 682 A 69 PHE HBx A 43 LYS HDy 1.0 . 4.78 724 683 A 5 ILE HG2% A 5 ILE HA 1.0 . 3.64 725 684 A 5 ILE HA A 5 ILE HD1% 1.0 . 4.37 726 685 A 5 ILE HG2% A 5 ILE HG1x 1.0 . 3.47 727 686 A 98 LYS HA A 98 LYS HGx 1.0 . 3.61 728 686 A 98 LYS HGy A 98 LYS HA 1.0 . 3.61 729 687 A 98 LYS HA A 98 LYS HDx 1.0 . 5.29 730 687 A 98 LYS HA A 98 LYS HDy 1.0 . 5.29 731 688 A 98 LYS HDy A 98 LYS HGx 1.0 . 2.69 732 688 A 98 LYS HDx A 98 LYS HGx 1.0 . 2.69 733 688 A 98 LYS HGy A 98 LYS HDx 1.0 . 2.69 734 688 A 98 LYS HGy A 98 LYS HDy 1.0 . 2.69 735 689 A 98 LYS HA A 98 LYS HEx 1.0 . 4.72 736 689 A 98 LYS HA A 98 LYS HEy 1.0 . 4.72 737 690 A 14 THR HB A 14 THR HA 1.0 . 3.00 738 691 A 14 THR HG1 A 14 THR HA 1.0 . 3.60 739 692 A 15 GLN HA A 15 GLN HGy 1.0 . 3.70 740 693 A 15 GLN HA A 15 GLN HGx 1.0 . 3.70 741 694 A 17 ALA HA A 17 ALA HB% 1.0 . 2.95 742 695 A 21 VAL HA A 21 VAL HG1% 1.0 . 3.30 743 696 A 21 VAL HG1% A 22 ILE HA 1.0 . 3.89 744 697 A 22 ILE HD1% A 22 ILE HA 1.0 . 3.56 745 698 A 22 ILE HG2% A 22 ILE HA 1.0 . 3.24 746 699 A 22 ILE HD1% A 22 ILE HB 1.0 . 3.85 747 700 A 22 ILE HD1% A 20 THR HG2% 1.0 . 2.89 748 701 A 26 GLU HA A 26 GLU HGx 1.0 . 3.88 749 702 A 26 GLU HA A 26 GLU HGy 1.0 . 3.88 750 703 A 29 LYS HA A 29 LYS HDx 1.0 . 5.27 751 704 A 29 LYS HA A 29 LYS HDy 1.0 . 5.27 752 705 A 29 LYS HA A 29 LYS HGy 1.0 . 3.93 753 706 A 29 LYS HBx A 29 LYS HEx 1.0 . 5.28 754 706 A 29 LYS HBy A 29 LYS HEx 1.0 . 5.28 755 707 A 29 LYS HBx A 29 LYS HDx 1.0 . 3.46 756 707 A 29 LYS HBy A 29 LYS HDx 1.0 . 3.46 757 708 A 29 LYS HBy A 29 LYS HDy 1.0 . 3.46 758 708 A 29 LYS HDy A 29 LYS HBx 1.0 . 3.46 759 709 A 29 LYS HBy A 29 LYS HEy 1.0 . 5.28 760 709 A 29 LYS HEy A 29 LYS HBx 1.0 . 5.28 761 710 A 61 GLU HBy A 98 LYS HEx 1.0 . 5.46 762 710 A 61 GLU HBx A 98 LYS HEx 1.0 . 5.46 763 710 A 98 LYS HEy A 61 GLU HBx 1.0 . 5.46 764 710 A 61 GLU HBy A 98 LYS HEy 1.0 . 5.46 765 711 A 98 LYS HEx A 98 LYS HGx 1.0 . 3.08 766 711 A 98 LYS HEy A 98 LYS HGx 1.0 . 3.08 767 711 A 98 LYS HGy A 98 LYS HEx 1.0 . 3.08 768 711 A 98 LYS HGy A 98 LYS HEy 1.0 . 3.08 769 712 A 29 LYS HA A 29 LYS HGx 1.0 . 3.93 770 713 A 31 VAL HA A 31 VAL HGx% 1.0 . 3.64 771 714 A 31 VAL HA A 31 VAL HGy% 1.0 . 3.64 772 715 A 33 ILE HG21 A 33 ILE HA 1.0 . 3.94 773 716 A 33 ILE HD11 A 33 ILE HA 1.0 . 4.81 774 717 A 33 ILE HD11 A 33 ILE HB 1.0 . 3.72 775 718 A 33 ILE HD11 A 33 ILE HG21 1.0 . 3.45 776 719 A 33 ILE HD11 A 33 ILE HG21 1.0 . 3.36 777 720 A 38 ASN HA A 37 PHE HA 1.0 . 5.29 778 721 A 43 LYS HA A 43 LYS HGy 1.0 . 4.01 779 722 A 43 LYS HA A 43 LYS HGx 1.0 . 4.01 780 723 A 43 LYS HBx A 43 LYS HDx 1.0 . 4.09 781 723 A 43 LYS HBx A 43 LYS HDy 1.0 . 4.09 782 724 A 43 LYS HA A 43 LYS HDx 1.0 . 4.21 783 724 A 43 LYS HDy A 43 LYS HA 1.0 . 4.21 784 725 A 43 LYS HBy A 43 LYS HDx 1.0 . 3.85 785 725 A 43 LYS HBy A 43 LYS HDy 1.0 . 3.85 786 726 A 44 ILE HA A 44 ILE HG2% 1.0 . 4.15 787 727 A 44 ILE HD1% A 44 ILE HB 1.0 . 3.30 788 728 A 44 ILE HD1% A 44 ILE HA 1.0 . 3.89 789 729 A 44 ILE HD1% A 44 ILE HG2% 1.0 . 3.28 790 730 A 44 ILE HA A 44 ILE HG1y 1.0 . 3.45 791 731 A 44 ILE HG1y A 44 ILE HG2% 1.0 . 3.23 792 732 A 47 ILE HB A 47 ILE HD1% 1.0 . 3.69 793 733 A 47 ILE HD1% A 47 ILE HA 1.0 . 3.62 794 734 A 5 ILE HD1% A 5 ILE HB 1.0 . 3.62 795 735 A 47 ILE HG2% A 47 ILE HA 1.0 . 3.40 796 736 A 48 LYS HA A 48 LYS HDx 1.0 . 4.61 797 736 A 48 LYS HA A 48 LYS HDy 1.0 . 4.61 798 737 A 48 LYS HBy A 48 LYS HDx 1.0 . 3.61 799 737 A 48 LYS HDy A 48 LYS HBy 1.0 . 3.61 800 738 A 48 LYS HGx A 48 LYS HEy 1.0 . 4.13 801 739 A 48 LYS HGx A 48 LYS HEx 1.0 . 4.13 802 740 A 56 ILE HA A 56 ILE HD1% 1.0 . 3.80 803 741 A 56 ILE HD1% A 56 ILE HB 1.0 . 3.81 804 742 A 67 LYS HDy A 67 LYS HA 1.0 . 4.20 805 743 A 57 LEU HD1% A 57 LEU HA 1.0 . 4.15 806 744 A 57 LEU HG A 57 LEU HA 1.0 . 3.72 807 745 A 57 LEU HD1% A 57 LEU HBx 1.0 . 3.31 808 746 A 57 LEU HD2% A 57 LEU HA 1.0 . 3.39 809 747 A 33 ILE HG21 A 57 LEU HD2% 1.0 . 3.45 810 748 A 57 LEU HD2% A 57 LEU HBx 1.0 . 3.90 811 749 A 46 LEU HD1% A 33 ILE HB 1.0 . 3.38 812 750 A 96 VAL HB A 61 GLU HA 1.0 . 3.62 813 751 A 61 GLU HA A 61 GLU HGx 1.0 . 4.01 814 752 A 63 GLU HA A 63 GLU HGx 1.0 . 3.88 815 753 A 63 GLU HA A 63 GLU HGy 1.0 . 3.88 816 754 A 65 GLN HA A 65 GLN HGy 1.0 . 3.91 817 755 A 65 GLN HA A 65 GLN HGx 1.0 . 4.01 818 756 A 67 LYS HDx A 67 LYS HA 1.0 . 4.14 819 757 A 67 LYS HEx A 67 LYS HBx 1.0 . 4.65 820 757 A 67 LYS HBy A 67 LYS HEx 1.0 . 4.65 821 758 A 67 LYS HEy A 67 LYS HBx 1.0 . 4.50 822 758 A 67 LYS HBy A 67 LYS HEy 1.0 . 4.50 823 759 A 67 LYS HDx A 76 HIS HBx 1.0 . 5.16 824 760 A 74 TRP HBx A 67 LYS HGy 1.0 . 5.12 825 761 A 67 LYS HGx A 67 LYS HEy 1.0 . 4.14 826 762 A 70 VAL HGx% A 70 VAL HA 1.0 . 3.44 827 763 A 70 VAL HGy% A 70 VAL HA 1.0 . 3.71 828 764 A 73 GLN HA A 73 GLN HGy 1.0 . 3.96 829 765 A 73 GLN HA A 73 GLN HGx 1.0 . 3.96 830 766 A 75 VAL HGx% A 75 VAL HA 1.0 . 3.16 831 767 A 75 VAL HGy% A 75 VAL HA 1.0 . 3.62 832 768 A 82 VAL HGx% A 82 VAL HA 1.0 . 3.25 833 769 A 82 VAL HGy% A 82 VAL HA 1.0 . 3.42 834 770 A 33 ILE HG21 A 44 ILE HB 1.0 . 3.42 835 771 A 87 LEU HD1% A 87 LEU HA 1.0 . 2.86 836 772 A 87 LEU HBx A 87 LEU HD1% 1.0 . 3.00 837 773 A 87 LEU HD1% A 87 LEU HBy 1.0 . 3.23 838 774 A 87 LEU HA A 87 LEU HD2% 1.0 . 3.59 839 775 A 87 LEU HBx A 87 LEU HD2% 1.0 . 3.24 840 776 A 87 LEU HBy A 87 LEU HD2% 1.0 . 3.08 841 777 A 87 LEU HA A 87 LEU HG 1.0 . 3.81 842 778 A 90 ILE HG1y A 90 ILE HA 1.0 . 3.82 843 779 A 90 ILE HB A 90 ILE HD1% 1.0 . 3.71 844 780 A 90 ILE HA A 90 ILE HD1% 1.0 . 3.53 845 781 A 90 ILE HG2% A 90 ILE HD1% 1.0 . 2.83 846 782 A 90 ILE HG2% A 90 ILE HG1x 1.0 . 3.55 847 783 A 90 ILE HG2% A 90 ILE HA 1.0 . 3.34 848 784 A 90 ILE HG2% A 90 ILE HG1y 1.0 . 3.41 849 785 A 94 ILE HD1% A 94 ILE HA 1.0 . 3.58 850 786 A 94 ILE HB A 94 ILE HD1% 1.0 . 3.38 851 787 A 94 ILE HG2% A 94 ILE HD1% 1.0 . 2.61 852 788 A 94 ILE HA A 94 ILE HG1y 1.0 . 3.97 853 789 A 94 ILE HA A 94 ILE HG1x 1.0 . 3.97 854 790 A 94 ILE HG2% A 94 ILE HA 1.0 . 3.53 855 791 A 94 ILE HG2% A 94 ILE HG1y 1.0 . 3.53 856 792 A 97 LYS HBx A 97 LYS HEx 1.0 . 4.41 857 792 A 97 LYS HEy A 97 LYS HBx 1.0 . 4.41 858 793 A 97 LYS HA A 97 LYS HEx 1.0 . 4.24 859 793 A 97 LYS HEy A 97 LYS HA 1.0 . 4.24 860 794 A 97 LYS HBy A 97 LYS HEx 1.0 . 3.95 861 794 A 97 LYS HEy A 97 LYS HBy 1.0 . 3.95 862 795 A 97 LYS HEx A 97 LYS HGx 1.0 . 3.52 863 795 A 97 LYS HEy A 97 LYS HGx 1.0 . 3.52 864 795 A 97 LYS HGy A 97 LYS HEx 1.0 . 3.52 865 795 A 97 LYS HEy A 97 LYS HGy 1.0 . 3.52 866 796 A 102 GLU HA A 102 GLU HGx 1.0 . 3.80 867 797 A 57 LEU HD2% A 59 LEU HG 1.0 . 4.96 868 798 A 20 THR HB A 59 LEU HG 1.0 . 4.65 869 799 A 69 PHE HE% A 69 PHE HA 1.0 . 4.96 870 800 A 43 LYS HA A 43 LYS HEx 1.0 . 5.50 871 801 A 93 LEU HBx A 93 LEU HD1% 1.0 . 3.33 872 802 A 93 LEU HBy A 93 LEU HD1% 1.0 . 3.54 873 803 A 93 LEU HBx A 93 LEU HD2% 1.0 . 3.33 874 804 A 33 ILE HG21 A 33 ILE HG1x 1.0 . 4.14 875 805 A 54 VAL HB A 56 ILE HG1x 1.0 . 4.81 876 806 A 55 ALA HB% A 56 ILE HG1x 1.0 . 5.25 877 807 A 14 THR HA A 15 GLN HBx 1.0 . 5.45 878 808 A 19 PRO HA A 56 ILE HD1% 1.0 . 4.47 879 809 A 35 GLY HAx A 66 TYR HBy 1.0 . 4.88 880 810 A 35 GLY HAx A 66 TYR HBx 1.0 . 5.50 881 811 A 22 ILE HD1% A 94 ILE HB 1.0 . 4.93 882 812 A 81 PRO HA A 82 VAL HA 1.0 . 5.31 883 813 A 83 VAL HA A 82 VAL HA 1.0 . 5.50 884 814 A 59 LEU HD2% A 22 ILE HD1% 1.0 . 5.46 885 815 A 42 THR HG2% A 41 SER HBx 1.0 . 4.56 886 815 A 41 SER HBy A 42 THR HG2% 1.0 . 4.56 887 816 A 19 PRO HDy A 18 ARG HBy 1.0 . 5.03 888 817 A 96 VAL HGx% A 18 ARG HBx 1.0 . 4.27 889 818 A 96 VAL HGx% A 18 ARG HBy 1.0 . 4.27 890 819 A 62 GLY HAx A 63 GLU HBx 1.0 . 4.79 891 819 A 63 GLU HBy A 62 GLY HAx 1.0 . 4.79 892 820 A 50 HIS HA A 50 HIS HD2 1.0 . 4.41 893 821 A 59 LEU HD2% A 20 THR HB 1.0 . 5.03 894 822 A 54 VAL HA A 23 ARG HBy 1.0 . 5.22 895 823 A 54 VAL HA A 23 ARG HBx 1.0 . 5.22 896 824 A 30 GLU HGx A 29 LYS HBx 1.0 . 4.09 897 824 A 30 GLU HGx A 29 LYS HBy 1.0 . 4.09 898 825 A 92 ASN HA A 82 VAL HA 1.0 . 3.45 899 826 A 43 LYS HBx A 32 PHE HBx 1.0 . 5.28 900 827 A 43 LYS HBx A 32 PHE HBy 1.0 . 5.14 901 828 A 43 LYS HBy A 32 PHE HBy 1.0 . 4.99 902 829 A 69 PHE HBy A 32 PHE HBx 1.0 . 5.32 903 830 A 46 LEU HD1% A 32 PHE HBx 1.0 . 5.50 904 831 A 46 LEU HD1% A 32 PHE HBy 1.0 . 5.50 905 832 A 104 PHE HD% A 103 VAL HA 1.0 . 4.85 906 833 A 53 PHE HA A 48 LYS HGx 1.0 . 5.21 907 834 A 59 LEU HD2% A 60 PRO HGy 1.0 . 5.10 908 835 A 59 LEU HD2% A 60 PRO HGx 1.0 . 5.10 909 836 A 59 LEU HBy A 60 PRO HDx 1.0 . 4.97 910 837 A 70 VAL HGx% A 31 VAL HGx% 1.0 . 4.17 911 838 A 74 TRP HBy A 67 LYS HGx 1.0 . 5.08 912 839 A 97 LYS HGy A 95 HIS HBy 1.0 . 5.37 913 839 A 95 HIS HBy A 97 LYS HGx 1.0 . 5.37 914 840 A 97 LYS HGy A 95 HIS HBx 1.0 . 5.37 915 840 A 95 HIS HBx A 97 LYS HGx 1.0 . 5.37 916 841 A 96 VAL HA A 97 LYS HGx 1.0 . 4.74 917 841 A 96 VAL HA A 97 LYS HGy 1.0 . 4.74 918 842 A 60 PRO HDx A 59 LEU HG 1.0 . 5.14 919 843 A 60 PRO HDx A 96 VAL HGy% 1.0 . 5.50 920 844 A 60 PRO HDx A 59 LEU HBx 1.0 . 4.76 921 845 A 53 PHE HD% A 30 GLU HA 1.0 . 5.50 922 846 A 68 PHE HD% A 24 TRP HA 1.0 . 5.50 923 847 A 29 LYS HA A 29 LYS HEy 1.0 . 5.29 924 848 A 29 LYS HA A 29 LYS HEx 1.0 . 5.29 925 849 A 68 PHE HD% A 33 ILE HA 1.0 . 5.07 926 850 A 66 TYR HE% A 94 ILE HA 1.0 . 4.20 927 851 A 53 PHE HBx A 46 LEU HBx 1.0 . 4.94 928 852 A 46 LEU HD1% A 22 ILE HB 1.0 . 4.82 929 853 A 102 GLU HA A 102 GLU HGy 1.0 . 3.80 930 854 A 30 GLU HA A 30 GLU HGx 1.0 . 3.80 931 855 A 30 GLU HA A 30 GLU HGy 1.0 . 4.07 932 856 A 98 LYS HGx A 99 SER HBx 1.0 . 5.15 933 856 A 99 SER HBy A 98 LYS HGx 1.0 . 5.15 934 856 A 98 LYS HGy A 99 SER HBy 1.0 . 5.15 935 856 A 98 LYS HGy A 99 SER HBx 1.0 . 5.15 936 857 A 98 LYS HBx A 61 GLU HBx 1.0 . 4.50 937 857 A 61 GLU HBy A 98 LYS HBx 1.0 . 4.50 938 858 A 98 LYS HA A 61 GLU HGx 1.0 . 4.92 939 859 A 53 PHE HBy A 46 LEU HBy 1.0 . 4.18 940 860 A 98 LYS HDy A 98 LYS HEx 1.0 . 2.72 941 860 A 98 LYS HDx A 98 LYS HEx 1.0 . 2.72 942 860 A 98 LYS HEy A 98 LYS HDx 1.0 . 2.72 943 860 A 98 LYS HEy A 98 LYS HDy 1.0 . 2.72 944 861 A 61 GLU HBy A 98 LYS HBy 1.0 . 4.50 945 861 A 61 GLU HBx A 98 LYS HBy 1.0 . 4.50 946 862 A 31 VAL H A 30 GLU H 1.0 . 4.21 947 863 A 104 PHE HD% A 104 PHE H 1.0 . 3.57 948 864 A 20 THR HB A 59 LEU H 1.0 . 4.97 949 865 A 59 LEU HBy A 59 LEU H 1.0 . 3.92 950 866 A 17 ALA HB% A 59 LEU H 1.0 . 4.41 951 867 A 59 LEU HG A 59 LEU H 1.0 . 3.36 952 868 A 31 VAL HB A 31 VAL H 1.0 . 3.90 953 869 A 56 ILE HG2% A 58 ASP H 1.0 . 4.86 954 870 A 59 LEU HD1% A 59 LEU H 1.0 . 4.24 955 871 A 59 LEU HD2% A 58 ASP H 1.0 . 4.58 956 872 A 59 LEU HD2% A 59 LEU H 1.0 . 3.71 957 873 A 32 PHE H A 69 PHE H 1.0 . 3.96 958 874 A 74 TRP HD1 A 74 TRP H 1.0 . 3.46 959 875 A 32 PHE HD% A 32 PHE H 1.0 . 3.79 960 876 A 24 TRP HD1 A 25 SER H 1.0 . 4.56 961 877 A 69 PHE HE% A 74 TRP H 1.0 . 4.75 962 878 A 69 PHE HD% A 32 PHE H 1.0 . 4.26 963 879 A 69 PHE HD% A 74 TRP H 1.0 . 4.55 964 880 A 70 VAL HA A 32 PHE H 1.0 . 4.17 965 881 A 26 GLU HA A 25 SER H 1.0 . 4.98 966 882 A 69 PHE HBx A 32 PHE H 1.0 . 4.17 967 883 A 84 THR HG2% A 90 ILE H 1.0 . 3.98 968 884 A 75 VAL HGx% A 74 TRP H 1.0 . 4.31 969 885 A 32 PHE H A 43 LYS HDx 1.0 . 4.52 970 885 A 43 LYS HDy A 32 PHE H 1.0 . 4.52 971 886 A 90 ILE HD1% A 90 ILE H 1.0 . 3.83 972 887 A 90 ILE HD1% A 91 ASN H 1.0 . 4.22 973 888 A 70 VAL HGy% A 32 PHE H 1.0 . 4.20 974 889 A 55 ALA HB% A 22 ILE H 1.0 . 4.71 975 890 A 22 ILE HD1% A 22 ILE H 1.0 . 4.03 976 891 A 69 PHE HE% A 74 TRP HE1 1.0 . 4.04 977 892 A 69 PHE HD% A 74 TRP HE1 1.0 . 4.09 978 893 A 53 PHE HD% A 24 TRP HE1 1.0 . 4.54 979 894 A 25 SER HA A 24 TRP HE1 1.0 . 4.98 980 895 A 26 GLU HA A 24 TRP HE1 1.0 . 4.61 981 896 A 28 GLY HAx A 24 TRP HE1 1.0 . 4.88 982 897 A 24 TRP HE1 A 26 GLU HBy 1.0 . 3.93 983 898 A 24 TRP HE1 A 26 GLU HBx 1.0 . 3.93 984 899 A 75 VAL HGy% A 24 TRP HE1 1.0 . 4.50 985 900 A 70 VAL HGx% A 24 TRP HE1 1.0 . 3.33 986 901 A 24 TRP HE1 A 31 VAL HGx% 1.0 . 4.70 987 902 A 70 VAL HGy% A 24 TRP HE1 1.0 . 3.85 988 903 A 24 TRP HE1 A 31 VAL HGy% 1.0 . 4.70 989 904 A 33 ILE H A 44 ILE H 1.0 . 3.98 990 905 A 36 SER H A 40 TRP HE1 1.0 . 3.99 991 906 A 62 GLY H A 96 VAL H 1.0 . 3.49 992 907 A 69 PHE HE% A 72 GLY H 1.0 . 3.97 993 908 A 64 HIS HD2 A 96 VAL H 1.0 . 4.17 994 909 A 63 GLU HA A 96 VAL H 1.0 . 4.05 995 910 A 31 VAL HA A 71 ASP H 1.0 . 4.87 996 911 A 40 TRP HE1 A 36 SER HBy 1.0 . 3.85 997 912 A 40 TRP HE1 A 36 SER HBx 1.0 . 3.85 998 913 A 61 GLU HA A 96 VAL H 1.0 . 4.75 999 914 A 36 SER HA A 40 TRP HE1 1.0 . 3.36 1000 915 A 44 ILE HB A 44 ILE H 1.0 . 3.60 1001 916 A 71 ASP H A 29 LYS HBx 1.0 . 4.72 1002 916 A 29 LYS HBy A 71 ASP H 1.0 . 4.72 1003 917 A 96 VAL H A 63 GLU HBx 1.0 . 4.76 1004 917 A 63 GLU HBy A 96 VAL H 1.0 . 4.76 1005 918 A 44 ILE HG1x A 44 ILE H 1.0 . 4.31 1006 919 A 97 LYS H A 97 LYS HGx 1.0 . 3.20 1007 919 A 97 LYS HGy A 97 LYS H 1.0 . 3.20 1008 920 A 44 ILE HG2% A 44 ILE H 1.0 . 3.81 1009 921 A 96 VAL HGy% A 96 VAL H 1.0 . 3.22 1010 922 A 44 ILE HD1% A 44 ILE H 1.0 . 3.26 1011 923 A 96 VAL HGx% A 96 VAL H 1.0 . 3.88 1012 924 A 33 ILE HG21 A 44 ILE H 1.0 . 4.09 1013 925 A 53 PHE HD% A 48 LYS H 1.0 . 4.84 1014 926 A 48 LYS HGx A 48 LYS H 1.0 . 4.66 1015 927 A 47 ILE HD1% A 48 LYS H 1.0 . 4.07 1016 928 A 48 LYS HGy A 48 LYS H 1.0 . 4.21 1017 929 A 56 ILE H A 57 LEU H 1.0 . 4.35 1018 930 A 20 THR HB A 57 LEU H 1.0 . 4.22 1019 931 A 20 THR HG2% A 57 LEU H 1.0 . 3.74 1020 932 A 94 ILE HD1% A 21 VAL H 1.0 . 3.08 1021 933 A 70 VAL H A 75 VAL H 1.0 . 4.20 1022 934 A 64 HIS HD2 A 95 HIS H 1.0 . 5.50 1023 935 A 66 TYR HE% A 95 HIS H 1.0 . 5.50 1024 936 A 74 TRP HA A 70 VAL H 1.0 . 3.95 1025 937 A 69 PHE HD% A 70 VAL H 1.0 . 4.42 1026 938 A 103 VAL HA A 105 ASP H 1.0 . 4.45 1027 939 A 69 PHE HBx A 70 VAL H 1.0 . 4.70 1028 940 A 75 VAL HGx% A 70 VAL H 1.0 . 3.30 1029 941 A 70 VAL HGy% A 70 VAL H 1.0 . 3.56 1030 942 A 12 LYS H A 13 PRO HDy 1.0 . 4.34 1031 943 A 12 LYS H A 13 PRO HDx 1.0 . 4.34 1032 944 A 69 PHE HBx A 69 PHE H 1.0 . 4.09 1033 945 A 69 PHE HBy A 69 PHE H 1.0 . 4.20 1034 946 A 75 VAL HGy% A 69 PHE H 1.0 . 4.29 1035 947 A 22 ILE HD1% A 23 ARG H 1.0 . 4.80 1036 948 A 70 VAL HGy% A 69 PHE H 1.0 . 4.34 1037 949 A 17 ALA H A 18 ARG H 1.0 . 4.52 1038 950 A 18 ARG HA A 17 ALA H 1.0 . 5.25 1039 951 A 58 ASP HA A 17 ALA H 1.0 . 5.47 1040 952 A 66 TYR HE% A 94 ILE H 1.0 . 3.99 1041 953 A 66 TYR HD% A 94 ILE H 1.0 . 4.22 1042 954 A 65 GLN HA A 94 ILE H 1.0 . 4.12 1043 955 A 64 HIS HBy A 94 ILE H 1.0 . 4.88 1044 956 A 93 LEU HG A 94 ILE H 1.0 . 4.20 1045 957 A 94 ILE HG2% A 94 ILE H 1.0 . 3.17 1046 958 A 91 ASN H A 83 VAL H 1.0 . 3.55 1047 959 A 25 SER H A 24 TRP H 1.0 . 4.55 1048 960 A 91 ASN H A 85 SER H 1.0 . 4.08 1049 961 A 91 ASN H A 91 ASN HD2x 1.0 . 4.62 1050 962 A 85 SER H A 89 THR H 1.0 . 3.66 1051 963 A 84 THR HA A 91 ASN H 1.0 . 3.93 1052 964 A 90 ILE HA A 85 SER H 1.0 . 3.63 1053 965 A 85 SER H A 85 SER HBy 1.0 . 3.58 1054 966 A 85 SER H A 85 SER HBx 1.0 . 3.58 1055 967 A 25 SER H A 25 SER HBy 1.0 . 4.01 1056 968 A 25 SER H A 25 SER HBx 1.0 . 4.01 1057 969 A 82 VAL HB A 91 ASN H 1.0 . 3.84 1058 970 A 90 ILE HG1x A 85 SER H 1.0 . 5.29 1059 971 A 24 TRP H A 53 PHE H 1.0 . 3.86 1060 972 A 54 VAL HA A 24 TRP H 1.0 . 4.02 1061 973 A 46 LEU HD2% A 24 TRP H 1.0 . 3.52 1062 974 A 80 GLU H A 92 ASN HD2y 1.0 . 4.74 1063 975 A 98 LYS HA A 100 ASP H 1.0 . 4.34 1064 976 A 61 GLU HA A 98 LYS H 1.0 . 5.36 1065 977 A 80 GLU H A 77 ASP HBy 1.0 . 4.72 1066 978 A 80 GLU H A 80 GLU HGy 1.0 . 4.22 1067 979 A 98 LYS H A 61 GLU HGy 1.0 . 3.86 1068 980 A 80 GLU H A 80 GLU HGx 1.0 . 4.22 1069 981 A 98 LYS H A 61 GLU HGx 1.0 . 3.86 1070 982 A 80 GLU H A 80 GLU HBx 1.0 . 3.44 1071 983 A 98 LYS H A 61 GLU HBx 1.0 . 4.24 1072 983 A 61 GLU HBy A 98 LYS H 1.0 . 4.24 1073 984 A 98 LYS H A 98 LYS HGx 1.0 . 3.27 1074 984 A 98 LYS HGy A 98 LYS H 1.0 . 3.27 1075 985 A 82 VAL HGx% A 80 GLU H 1.0 . 4.14 1076 986 A 96 VAL HGx% A 98 LYS H 1.0 . 4.95 1077 987 A 49 SER H A 54 VAL H 1.0 . 4.43 1078 988 A 100 ASP H A 102 GLU H 1.0 . 4.35 1079 989 A 9 ASP H A 10 SER H 1.0 . 3.61 1080 990 A 74 TRP HE3 A 75 VAL H 1.0 . 4.18 1081 991 A 59 LEU H A 18 ARG H 1.0 . 4.31 1082 992 A 101 PHE HD% A 102 GLU H 1.0 . 3.79 1083 993 A 40 TRP HZ2 A 65 GLN H 1.0 . 4.75 1084 994 A 53 PHE HD% A 49 SER H 1.0 . 5.21 1085 995 A 53 PHE HA A 49 SER H 1.0 . 3.69 1086 996 A 45 PRO HA A 46 LEU H 1.0 . 3.16 1087 997 A 49 SER H A 49 SER HBx 1.0 . 3.52 1088 997 A 49 SER H A 49 SER HBy 1.0 . 3.52 1089 998 A 67 LYS HDx A 75 VAL H 1.0 . 5.34 1090 999 A 67 LYS HGx A 75 VAL H 1.0 . 4.22 1091 1000 A 18 ARG H A 18 ARG HBy 1.0 . 3.85 1092 1001 A 18 ARG H A 18 ARG HBx 1.0 . 3.85 1093 1002 A 48 LYS HGx A 49 SER H 1.0 . 3.88 1094 1003 A 75 VAL HGx% A 75 VAL H 1.0 . 3.74 1095 1004 A 75 VAL HGy% A 75 VAL H 1.0 . 3.42 1096 1005 A 48 LYS HGy A 49 SER H 1.0 . 3.69 1097 1006 A 46 LEU H A 31 VAL HGx% 1.0 . 5.50 1098 1007 A 30 GLU H A 29 LYS H 1.0 . 2.96 1099 1008 A 94 ILE H A 64 HIS H 1.0 . 3.75 1100 1009 A 96 VAL H A 64 HIS H 1.0 . 4.38 1101 1010 A 36 SER H A 65 GLN H 1.0 . 3.98 1102 1011 A 57 LEU H A 20 THR H 1.0 . 3.61 1103 1012 A 64 HIS HD2 A 64 HIS H 1.0 . 3.78 1104 1013 A 95 HIS HA A 64 HIS H 1.0 . 3.71 1105 1014 A 28 GLY HAx A 30 GLU H 1.0 . 3.95 1106 1015 A 28 GLY HAy A 30 GLU H 1.0 . 4.98 1107 1016 A 65 GLN HGx A 65 GLN H 1.0 . 4.89 1108 1017 A 65 GLN HBy A 65 GLN H 1.0 . 3.87 1109 1018 A 65 GLN HBx A 65 GLN H 1.0 . 3.77 1110 1019 A 94 ILE HG2% A 64 HIS H 1.0 . 3.38 1111 1020 A 56 ILE HD1% A 20 THR H 1.0 . 3.65 1112 1021 A 56 ILE HG2% A 20 THR H 1.0 . 3.61 1113 1022 A 70 VAL HGx% A 30 GLU H 1.0 . 4.13 1114 1023 A 59 LEU HD1% A 20 THR H 1.0 . 4.26 1115 1024 A 92 ASN HD2y A 77 ASP H 1.0 . 4.06 1116 1025 A 68 PHE HE% A 77 ASP H 1.0 . 4.28 1117 1026 A 68 PHE HD% A 77 ASP H 1.0 . 4.23 1118 1027 A 92 ASN HD2x A 77 ASP H 1.0 . 4.34 1119 1028 A 77 ASP H A 77 ASP HBy 1.0 . 3.82 1120 1029 A 77 ASP H A 77 ASP HBx 1.0 . 3.82 1121 1030 A 82 VAL HGx% A 77 ASP H 1.0 . 4.24 1122 1031 A 30 GLU HA A 29 LYS H 1.0 . 4.94 1123 1032 A 103 VAL H A 102 GLU HGx 1.0 . 4.77 1124 1033 A 29 LYS H A 29 LYS HGy 1.0 . 3.99 1125 1034 A 29 LYS H A 29 LYS HGx 1.0 . 3.99 1126 1035 A 70 VAL HGx% A 29 LYS H 1.0 . 4.00 1127 1036 A 56 ILE HB A 56 ILE H 1.0 . 3.71 1128 1037 A 84 THR HG2% A 84 THR H 1.0 . 3.96 1129 1038 A 90 ILE HD1% A 84 THR H 1.0 . 4.34 1130 1039 A 38 ASN H A 40 TRP H 1.0 . 3.40 1131 1040 A 92 ASN HD2y A 93 LEU H 1.0 . 5.20 1132 1041 A 38 ASN HD2x A 38 ASN H 1.0 . 4.03 1133 1042 A 35 GLY H A 38 ASN H 1.0 . 4.16 1134 1043 A 92 ASN HD2x A 93 LEU H 1.0 . 3.84 1135 1044 A 37 PHE HE% A 38 ASN H 1.0 . 4.52 1136 1045 A 37 PHE HD% A 38 ASN H 1.0 . 3.41 1137 1046 A 38 ASN HD2y A 38 ASN H 1.0 . 4.34 1138 1047 A 82 VAL HA A 93 LEU H 1.0 . 4.09 1139 1048 A 39 ASN HA A 38 ASN H 1.0 . 4.27 1140 1049 A 40 TRP HA A 38 ASN H 1.0 . 4.82 1141 1050 A 36 SER HA A 38 ASN H 1.0 . 3.96 1142 1051 A 39 ASN HBy A 38 ASN H 1.0 . 5.17 1143 1052 A 76 HIS H A 67 LYS HEy 1.0 . 4.33 1144 1053 A 53 PHE HD% A 54 VAL H 1.0 . 4.17 1145 1054 A 95 HIS HA A 63 GLU H 1.0 . 4.88 1146 1055 A 46 LEU HA A 54 VAL H 1.0 . 4.29 1147 1056 A 54 VAL HB A 54 VAL H 1.0 . 3.93 1148 1057 A 46 LEU HBx A 54 VAL H 1.0 . 4.78 1149 1058 A 96 VAL HGx% A 61 GLU H 1.0 . 4.16 1150 1059 A 75 VAL H A 68 PHE H 1.0 . 4.30 1151 1060 A 101 PHE HD% A 101 PHE H 1.0 . 4.00 1152 1061 A 68 PHE HD% A 68 PHE H 1.0 . 3.57 1153 1062 A 37 PHE HE% A 37 PHE H 1.0 . 4.12 1154 1063 A 37 PHE HD% A 37 PHE H 1.0 . 3.11 1155 1064 A 101 PHE H A 99 SER HA 1.0 . 3.70 1156 1065 A 35 GLY HAx A 37 PHE H 1.0 . 4.10 1157 1066 A 67 LYS HEx A 68 PHE H 1.0 . 4.51 1158 1067 A 76 HIS HBx A 68 PHE H 1.0 . 5.11 1159 1068 A 68 PHE HBy A 68 PHE H 1.0 . 3.91 1160 1069 A 68 PHE HBx A 68 PHE H 1.0 . 3.64 1161 1070 A 67 LYS HDx A 68 PHE H 1.0 . 3.65 1162 1071 A 67 LYS HGx A 68 PHE H 1.0 . 3.64 1163 1072 A 75 VAL HGy% A 68 PHE H 1.0 . 4.37 1164 1073 A 33 ILE HD11 A 67 LYS H 1.0 . 5.32 1165 1074 A 59 LEU HD2% A 37 PHE H 1.0 . 4.33 1166 1075 A 67 LYS H A 92 ASN H 1.0 . 5.22 1167 1076 A 83 VAL H A 92 ASN H 1.0 . 5.50 1168 1077 A 67 LYS H A 34 SER H 1.0 . 3.68 1169 1078 A 83 VAL H A 82 VAL H 1.0 . 4.74 1170 1079 A 53 PHE HD% A 53 PHE H 1.0 . 3.55 1171 1080 A 37 PHE HE% A 67 LYS H 1.0 . 4.61 1172 1081 A 66 TYR HE% A 67 LYS H 1.0 . 5.13 1173 1082 A 40 TRP HH2 A 67 LYS H 1.0 . 4.28 1174 1083 A 66 TYR HD% A 67 LYS H 1.0 . 3.62 1175 1084 A 92 ASN HA A 83 VAL H 1.0 . 4.03 1176 1085 A 25 SER HA A 53 PHE H 1.0 . 3.84 1177 1086 A 35 GLY HAx A 67 LYS H 1.0 . 4.48 1178 1087 A 67 LYS H A 67 LYS HBx 1.0 . 3.66 1179 1087 A 67 LYS HBy A 67 LYS H 1.0 . 3.66 1180 1088 A 67 LYS HDx A 67 LYS H 1.0 . 5.16 1181 1089 A 35 GLY HAy A 67 LYS H 1.0 . 4.20 1182 1090 A 67 LYS H A 33 ILE HG1y 1.0 . 4.26 1183 1091 A 67 LYS H A 33 ILE HG1x 1.0 . 4.26 1184 1092 A 46 LEU HD2% A 53 PHE H 1.0 . 4.79 1185 1093 A 90 ILE HG2% A 83 VAL H 1.0 . 3.49 1186 1094 A 70 VAL H A 73 GLN H 1.0 . 3.64 1187 1095 A 69 PHE HD% A 73 GLN H 1.0 . 4.14 1188 1096 A 69 PHE HA A 73 GLN H 1.0 . 4.49 1189 1097 A 70 VAL HA A 73 GLN H 1.0 . 4.29 1190 1098 A 73 GLN H A 71 ASP HA 1.0 . 4.74 1191 1099 A 75 VAL HGx% A 73 GLN H 1.0 . 4.50 1192 1100 A 75 VAL HGy% A 73 GLN H 1.0 . 5.18 1193 1101 A 70 VAL HGx% A 73 GLN H 1.0 . 5.08 1194 1102 A 70 VAL HGy% A 73 GLN H 1.0 . 5.37 1195 1103 A 40 TRP HD1 A 39 ASN H 1.0 . 3.88 1196 1104 A 37 PHE HD% A 39 ASN H 1.0 . 4.99 1197 1105 A 40 TRP HA A 39 ASN H 1.0 . 5.05 1198 1106 A 36 SER HA A 39 ASN H 1.0 . 3.72 1199 1107 A 74 TRP HZ3 A 34 SER H 1.0 . 4.02 1200 1108 A 66 TYR HE% A 66 TYR H 1.0 . 4.25 1201 1109 A 66 TYR HD% A 66 TYR H 1.0 . 3.56 1202 1110 A 93 LEU HA A 66 TYR H 1.0 . 3.80 1203 1111 A 99 SER H A 100 ASP HA 1.0 . 4.90 1204 1112 A 91 ASN HBy A 66 TYR H 1.0 . 4.39 1205 1113 A 65 GLN HBx A 66 TYR H 1.0 . 3.97 1206 1114 A 34 SER H A 33 ILE HG1y 1.0 . 3.71 1207 1115 A 34 SER H A 33 ILE HG1x 1.0 . 3.71 1208 1116 A 33 ILE HD11 A 34 SER H 1.0 . 4.69 1209 1117 A 46 LEU HD1% A 33 ILE H 1.0 . 3.74 1210 1118 A 77 ASP HA A 79 SER H 1.0 . 3.97 1211 1119 A 92 ASN H A 66 TYR H 1.0 . 3.98 1212 1120 A 40 TRP HZ2 A 36 SER H 1.0 . 4.27 1213 1121 A 37 PHE HE% A 36 SER H 1.0 . 4.91 1214 1122 A 40 TRP HD1 A 36 SER H 1.0 . 5.39 1215 1123 A 37 PHE HD% A 36 SER H 1.0 . 4.08 1216 1124 A 66 TYR HA A 36 SER H 1.0 . 4.07 1217 1125 A 64 HIS HBy A 36 SER H 1.0 . 4.44 1218 1126 A 64 HIS HBx A 36 SER H 1.0 . 4.73 1219 1127 A 67 LYS HDy A 92 ASN H 1.0 . 4.32 1220 1128 A 92 ASN HBx A 92 ASN H 1.0 . 3.80 1221 1129 A 83 VAL HGx% A 92 ASN H 1.0 . 5.07 1222 1130 A 14 THR H A 15 GLN H 1.0 . 4.69 1223 1131 A 82 VAL HGx% A 82 VAL H 1.0 . 3.21 1224 1132 A 82 VAL HGy% A 82 VAL H 1.0 . 2.63 1225 1133 A 90 ILE HG2% A 82 VAL H 1.0 . 5.33 1226 1134 A 38 ASN HD2x A 40 TRP H 1.0 . 3.88 1227 1135 A 35 GLY H A 40 TRP H 1.0 . 3.87 1228 1136 A 40 TRP HD1 A 40 TRP H 1.0 . 3.87 1229 1137 A 39 ASN HA A 40 TRP H 1.0 . 3.35 1230 1138 A 36 SER HA A 40 TRP H 1.0 . 3.84 1231 1139 A 42 THR HG2% A 41 SER H 1.0 . 4.06 1232 1140 A 39 ASN HBx A 39 ASN HD2y 1.0 . 3.77 1233 1141 A 39 ASN HBy A 39 ASN HD2x 1.0 . 3.68 1234 1142 A 39 ASN HBy A 39 ASN HD2y 1.0 . 3.68 1235 1143 A 87 LEU HBy A 89 THR H 1.0 . 4.04 1236 1144 A 87 LEU HBx A 89 THR H 1.0 . 4.32 1237 1145 A 84 THR HG2% A 89 THR H 1.0 . 3.54 1238 1146 A 87 LEU HD2% A 89 THR H 1.0 . 4.57 1239 1147 A 89 THR HG2% A 89 THR H 1.0 . 3.11 1240 1148 A 38 ASN HD2y A 42 THR H 1.0 . 3.69 1241 1149 A 40 TRP HA A 42 THR H 1.0 . 3.27 1242 1150 A 38 ASN HBy A 42 THR H 1.0 . 4.48 1243 1151 A 73 GLN HE2x A 75 VAL HGx% 1.0 . 4.08 1244 1152 A 44 ILE HD1% A 42 THR H 1.0 . 4.70 1245 1153 A 62 GLY H A 97 LYS H 1.0 . 4.81 1246 1154 A 96 VAL HA A 62 GLY H 1.0 . 4.64 1247 1155 A 96 VAL HGy% A 62 GLY H 1.0 . 4.24 1248 1156 A 96 VAL HGx% A 62 GLY H 1.0 . 3.37 1249 1157 A 40 TRP HZ2 A 91 ASN HD2y 1.0 . 5.33 1250 1158 A 24 TRP HE1 A 27 GLY H 1.0 . 3.41 1251 1159 A 53 PHE HE% A 27 GLY H 1.0 . 4.00 1252 1160 A 53 PHE HD% A 27 GLY H 1.0 . 4.40 1253 1161 A 24 TRP HD1 A 27 GLY H 1.0 . 4.74 1254 1162 A 27 GLY H A 53 PHE HZ 1.0 . 5.03 1255 1163 A 28 GLY HAx A 27 GLY H 1.0 . 4.26 1256 1164 A 27 GLY H A 26 GLU HGx 1.0 . 4.41 1257 1165 A 92 ASN HD2x A 92 ASN HA 1.0 . 4.25 1258 1166 A 82 VAL HGx% A 92 ASN HD2y 1.0 . 4.03 1259 1167 A 82 VAL HGx% A 92 ASN HD2x 1.0 . 4.12 1260 1168 A 85 SER H A 88 GLY H 1.0 . 4.54 1261 1169 A 87 LEU HA A 88 GLY H 1.0 . 3.25 1262 1170 A 87 LEU HBy A 88 GLY H 1.0 . 4.09 1263 1171 A 87 LEU HBx A 88 GLY H 1.0 . 4.44 1264 1172 A 84 THR HG2% A 88 GLY H 1.0 . 3.58 1265 1173 A 89 THR HG2% A 88 GLY H 1.0 . 4.28 1266 1174 A 87 LEU HD1% A 88 GLY H 1.0 . 4.82 1267 1175 A 87 LEU HD2% A 88 GLY H 1.0 . 5.05 1268 1176 A 35 GLY H A 37 PHE HE% 1.0 . 4.28 1269 1177 A 35 GLY H A 37 PHE HZ 1.0 . 4.19 1270 1178 A 35 GLY H A 40 TRP HA 1.0 . 3.88 1271 1179 A 53 PHE HE% A 28 GLY H 1.0 . 3.72 1272 1180 A 38 ASN HD2x A 42 THR H 1.0 . 5.04 1273 1181 A 40 TRP HA A 38 ASN HD2x 1.0 . 4.35 1274 1182 A 38 ASN HD2x A 42 THR HG2% 1.0 . 3.88 1275 1183 A 38 ASN HD2y A 42 THR HG2% 1.0 . 4.00 1276 1184 A 44 ILE HD1% A 38 ASN HD2x 1.0 . 3.97 1277 1185 A 70 VAL HGx% A 28 GLY H 1.0 . 3.88 1278 1186 A 59 LEU H A 20 THR H 1.0 . 4.86 1279 1187 A 70 VAL HGx% A 72 GLY H 1.0 . 4.55 1280 1188 A 30 GLU HGx A 72 GLY H 1.0 . 5.01 1281 1189 A 72 GLY H A 29 LYS HBx 1.0 . 5.50 1282 1189 A 29 LYS HBy A 72 GLY H 1.0 . 5.50 1283 1190 A 74 TRP HA A 73 GLN H 1.0 . 4.88 1284 1191 A 98 LYS H A 98 LYS HEx 1.0 . 4.72 1285 1191 A 98 LYS HEy A 98 LYS H 1.0 . 4.72 1286 1192 A 30 GLU H A 28 GLY H 1.0 . 5.50 1287 1193 A 32 PHE H A 33 ILE H 1.0 . 4.75 1288 1194 A 37 PHE HZ A 34 SER H 1.0 . 4.57 1289 1195 A 66 TYR HD% A 34 SER H 1.0 . 4.49 1290 1196 A 32 PHE HD% A 44 ILE H 1.0 . 4.42 1291 1197 A 24 TRP H A 54 VAL H 1.0 . 4.97 1292 1198 A 94 ILE H A 66 TYR H 1.0 . 4.57 1293 1199 A 68 PHE HD% A 69 PHE H 1.0 . 4.38 1294 1200 A 32 PHE HD% A 69 PHE H 1.0 . 5.29 1295 1201 A 66 TYR HE% A 93 LEU H 1.0 . 4.42 1296 1202 A 44 ILE HB A 33 ILE H 1.0 . 4.49 1297 1203 A 43 LYS HBx A 33 ILE H 1.0 . 4.50 1298 1204 A 55 ALA HB% A 33 ILE H 1.0 . 4.54 1299 1205 A 43 LYS HA A 42 THR H 1.0 . 4.63 1300 1206 A 100 ASP H A 98 LYS HGx 1.0 . 4.57 1301 1206 A 98 LYS HGy A 100 ASP H 1.0 . 4.57 1302 1207 A 32 PHE HBx A 44 ILE H 1.0 . 4.59 1303 1208 A 17 ALA HB% A 16 GLN H 1.0 . 5.50 1304 1209 A 64 HIS HD2 A 65 GLN H 1.0 . 5.50 1305 1210 A 65 GLN H A 37 PHE H 1.0 . 4.82 1306 1211 A 101 PHE HD% A 100 ASP H 1.0 . 5.50 1307 1212 A 100 ASP H A 98 LYS H 1.0 . 5.37 1308 1213 A 46 LEU H A 31 VAL HGy% 1.0 . 5.50 1309 1214 A 90 ILE HG2% A 85 SER H 1.0 . 4.86 1310 1215 A 90 ILE HD1% A 85 SER H 1.0 . 4.43 1311 1216 A 13 PRO HA A 12 LYS H 1.0 . 4.81 1312 1217 A 12 LYS H A 13 PRO HBx 1.0 . 5.38 1313 1218 A 59 LEU HD2% A 20 THR H 1.0 . 5.50 1314 1219 A 59 LEU HD1% A 21 VAL H 1.0 . 5.17 1315 1220 A 22 ILE HD1% A 21 VAL H 1.0 . 5.09 1316 1221 A 23 ARG H A 24 TRP H 1.0 . 4.83 1317 1222 A 22 ILE H A 23 ARG H 1.0 . 4.84 1318 1223 A 25 SER H A 24 TRP HE1 1.0 . 5.13 1319 1224 A 24 TRP HE1 A 26 GLU HGy 1.0 . 4.49 1320 1225 A 24 TRP HE1 A 26 GLU HGx 1.0 . 4.49 1321 1226 A 53 PHE HE% A 31 VAL H 1.0 . 4.43 1322 1227 A 53 PHE HD% A 31 VAL H 1.0 . 4.53 1323 1228 A 33 ILE HD11 A 33 ILE H 1.0 . 5.50 1324 1229 A 43 LYS HA A 33 ILE H 1.0 . 5.03 1325 1230 A 44 ILE HA A 33 ILE H 1.0 . 5.50 1326 1231 A 34 SER HA A 33 ILE H 1.0 . 5.04 1327 1232 A 45 PRO HA A 33 ILE H 1.0 . 4.67 1328 1233 A 32 PHE HD% A 33 ILE H 1.0 . 4.47 1329 1234 A 33 ILE H A 46 LEU H 1.0 . 5.07 1330 1235 A 66 TYR HBx A 34 SER H 1.0 . 4.44 1331 1236 A 67 LYS HA A 34 SER H 1.0 . 4.91 1332 1237 A 33 ILE H A 34 SER H 1.0 . 4.50 1333 1238 A 35 GLY H A 44 ILE HD1% 1.0 . 4.50 1334 1239 A 35 GLY H A 37 PHE H 1.0 . 4.58 1335 1240 A 35 GLY H A 36 SER H 1.0 . 4.40 1336 1241 A 65 GLN HBy A 36 SER H 1.0 . 4.60 1337 1242 A 65 GLN HBx A 36 SER H 1.0 . 5.04 1338 1243 A 37 PHE HA A 36 SER H 1.0 . 5.21 1339 1244 A 64 HIS HA A 36 SER H 1.0 . 5.42 1340 1245 A 94 ILE HG2% A 37 PHE H 1.0 . 5.50 1341 1246 A 35 GLY HAy A 37 PHE H 1.0 . 4.40 1342 1247 A 40 TRP HE1 A 37 PHE H 1.0 . 5.10 1343 1248 A 59 LEU HD2% A 38 ASN H 1.0 . 5.45 1344 1249 A 44 ILE HD1% A 38 ASN H 1.0 . 5.43 1345 1250 A 38 ASN H A 42 THR HG2% 1.0 . 5.12 1346 1251 A 38 ASN H A 35 GLY HAy 1.0 . 5.12 1347 1252 A 38 ASN H A 40 TRP HE1 1.0 . 5.50 1348 1253 A 40 TRP HE1 A 39 ASN H 1.0 . 5.04 1349 1254 A 38 ASN HA A 40 TRP H 1.0 . 4.49 1350 1255 A 36 SER H A 40 TRP H 1.0 . 5.18 1351 1256 A 40 TRP HE1 A 40 TRP H 1.0 . 4.76 1352 1257 A 65 GLN HBy A 40 TRP HE1 1.0 . 4.86 1353 1258 A 65 GLN HBx A 40 TRP HE1 1.0 . 5.27 1354 1259 A 35 GLY HAy A 40 TRP HE1 1.0 . 4.92 1355 1260 A 40 TRP HE1 A 65 GLN H 1.0 . 5.08 1356 1261 A 38 ASN HBx A 42 THR H 1.0 . 5.50 1357 1262 A 32 PHE HA A 44 ILE H 1.0 . 5.03 1358 1263 A 45 PRO HA A 44 ILE H 1.0 . 5.50 1359 1264 A 44 ILE H A 45 PRO HDy 1.0 . 5.10 1360 1265 A 44 ILE H A 45 PRO HDx 1.0 . 5.10 1361 1266 A 57 LEU HD2% A 44 ILE H 1.0 . 5.50 1362 1267 A 48 LYS HGy A 53 PHE H 1.0 . 5.50 1363 1268 A 54 VAL H A 49 SER HBx 1.0 . 5.05 1364 1268 A 54 VAL H A 49 SER HBy 1.0 . 5.05 1365 1269 A 48 LYS HGy A 54 VAL H 1.0 . 5.50 1366 1270 A 46 LEU HG A 54 VAL H 1.0 . 4.41 1367 1271 A 96 VAL HA A 95 HIS H 1.0 . 4.88 1368 1272 A 57 LEU H A 19 PRO HGx 1.0 . 5.50 1369 1272 A 19 PRO HGy A 57 LEU H 1.0 . 5.50 1370 1273 A 59 LEU HD2% A 57 LEU H 1.0 . 5.18 1371 1274 A 59 LEU HD1% A 57 LEU H 1.0 . 4.58 1372 1275 A 20 THR HA A 57 LEU H 1.0 . 4.64 1373 1276 A 58 ASP H A 20 THR H 1.0 . 5.50 1374 1277 A 60 PRO HDx A 59 LEU H 1.0 . 4.88 1375 1278 A 64 HIS HD2 A 62 GLY H 1.0 . 5.50 1376 1279 A 95 HIS HA A 62 GLY H 1.0 . 4.91 1377 1280 A 97 LYS HA A 62 GLY H 1.0 . 4.56 1378 1281 A 62 GLY H A 97 LYS HGx 1.0 . 5.50 1379 1281 A 97 LYS HGy A 62 GLY H 1.0 . 5.50 1380 1282 A 62 GLY H A 63 GLU HBx 1.0 . 5.37 1381 1282 A 63 GLU HBy A 62 GLY H 1.0 . 5.37 1382 1283 A 66 TYR HD% A 64 HIS H 1.0 . 5.50 1383 1284 A 93 LEU HA A 64 HIS H 1.0 . 5.27 1384 1285 A 91 ASN HD2x A 66 TYR H 1.0 . 4.77 1385 1286 A 93 LEU H A 66 TYR H 1.0 . 4.56 1386 1287 A 37 PHE HE% A 66 TYR H 1.0 . 5.25 1387 1288 A 92 ASN HBx A 66 TYR H 1.0 . 4.58 1388 1289 A 94 ILE HG2% A 66 TYR H 1.0 . 4.41 1389 1290 A 67 LYS HEy A 68 PHE H 1.0 . 4.51 1390 1291 A 74 TRP HA A 68 PHE H 1.0 . 5.50 1391 1292 A 66 TYR HD% A 68 PHE H 1.0 . 4.98 1392 1293 A 74 TRP HE3 A 68 PHE H 1.0 . 4.57 1393 1294 A 68 PHE HE% A 68 PHE H 1.0 . 5.11 1394 1295 A 69 PHE H A 43 LYS HDx 1.0 . 5.05 1395 1295 A 43 LYS HDy A 69 PHE H 1.0 . 5.05 1396 1296 A 46 LEU HD1% A 69 PHE H 1.0 . 4.50 1397 1297 A 33 ILE HB A 69 PHE H 1.0 . 5.37 1398 1298 A 31 VAL HA A 69 PHE H 1.0 . 4.80 1399 1299 A 74 TRP HE3 A 69 PHE H 1.0 . 5.23 1400 1300 A 69 PHE H A 70 VAL H 1.0 . 4.58 1401 1301 A 69 PHE H A 68 PHE H 1.0 . 4.63 1402 1302 A 71 ASP H A 29 LYS H 1.0 . 4.64 1403 1303 A 71 ASP H A 73 GLN H 1.0 . 4.47 1404 1304 A 75 VAL HGy% A 71 ASP H 1.0 . 5.50 1405 1305 A 30 GLU HGx A 71 ASP H 1.0 . 4.94 1406 1306 A 72 GLY H A 70 VAL H 1.0 . 5.00 1407 1307 A 69 PHE HD% A 72 GLY H 1.0 . 4.49 1408 1308 A 73 GLN HBx A 72 GLY H 1.0 . 5.42 1409 1309 A 80 GLU HBx A 77 ASP H 1.0 . 4.63 1410 1310 A 68 PHE HBy A 77 ASP H 1.0 . 4.94 1411 1311 A 77 ASP H A 78 PRO HDy 1.0 . 4.99 1412 1312 A 78 PRO HDx A 77 ASP H 1.0 . 4.84 1413 1313 A 76 HIS HD2 A 77 ASP H 1.0 . 4.42 1414 1314 A 24 TRP HZ3 A 77 ASP H 1.0 . 4.63 1415 1315 A 76 HIS HD2 A 79 SER H 1.0 . 5.49 1416 1316 A 80 GLU HA A 79 SER H 1.0 . 5.20 1417 1317 A 79 SER H A 77 ASP HBy 1.0 . 4.80 1418 1318 A 79 SER H A 77 ASP HBx 1.0 . 4.80 1419 1319 A 82 VAL HGx% A 79 SER H 1.0 . 5.03 1420 1320 A 82 VAL HGy% A 79 SER H 1.0 . 5.50 1421 1321 A 80 GLU H A 77 ASP H 1.0 . 4.77 1422 1322 A 77 ASP H A 79 SER H 1.0 . 5.48 1423 1323 A 76 HIS HD2 A 80 GLU H 1.0 . 5.50 1424 1324 A 77 ASP HA A 80 GLU H 1.0 . 4.86 1425 1325 A 80 GLU H A 77 ASP HBx 1.0 . 4.72 1426 1326 A 93 LEU H A 82 VAL H 1.0 . 5.33 1427 1327 A 92 ASN HD2x A 82 VAL H 1.0 . 5.08 1428 1328 A 92 ASN HA A 82 VAL H 1.0 . 4.72 1429 1329 A 84 THR HA A 88 GLY H 1.0 . 5.48 1430 1330 A 88 GLY H A 85 SER HA 1.0 . 5.00 1431 1331 A 89 THR H A 85 SER HA 1.0 . 5.27 1432 1332 A 90 ILE HA A 89 THR H 1.0 . 5.27 1433 1333 A 89 THR H A 87 LEU H 1.0 . 4.60 1434 1334 A 82 VAL HA A 91 ASN H 1.0 . 4.72 1435 1335 A 90 ILE HG2% A 92 ASN H 1.0 . 5.00 1436 1336 A 76 HIS HBx A 92 ASN H 1.0 . 4.87 1437 1337 A 65 GLN HGx A 92 ASN H 1.0 . 5.50 1438 1338 A 67 LYS HA A 92 ASN H 1.0 . 4.66 1439 1339 A 92 ASN HD2x A 92 ASN H 1.0 . 4.46 1440 1340 A 66 TYR HE% A 92 ASN H 1.0 . 5.27 1441 1341 A 66 TYR HD% A 92 ASN H 1.0 . 4.96 1442 1342 A 91 ASN HD2x A 92 ASN H 1.0 . 4.51 1443 1343 A 92 ASN HD2y A 92 ASN H 1.0 . 4.89 1444 1344 A 65 GLN HA A 92 ASN H 1.0 . 5.44 1445 1345 A 81 PRO HBy A 93 LEU H 1.0 . 4.42 1446 1346 A 93 LEU H A 80 GLU HBy 1.0 . 4.73 1447 1347 A 81 PRO HA A 93 LEU H 1.0 . 5.35 1448 1348 A 65 GLN HA A 93 LEU H 1.0 . 4.91 1449 1349 A 66 TYR HD% A 93 LEU H 1.0 . 4.88 1450 1350 A 65 GLN HGx A 94 ILE H 1.0 . 5.45 1451 1351 A 65 GLN HBy A 94 ILE H 1.0 . 5.50 1452 1352 A 65 GLN HGy A 94 ILE H 1.0 . 4.65 1453 1353 A 95 HIS HA A 94 ILE H 1.0 . 5.13 1454 1354 A 68 PHE HBy A 70 VAL H 1.0 . 5.50 1455 1355 A 59 LEU HD1% A 96 VAL H 1.0 . 5.50 1456 1356 A 96 VAL H A 97 LYS HGx 1.0 . 5.36 1457 1356 A 97 LYS HGy A 96 VAL H 1.0 . 5.36 1458 1357 A 62 GLY HAy A 96 VAL H 1.0 . 4.86 1459 1358 A 62 GLY HAx A 96 VAL H 1.0 . 5.02 1460 1359 A 97 LYS HA A 96 VAL H 1.0 . 5.35 1461 1360 A 96 VAL H A 63 GLU H 1.0 . 5.02 1462 1361 A 97 LYS H A 61 GLU HBx 1.0 . 5.19 1463 1361 A 61 GLU HBy A 97 LYS H 1.0 . 5.19 1464 1362 A 97 LYS H A 97 LYS HEx 1.0 . 4.62 1465 1362 A 97 LYS HEy A 97 LYS H 1.0 . 4.62 1466 1363 A 61 GLU HA A 97 LYS H 1.0 . 4.41 1467 1364 A 101 PHE H A 99 SER H 1.0 . 4.87 1468 1365 A 101 PHE H A 98 LYS HGx 1.0 . 4.72 1469 1365 A 98 LYS HGy A 101 PHE H 1.0 . 4.72 1470 1366 A 103 VAL H A 101 PHE HBy 1.0 . 5.50 1471 1367 A 103 VAL H A 101 PHE HBx 1.0 . 5.50 1472 1368 A 105 ASP H A 103 VAL HB 1.0 . 4.76 1473 1369 A 73 GLN HA A 74 TRP HE1 1.0 . 5.50 1474 1370 A 74 TRP HE1 A 43 LYS HEy 1.0 . 4.98 1475 1371 A 74 TRP HE1 A 43 LYS HEx 1.0 . 4.98 1476 1372 A 74 TRP H A 74 TRP HE1 1.0 . 5.24 1477 1373 A 46 LEU HG A 46 LEU H 1.0 . 4.48 1478 1374 A 62 GLY H A 61 GLU HBx 1.0 . 4.05 1479 1374 A 61 GLU HBy A 62 GLY H 1.0 . 4.05 1480 1375 A 38 ASN HD2y A 34 SER HBy 1.0 . 4.94 1481 1376 A 38 ASN HD2y A 43 LYS HA 1.0 . 4.90 1482 1377 A 38 ASN HD2y A 34 SER HA 1.0 . 5.13 1483 1378 A 40 TRP HA A 38 ASN HD2y 1.0 . 4.39 1484 1379 A 83 VAL HGx% A 91 ASN HD2x 1.0 . 4.55 1485 1380 A 91 ASN HD2y A 85 SER HBy 1.0 . 4.72 1486 1381 A 91 ASN HD2y A 85 SER HBx 1.0 . 4.72 1487 1382 A 65 GLN HBx A 91 ASN HD2y 1.0 . 4.80 1488 1383 A 83 VAL HGy% A 91 ASN HD2y 1.0 . 4.48 1489 1384 A 83 VAL HGx% A 91 ASN HD2y 1.0 . 4.66 1490 1385 A 91 ASN HD2x A 85 SER HBy 1.0 . 5.50 1491 1386 A 91 ASN HD2x A 85 SER HBx 1.0 . 5.50 1492 1387 A 65 GLN HBx A 91 ASN HD2x 1.0 . 4.58 1493 1388 A 91 ASN HA A 91 ASN HD2x 1.0 . 4.84 1494 1389 A 40 TRP HZ2 A 91 ASN HD2x 1.0 . 4.47 1495 1390 A 40 TRP HH2 A 91 ASN HD2y 1.0 . 5.33 1496 1391 A 69 PHE HA A 70 VAL H 1.0 . 3.50 1497 1392 A 31 VAL HA A 70 VAL H 1.0 . 5.02 1498 1393 A 68 PHE HE% A 69 PHE H 1.0 . 5.50 1499 1394 A 10 SER H A 9 ASP HBy 1.0 . 5.32 1500 1395 A 10 SER H A 9 ASP HBx 1.0 . 5.32 1501 1396 A 10 SER HA A 11 VAL H 1.0 . 2.84 1502 1397 A 11 VAL H A 11 VAL HB 1.0 . 3.96 1503 1398 A 12 LYS H A 11 VAL H 1.0 . 4.37 1504 1399 A 12 LYS H A 11 VAL HA 1.0 . 2.44 1505 1400 A 12 LYS H A 11 VAL HB 1.0 . 4.33 1506 1401 A 12 LYS H A 11 VAL HGx% 1.0 . 4.75 1507 1402 A 12 LYS H A 11 VAL HGy% 1.0 . 4.75 1508 1403 A 81 PRO HA A 82 VAL H 1.0 . 2.40 1509 1404 A 82 VAL HB A 82 VAL H 1.0 . 3.76 1510 1405 A 13 PRO HBy A 14 THR H 1.0 . 3.91 1511 1406 A 14 THR H A 13 PRO HDx 1.0 . 4.70 1512 1407 A 14 THR H A 13 PRO HDy 1.0 . 4.70 1513 1408 A 14 THR HB A 14 THR H 1.0 . 3.80 1514 1409 A 14 THR HG1 A 14 THR H 1.0 . 3.44 1515 1410 A 14 THR HA A 15 GLN H 1.0 . 2.72 1516 1411 A 14 THR HB A 15 GLN H 1.0 . 3.99 1517 1412 A 14 THR HG1 A 15 GLN H 1.0 . 4.73 1518 1413 A 15 GLN HBx A 15 GLN H 1.0 . 3.24 1519 1414 A 15 GLN HBy A 15 GLN H 1.0 . 3.76 1520 1415 A 15 GLN H A 15 GLN HGy 1.0 . 4.94 1521 1416 A 15 GLN H A 15 GLN HGx 1.0 . 4.94 1522 1417 A 15 GLN HA A 16 GLN H 1.0 . 2.68 1523 1418 A 16 GLN H A 16 GLN HBy 1.0 . 3.37 1524 1419 A 16 GLN H A 16 GLN HBx 1.0 . 3.37 1525 1420 A 16 GLN HA A 17 ALA H 1.0 . 2.55 1526 1421 A 17 ALA H A 16 GLN HBy 1.0 . 4.34 1527 1422 A 17 ALA H A 16 GLN HBx 1.0 . 4.34 1528 1423 A 17 ALA HB% A 17 ALA H 1.0 . 3.08 1529 1424 A 17 ALA HA A 18 ARG H 1.0 . 2.96 1530 1425 A 19 PRO HA A 20 THR H 1.0 . 3.09 1531 1426 A 56 ILE HA A 20 THR H 1.0 . 3.55 1532 1427 A 20 THR H A 19 PRO HBy 1.0 . 3.85 1533 1428 A 20 THR H A 19 PRO HBx 1.0 . 3.85 1534 1429 A 20 THR H A 19 PRO HGx 1.0 . 4.64 1535 1429 A 19 PRO HGy A 20 THR H 1.0 . 4.64 1536 1430 A 20 THR HB A 20 THR H 1.0 . 3.31 1537 1431 A 20 THR HG2% A 20 THR H 1.0 . 3.42 1538 1432 A 21 VAL H A 20 THR H 1.0 . 4.76 1539 1433 A 20 THR HA A 21 VAL H 1.0 . 3.03 1540 1434 A 20 THR HB A 21 VAL H 1.0 . 4.45 1541 1435 A 20 THR HG2% A 21 VAL H 1.0 . 3.67 1542 1436 A 21 VAL H A 21 VAL HB 1.0 . 3.42 1543 1437 A 22 ILE H A 21 VAL H 1.0 . 4.28 1544 1438 A 21 VAL HA A 22 ILE H 1.0 . 3.11 1545 1439 A 22 ILE H A 21 VAL HB 1.0 . 4.61 1546 1440 A 21 VAL HG1% A 22 ILE H 1.0 . 3.42 1547 1441 A 22 ILE HB A 22 ILE H 1.0 . 3.43 1548 1442 A 20 THR HG2% A 22 ILE H 1.0 . 3.68 1549 1443 A 22 ILE HG2% A 22 ILE H 1.0 . 4.06 1550 1444 A 22 ILE HA A 23 ARG H 1.0 . 3.24 1551 1445 A 22 ILE HG2% A 23 ARG H 1.0 . 3.46 1552 1446 A 23 ARG H A 23 ARG HBx 1.0 . 3.96 1553 1447 A 23 ARG H A 23 ARG HBy 1.0 . 3.96 1554 1448 A 23 ARG HA A 24 TRP H 1.0 . 3.24 1555 1449 A 24 TRP H A 23 ARG HBx 1.0 . 4.40 1556 1450 A 24 TRP H A 23 ARG HBy 1.0 . 4.40 1557 1451 A 53 PHE HBy A 24 TRP H 1.0 . 4.57 1558 1452 A 24 TRP HBy A 24 TRP H 1.0 . 3.92 1559 1453 A 24 TRP HBx A 24 TRP H 1.0 . 4.12 1560 1454 A 53 PHE HBx A 24 TRP H 1.0 . 4.37 1561 1455 A 24 TRP HBy A 24 TRP HE1 1.0 . 4.99 1562 1456 A 53 PHE HBx A 24 TRP HE1 1.0 . 5.50 1563 1457 A 24 TRP HA A 25 SER H 1.0 . 3.08 1564 1458 A 24 TRP HBy A 25 SER H 1.0 . 4.43 1565 1459 A 24 TRP HBx A 25 SER H 1.0 . 4.36 1566 1460 A 27 GLY H A 26 GLU HBy 1.0 . 3.72 1567 1461 A 27 GLY H A 26 GLU HBx 1.0 . 3.72 1568 1462 A 27 GLY H A 26 GLU HGy 1.0 . 4.41 1569 1463 A 27 GLY H A 27 GLY HAx 1.0 . 2.92 1570 1464 A 27 GLY H A 28 GLY H 1.0 . 3.35 1571 1465 A 28 GLY H A 27 GLY HAx 1.0 . 2.97 1572 1466 A 29 LYS H A 28 GLY H 1.0 . 4.43 1573 1467 A 28 GLY HAx A 29 LYS H 1.0 . 3.40 1574 1468 A 28 GLY HAy A 29 LYS H 1.0 . 3.34 1575 1469 A 29 LYS H A 29 LYS HBx 1.0 . 3.06 1576 1469 A 29 LYS HBy A 29 LYS H 1.0 . 3.06 1577 1470 A 30 GLU H A 29 LYS HBx 1.0 . 2.88 1578 1470 A 29 LYS HBy A 30 GLU H 1.0 . 2.88 1579 1471 A 30 GLU H A 29 LYS HGy 1.0 . 4.87 1580 1472 A 30 GLU H A 29 LYS HGx 1.0 . 4.87 1581 1473 A 30 GLU HA A 31 VAL H 1.0 . 3.13 1582 1474 A 30 GLU HGy A 31 VAL H 1.0 . 5.01 1583 1475 A 31 VAL H A 31 VAL HGx% 1.0 . 4.21 1584 1476 A 31 VAL H A 31 VAL HGy% 1.0 . 4.21 1585 1477 A 31 VAL H A 32 PHE H 1.0 . 4.64 1586 1478 A 31 VAL HB A 32 PHE H 1.0 . 4.07 1587 1479 A 32 PHE H A 31 VAL HGx% 1.0 . 4.16 1588 1480 A 32 PHE H A 31 VAL HGy% 1.0 . 4.16 1589 1481 A 32 PHE HBx A 33 ILE H 1.0 . 4.20 1590 1482 A 33 ILE HG21 A 33 ILE H 1.0 . 3.58 1591 1483 A 33 ILE HA A 34 SER H 1.0 . 3.20 1592 1484 A 33 ILE HB A 34 SER H 1.0 . 4.22 1593 1485 A 33 ILE HG21 A 34 SER H 1.0 . 4.33 1594 1486 A 35 GLY H A 34 SER H 1.0 . 4.32 1595 1487 A 35 GLY H A 34 SER HA 1.0 . 3.48 1596 1488 A 36 SER H A 36 SER HBy 1.0 . 3.88 1597 1489 A 36 SER H A 36 SER HBx 1.0 . 3.88 1598 1490 A 36 SER H A 37 PHE H 1.0 . 3.42 1599 1491 A 37 PHE H A 36 SER HBy 1.0 . 4.43 1600 1492 A 37 PHE H A 36 SER HBx 1.0 . 4.43 1601 1493 A 37 PHE H A 37 PHE HBy 1.0 . 3.68 1602 1494 A 37 PHE H A 37 PHE HBx 1.0 . 3.68 1603 1495 A 38 ASN H A 36 SER H 1.0 . 4.39 1604 1496 A 38 ASN H A 37 PHE H 1.0 . 3.22 1605 1497 A 38 ASN H A 38 ASN HBx 1.0 . 3.66 1606 1498 A 38 ASN HBy A 38 ASN H 1.0 . 3.91 1607 1499 A 38 ASN H A 39 ASN H 1.0 . 2.85 1608 1500 A 38 ASN HD2x A 38 ASN HA 1.0 . 4.61 1609 1501 A 38 ASN HD2y A 38 ASN HA 1.0 . 5.17 1610 1502 A 37 PHE H A 39 ASN H 1.0 . 3.97 1611 1503 A 38 ASN HA A 39 ASN H 1.0 . 3.55 1612 1504 A 38 ASN HBx A 39 ASN H 1.0 . 4.45 1613 1505 A 39 ASN HA A 39 ASN H 1.0 . 2.83 1614 1506 A 39 ASN HBx A 39 ASN H 1.0 . 3.84 1615 1507 A 39 ASN HBy A 39 ASN H 1.0 . 3.49 1616 1508 A 38 ASN HD2x A 39 ASN H 1.0 . 4.75 1617 1509 A 40 TRP H A 37 PHE H 1.0 . 4.87 1618 1510 A 40 TRP H A 39 ASN H 1.0 . 3.37 1619 1511 A 39 ASN HBx A 40 TRP H 1.0 . 4.48 1620 1512 A 39 ASN HBy A 40 TRP H 1.0 . 4.48 1621 1513 A 40 TRP HBy A 40 TRP H 1.0 . 3.67 1622 1514 A 39 ASN H A 41 SER H 1.0 . 4.72 1623 1515 A 40 TRP H A 41 SER H 1.0 . 3.32 1624 1516 A 40 TRP HA A 41 SER H 1.0 . 3.22 1625 1517 A 39 ASN HBx A 41 SER H 1.0 . 3.73 1626 1518 A 38 ASN HBy A 41 SER H 1.0 . 4.46 1627 1519 A 40 TRP HBy A 41 SER H 1.0 . 4.85 1628 1520 A 41 SER H A 41 SER HBx 1.0 . 3.05 1629 1520 A 41 SER HBy A 41 SER H 1.0 . 3.05 1630 1521 A 40 TRP H A 42 THR H 1.0 . 4.36 1631 1522 A 41 SER H A 42 THR H 1.0 . 2.77 1632 1523 A 42 THR H A 41 SER HA 1.0 . 3.34 1633 1524 A 42 THR H A 41 SER HBx 1.0 . 3.75 1634 1524 A 41 SER HBy A 42 THR H 1.0 . 3.75 1635 1525 A 42 THR HG2% A 42 THR H 1.0 . 3.01 1636 1526 A 43 LYS HA A 44 ILE H 1.0 . 3.53 1637 1527 A 44 ILE H A 43 LYS HDx 1.0 . 5.37 1638 1527 A 43 LYS HDy A 44 ILE H 1.0 . 5.37 1639 1528 A 43 LYS HBx A 44 ILE H 1.0 . 4.22 1640 1529 A 32 PHE HA A 46 LEU H 1.0 . 3.70 1641 1530 A 32 PHE HD% A 46 LEU H 1.0 . 4.42 1642 1531 A 46 LEU HBx A 46 LEU H 1.0 . 3.68 1643 1532 A 46 LEU HD1% A 46 LEU H 1.0 . 3.23 1644 1533 A 47 ILE HA A 48 LYS H 1.0 . 2.88 1645 1534 A 47 ILE HB A 48 LYS H 1.0 . 4.49 1646 1535 A 47 ILE HG2% A 48 LYS H 1.0 . 3.08 1647 1536 A 48 LYS HBy A 48 LYS H 1.0 . 3.17 1648 1537 A 48 LYS H A 48 LYS HBx 1.0 . 3.10 1649 1538 A 48 LYS HBy A 49 SER H 1.0 . 4.73 1650 1539 A 49 SER H A 48 LYS HBx 1.0 . 4.03 1651 1540 A 51 ASN HA A 51 ASN HD2x 1.0 . 4.28 1652 1541 A 51 ASN HA A 51 ASN HD2y 1.0 . 4.46 1653 1542 A 51 ASN HD2x A 51 ASN HBy 1.0 . 3.44 1654 1543 A 51 ASN HD2y A 51 ASN HBy 1.0 . 3.95 1655 1544 A 51 ASN HD2x A 51 ASN HBx 1.0 . 3.44 1656 1545 A 51 ASN HD2y A 51 ASN HBx 1.0 . 3.95 1657 1546 A 49 SER H A 52 ASP H 1.0 . 4.04 1658 1547 A 52 ASP H A 51 ASN HBy 1.0 . 4.03 1659 1548 A 52 ASP H A 51 ASN HBx 1.0 . 4.03 1660 1549 A 53 PHE H A 52 ASP H 1.0 . 4.42 1661 1550 A 52 ASP HA A 53 PHE H 1.0 . 3.13 1662 1551 A 53 PHE H A 52 ASP HBy 1.0 . 3.57 1663 1552 A 53 PHE H A 52 ASP HBx 1.0 . 3.57 1664 1553 A 53 PHE HBx A 53 PHE H 1.0 . 3.65 1665 1554 A 53 PHE HBy A 53 PHE H 1.0 . 3.73 1666 1555 A 53 PHE H A 54 VAL H 1.0 . 4.60 1667 1556 A 53 PHE HA A 54 VAL H 1.0 . 3.21 1668 1557 A 53 PHE HBx A 54 VAL H 1.0 . 4.09 1669 1558 A 53 PHE HBy A 54 VAL H 1.0 . 4.30 1670 1559 A 55 ALA HB% A 56 ILE H 1.0 . 3.52 1671 1560 A 56 ILE HG1x A 56 ILE H 1.0 . 4.05 1672 1561 A 56 ILE HD1% A 56 ILE H 1.0 . 3.95 1673 1562 A 56 ILE HG2% A 56 ILE H 1.0 . 4.15 1674 1563 A 56 ILE HA A 57 LEU H 1.0 . 3.02 1675 1564 A 56 ILE HG1x A 57 LEU H 1.0 . 5.20 1676 1565 A 56 ILE HG2% A 57 LEU H 1.0 . 3.32 1677 1566 A 57 LEU HBy A 57 LEU H 1.0 . 3.96 1678 1567 A 56 ILE HD1% A 57 LEU H 1.0 . 3.90 1679 1568 A 57 LEU HD1% A 57 LEU H 1.0 . 4.21 1680 1569 A 57 LEU HD2% A 57 LEU H 1.0 . 3.88 1681 1570 A 58 ASP H A 57 LEU H 1.0 . 4.32 1682 1571 A 57 LEU HA A 58 ASP H 1.0 . 2.84 1683 1572 A 57 LEU HBy A 58 ASP H 1.0 . 3.86 1684 1573 A 57 LEU HBx A 58 ASP H 1.0 . 3.52 1685 1574 A 57 LEU HD1% A 58 ASP H 1.0 . 4.96 1686 1575 A 58 ASP H A 58 ASP HBx 1.0 . 2.89 1687 1575 A 58 ASP HBy A 58 ASP H 1.0 . 2.89 1688 1576 A 59 LEU H A 58 ASP H 1.0 . 4.60 1689 1577 A 58 ASP HA A 59 LEU H 1.0 . 3.08 1690 1578 A 59 LEU H A 58 ASP HBx 1.0 . 3.85 1691 1578 A 58 ASP HBy A 59 LEU H 1.0 . 3.85 1692 1579 A 60 PRO HA A 61 GLU H 1.0 . 2.98 1693 1580 A 60 PRO HBx A 61 GLU H 1.0 . 3.20 1694 1581 A 60 PRO HBy A 61 GLU H 1.0 . 4.26 1695 1582 A 61 GLU H A 61 GLU HBx 1.0 . 2.70 1696 1582 A 61 GLU HBy A 61 GLU H 1.0 . 2.70 1697 1583 A 62 GLY H A 61 GLU H 1.0 . 4.61 1698 1584 A 61 GLU HA A 62 GLY H 1.0 . 3.07 1699 1585 A 96 VAL HB A 62 GLY H 1.0 . 3.32 1700 1586 A 62 GLY H A 63 GLU H 1.0 . 4.47 1701 1587 A 62 GLY HAy A 63 GLU H 1.0 . 3.28 1702 1588 A 62 GLY HAx A 63 GLU H 1.0 . 2.78 1703 1589 A 63 GLU H A 63 GLU HBx 1.0 . 2.78 1704 1589 A 63 GLU HBy A 63 GLU H 1.0 . 2.78 1705 1590 A 64 HIS H A 63 GLU H 1.0 . 4.63 1706 1591 A 64 HIS H A 63 GLU HBx 1.0 . 4.21 1707 1591 A 63 GLU HBy A 64 HIS H 1.0 . 4.21 1708 1592 A 63 GLU HA A 64 HIS H 1.0 . 3.29 1709 1593 A 64 HIS HBy A 64 HIS H 1.0 . 3.61 1710 1594 A 65 GLN H A 64 HIS H 1.0 . 4.41 1711 1595 A 64 HIS HA A 65 GLN H 1.0 . 3.42 1712 1596 A 64 HIS HBy A 65 GLN H 1.0 . 4.00 1713 1597 A 64 HIS HBx A 65 GLN H 1.0 . 4.29 1714 1598 A 65 GLN HA A 65 GLN HE2y 1.0 . 5.50 1715 1599 A 65 GLN HBx A 65 GLN HE2y 1.0 . 5.01 1716 1600 A 65 GLN HGy A 65 GLN HE2y 1.0 . 3.77 1717 1601 A 65 GLN HA A 66 TYR H 1.0 . 3.25 1718 1602 A 65 GLN HBy A 66 TYR H 1.0 . 4.42 1719 1603 A 65 GLN HGx A 66 TYR H 1.0 . 4.43 1720 1604 A 66 TYR HBy A 66 TYR H 1.0 . 4.11 1721 1605 A 66 TYR HA A 67 LYS H 1.0 . 3.51 1722 1606 A 66 TYR HBx A 67 LYS H 1.0 . 3.50 1723 1607 A 68 PHE HA A 69 PHE H 1.0 . 3.45 1724 1608 A 68 PHE HBy A 69 PHE H 1.0 . 4.22 1725 1609 A 68 PHE HBx A 69 PHE H 1.0 . 4.08 1726 1610 A 69 PHE HD% A 69 PHE H 1.0 . 4.32 1727 1611 A 70 VAL HB A 70 VAL H 1.0 . 3.48 1728 1612 A 70 VAL HGx% A 70 VAL H 1.0 . 4.09 1729 1613 A 71 ASP H A 70 VAL H 1.0 . 4.58 1730 1614 A 70 VAL HA A 71 ASP H 1.0 . 3.17 1731 1615 A 70 VAL HB A 71 ASP H 1.0 . 4.32 1732 1616 A 70 VAL HGx% A 71 ASP H 1.0 . 3.45 1733 1617 A 70 VAL HGy% A 71 ASP H 1.0 . 4.15 1734 1618 A 71 ASP H A 71 ASP HBy 1.0 . 4.01 1735 1619 A 71 ASP H A 71 ASP HBx 1.0 . 4.01 1736 1620 A 72 GLY H A 71 ASP H 1.0 . 3.62 1737 1621 A 72 GLY H A 71 ASP HA 1.0 . 3.29 1738 1622 A 72 GLY H A 71 ASP HBy 1.0 . 4.76 1739 1623 A 72 GLY H A 71 ASP HBx 1.0 . 4.76 1740 1624 A 72 GLY H A 73 GLN H 1.0 . 3.13 1741 1625 A 73 GLN H A 72 GLY HAy 1.0 . 3.55 1742 1626 A 73 GLN H A 72 GLY HAx 1.0 . 3.55 1743 1627 A 73 GLN HBy A 73 GLN H 1.0 . 4.01 1744 1628 A 73 GLN HBx A 73 GLN H 1.0 . 3.41 1745 1629 A 74 TRP H A 73 GLN H 1.0 . 4.51 1746 1630 A 73 GLN HA A 74 TRP H 1.0 . 2.82 1747 1631 A 73 GLN HBy A 74 TRP H 1.0 . 3.47 1748 1632 A 73 GLN HBx A 74 TRP H 1.0 . 4.05 1749 1633 A 74 TRP HBy A 74 TRP H 1.0 . 3.80 1750 1634 A 74 TRP HBx A 74 TRP H 1.0 . 3.45 1751 1635 A 74 TRP HBx A 74 TRP HE1 1.0 . 4.92 1752 1636 A 74 TRP H A 75 VAL H 1.0 . 4.49 1753 1637 A 74 TRP HA A 75 VAL H 1.0 . 3.36 1754 1638 A 74 TRP HBy A 75 VAL H 1.0 . 4.32 1755 1639 A 74 TRP HBx A 75 VAL H 1.0 . 4.49 1756 1640 A 75 VAL HB A 75 VAL H 1.0 . 3.85 1757 1641 A 76 HIS H A 75 VAL H 1.0 . 4.74 1758 1642 A 76 HIS H A 75 VAL HA 1.0 . 2.84 1759 1643 A 75 VAL HB A 76 HIS H 1.0 . 2.92 1760 1644 A 75 VAL HGx% A 76 HIS H 1.0 . 3.88 1761 1645 A 75 VAL HGy% A 76 HIS H 1.0 . 3.31 1762 1646 A 76 HIS HBy A 76 HIS H 1.0 . 4.16 1763 1647 A 76 HIS HBx A 76 HIS H 1.0 . 3.51 1764 1648 A 76 HIS H A 77 ASP H 1.0 . 4.49 1765 1649 A 76 HIS HA A 77 ASP H 1.0 . 3.49 1766 1650 A 76 HIS HBy A 77 ASP H 1.0 . 3.71 1767 1651 A 76 HIS HBx A 77 ASP H 1.0 . 4.29 1768 1652 A 78 PRO HBy A 79 SER H 1.0 . 4.42 1769 1653 A 78 PRO HBx A 79 SER H 1.0 . 3.81 1770 1654 A 80 GLU HBx A 79 SER H 1.0 . 4.99 1771 1655 A 79 SER H A 79 SER HBx 1.0 . 3.50 1772 1656 A 79 SER H A 78 PRO HDy 1.0 . 3.31 1773 1657 A 79 SER H A 79 SER HBy 1.0 . 3.50 1774 1658 A 80 GLU H A 79 SER H 1.0 . 2.89 1775 1659 A 80 GLU H A 79 SER HA 1.0 . 3.48 1776 1660 A 80 GLU H A 79 SER HBx 1.0 . 4.02 1777 1661 A 80 GLU H A 79 SER HBy 1.0 . 4.02 1778 1662 A 82 VAL HA A 83 VAL H 1.0 . 3.12 1779 1663 A 82 VAL HB A 83 VAL H 1.0 . 3.05 1780 1664 A 83 VAL HGx% A 83 VAL H 1.0 . 2.95 1781 1665 A 83 VAL H A 84 THR H 1.0 . 4.44 1782 1666 A 83 VAL HA A 84 THR H 1.0 . 2.61 1783 1667 A 83 VAL HGy% A 84 THR H 1.0 . 2.87 1784 1668 A 84 THR HB A 84 THR H 1.0 . 2.85 1785 1669 A 85 SER H A 84 THR H 1.0 . 4.46 1786 1670 A 84 THR HA A 85 SER H 1.0 . 3.19 1787 1671 A 84 THR HB A 85 SER H 1.0 . 4.35 1788 1672 A 84 THR HG2% A 85 SER H 1.0 . 3.16 1789 1673 A 88 GLY H A 87 LEU H 1.0 . 3.88 1790 1674 A 88 GLY H A 88 GLY HAy 1.0 . 2.95 1791 1675 A 88 GLY H A 88 GLY HAx 1.0 . 2.95 1792 1676 A 89 THR H A 88 GLY H 1.0 . 2.94 1793 1677 A 89 THR H A 88 GLY HAy 1.0 . 3.55 1794 1678 A 89 THR H A 88 GLY HAx 1.0 . 3.55 1795 1679 A 89 THR HB A 89 THR H 1.0 . 3.88 1796 1680 A 90 ILE H A 89 THR H 1.0 . 4.43 1797 1681 A 89 THR HA A 90 ILE H 1.0 . 2.70 1798 1682 A 89 THR HB A 90 ILE H 1.0 . 3.75 1799 1683 A 90 ILE HG1y A 90 ILE H 1.0 . 3.53 1800 1684 A 90 ILE HG1x A 90 ILE H 1.0 . 2.88 1801 1685 A 90 ILE HA A 91 ASN H 1.0 . 2.84 1802 1686 A 90 ILE HG2% A 91 ASN H 1.0 . 3.10 1803 1687 A 91 ASN HBy A 91 ASN H 1.0 . 3.95 1804 1688 A 91 ASN HBx A 91 ASN H 1.0 . 3.70 1805 1689 A 91 ASN H A 92 ASN H 1.0 . 4.48 1806 1690 A 91 ASN HA A 92 ASN H 1.0 . 3.20 1807 1691 A 91 ASN HBy A 92 ASN H 1.0 . 3.67 1808 1692 A 92 ASN HBy A 92 ASN H 1.0 . 3.42 1809 1693 A 93 LEU H A 92 ASN H 1.0 . 4.70 1810 1694 A 92 ASN HA A 93 LEU H 1.0 . 3.29 1811 1695 A 92 ASN HBy A 93 LEU H 1.0 . 3.72 1812 1696 A 93 LEU HBy A 93 LEU H 1.0 . 3.48 1813 1697 A 93 LEU HBx A 93 LEU H 1.0 . 3.52 1814 1698 A 94 ILE H A 93 LEU H 1.0 . 4.35 1815 1699 A 93 LEU HA A 94 ILE H 1.0 . 3.09 1816 1700 A 93 LEU HBy A 94 ILE H 1.0 . 4.53 1817 1701 A 93 LEU HBx A 94 ILE H 1.0 . 4.25 1818 1702 A 94 ILE HB A 94 ILE H 1.0 . 4.00 1819 1703 A 95 HIS H A 94 ILE H 1.0 . 4.56 1820 1704 A 94 ILE HA A 95 HIS H 1.0 . 3.11 1821 1705 A 94 ILE HB A 95 HIS H 1.0 . 4.07 1822 1706 A 75 VAL HGy% A 70 VAL H 1.0 . 3.06 1823 1707 A 95 HIS H A 94 ILE HG1y 1.0 . 3.46 1824 1708 A 95 HIS H A 94 ILE HG1x 1.0 . 3.46 1825 1709 A 95 HIS H A 95 HIS HBy 1.0 . 3.85 1826 1710 A 95 HIS H A 95 HIS HBx 1.0 . 3.85 1827 1711 A 96 VAL H A 95 HIS H 1.0 . 4.12 1828 1712 A 95 HIS HA A 96 VAL H 1.0 . 3.08 1829 1713 A 96 VAL H A 95 HIS HBy 1.0 . 4.67 1830 1714 A 96 VAL H A 95 HIS HBx 1.0 . 4.67 1831 1715 A 96 VAL HB A 96 VAL H 1.0 . 3.48 1832 1716 A 96 VAL H A 97 LYS H 1.0 . 4.79 1833 1717 A 96 VAL HA A 97 LYS H 1.0 . 2.67 1834 1718 A 96 VAL HB A 97 LYS H 1.0 . 4.03 1835 1719 A 96 VAL HGx% A 97 LYS H 1.0 . 3.06 1836 1720 A 96 VAL HGy% A 97 LYS H 1.0 . 3.99 1837 1721 A 97 LYS HBy A 97 LYS H 1.0 . 3.75 1838 1722 A 97 LYS HBx A 97 LYS H 1.0 . 3.96 1839 1723 A 97 LYS HA A 98 LYS H 1.0 . 2.78 1840 1724 A 97 LYS HBx A 98 LYS H 1.0 . 3.62 1841 1725 A 98 LYS H A 97 LYS HEx 1.0 . 5.50 1842 1725 A 97 LYS HEy A 98 LYS H 1.0 . 5.50 1843 1726 A 98 LYS H A 97 LYS HGx 1.0 . 4.31 1844 1726 A 97 LYS HGy A 98 LYS H 1.0 . 4.31 1845 1727 A 97 LYS HBy A 98 LYS H 1.0 . 3.03 1846 1728 A 98 LYS HA A 99 SER H 1.0 . 2.84 1847 1729 A 99 SER H A 98 LYS HGx 1.0 . 3.72 1848 1729 A 98 LYS HGy A 99 SER H 1.0 . 3.72 1849 1730 A 99 SER H A 99 SER HBx 1.0 . 3.26 1850 1730 A 99 SER HBy A 99 SER H 1.0 . 3.26 1851 1731 A 100 ASP H A 99 SER H 1.0 . 3.61 1852 1732 A 100 ASP H A 99 SER HA 1.0 . 3.19 1853 1733 A 100 ASP H A 99 SER HBx 1.0 . 4.01 1854 1733 A 99 SER HBy A 100 ASP H 1.0 . 4.01 1855 1734 A 100 ASP H A 100 ASP HBy 1.0 . 3.51 1856 1735 A 100 ASP H A 100 ASP HBx 1.0 . 3.51 1857 1736 A 100 ASP H A 101 PHE H 1.0 . 3.04 1858 1737 A 101 PHE H A 101 PHE HBy 1.0 . 2.98 1859 1738 A 102 GLU H A 101 PHE H 1.0 . 2.77 1860 1739 A 102 GLU H A 101 PHE HBy 1.0 . 3.95 1861 1740 A 102 GLU H A 101 PHE HBx 1.0 . 4.21 1862 1741 A 102 GLU HA A 102 GLU H 1.0 . 2.82 1863 1742 A 102 GLU H A 103 VAL H 1.0 . 3.29 1864 1743 A 103 VAL H A 102 GLU HGy 1.0 . 4.77 1865 1744 A 103 VAL H A 103 VAL HB 1.0 . 2.96 1866 1745 A 104 PHE H A 105 ASP H 1.0 . 2.94 1867 1746 A 103 VAL HA A 104 PHE H 1.0 . 2.40 1868 1747 A 104 PHE H A 103 VAL HB 1.0 . 4.18 1869 1748 A 105 ASP H A 104 PHE HBy 1.0 . 4.15 1870 1749 A 105 ASP H A 104 PHE HBx 1.0 . 4.15 1871 1750 A 57 LEU HD1% A 20 THR H 1.0 . 5.03 1872 1751 A 56 ILE H A 20 THR H 1.0 . 5.50 1873 1752 A 57 LEU HD2% A 56 ILE H 1.0 . 4.68 1874 1753 A 91 ASN H A 84 THR H 1.0 . 5.12 1875 1754 A 65 GLN HBx A 65 GLN HE2x 1.0 . 4.27 1876 1755 A 65 GLN HA A 65 GLN HE2x 1.0 . 4.66 1877 1756 A 73 GLN HE2x A 73 GLN HBx 1.0 . 4.42 1878 1757 A 73 GLN HBx A 73 GLN HE2y 1.0 . 4.56 1879 1758 A 80 GLU H A 80 GLU HBy 1.0 . 3.67 1880 1759 A 39 ASN HBx A 39 ASN HD2x 1.0 . 3.77 1881 1760 A 75 VAL HGy% A 77 ASP H 1.0 . 5.14 1882 1761 A 76 HIS HA A 92 ASN HD2y 1.0 . 4.75 1883 1762 A 92 ASN HA A 92 ASN HD2y 1.0 . 5.08 1884 1763 A 82 VAL HA A 92 ASN HD2y 1.0 . 5.12 1885 1764 A 92 ASN HD2x A 82 VAL HA 1.0 . 4.68 1886 1765 A 92 ASN HD2x A 80 GLU H 1.0 . 5.02 1887 1766 A 92 ASN HD2x A 80 GLU HBx 1.0 . 5.13 1888 1767 A 92 ASN HD2x A 80 GLU HBy 1.0 . 5.14 1889 1768 A 92 ASN HD2y A 80 GLU HBy 1.0 . 4.92 1890 1769 A 92 ASN HD2y A 80 GLU HBx 1.0 . 4.87 1891 1770 A 76 HIS HBy A 92 ASN HD2y 1.0 . 5.07 1892 1771 A 76 HIS HD2 A 92 ASN HD2y 1.0 . 4.92 1893 1772 A 38 ASN HD2y A 35 GLY HAy 1.0 . 5.02 1894 1773 A 38 ASN HD2x A 44 ILE HG1x 1.0 . 5.50 1895 1774 A 70 VAL HB A 24 TRP HE1 1.0 . 4.76 1896 1775 A 75 VAL HGx% A 73 GLN HE2y 1.0 . 4.16 1897 1776 A 87 LEU HD2% A 87 LEU H 1.0 . 4.63 1898 1777 A 75 VAL H A 73 GLN H 1.0 . 5.50 1899 1778 A 74 TRP HE1 A 43 LYS HDx 1.0 . 5.50 1900 1778 A 43 LYS HDy A 74 TRP HE1 1.0 . 5.50 1901 1779 A 38 ASN HD2y A 41 SER H 1.0 . 4.40 1902 1780 A 38 ASN H A 41 SER H 1.0 . 5.10 1903 1781 A 42 THR HA A 41 SER H 1.0 . 5.02 1904 1782 A 38 ASN HA A 41 SER H 1.0 . 4.94 1905 1783 A 65 GLN H A 66 TYR H 1.0 . 4.51 1906 1784 A 66 TYR HA A 34 SER H 1.0 . 4.75 1907 1785 A 34 SER HA A 40 TRP H 1.0 . 5.45 1908 1786 A 89 THR HA A 85 SER H 1.0 . 4.83 1909 1787 A 40 TRP HZ2 A 66 TYR H 1.0 . 4.91 1910 1788 A 40 TRP HH2 A 66 TYR H 1.0 . 4.32 1911 1789 A 25 SER H A 53 PHE H 1.0 . 5.36 1912 1790 A 70 VAL HA A 72 GLY H 1.0 . 4.20 1913 1791 A 30 GLU HGx A 29 LYS H 1.0 . 4.59 1914 1792 A 53 PHE HD% A 24 TRP H 1.0 . 4.71 1915 1793 A 70 VAL HGx% A 27 GLY H 1.0 . 4.66 1916 1794 A 34 SER H A 67 LYS HBx 1.0 . 4.52 1917 1794 A 67 LYS HBy A 34 SER H 1.0 . 4.52 1918 1795 A 3 MET H A 3 MET HBx 1.0 . 3.60 1919 1795 A 3 MET H A 3 MET HBy 1.0 . 3.60 1920 1796 A 5 ILE HA A 4 GLY HAx 1.0 . 4.76 1921 1796 A 5 ILE HA A 4 GLY HAy 1.0 . 4.76 1922 1797 A 6 ARG HA A 6 ARG HGy 1.0 . 3.52 1923 1797 A 6 ARG HA A 6 ARG HGx 1.0 . 3.52 1924 1798 A 6 ARG HA A 6 ARG HDy 1.0 . 4.23 1925 1798 A 6 ARG HA A 6 ARG HDx 1.0 . 4.23 1926 1799 A 6 ARG HBx A 6 ARG HDy 1.0 . 3.27 1927 1799 A 6 ARG HDx A 6 ARG HBy 1.0 . 3.27 1928 1799 A 6 ARG HDx A 6 ARG HBx 1.0 . 3.27 1929 1799 A 6 ARG HBy A 6 ARG HDy 1.0 . 3.27 1930 1800 A 10 SER H A 10 SER HBy 1.0 . 3.54 1931 1800 A 10 SER H A 10 SER HBx 1.0 . 3.54 1932 1801 A 10 SER HA A 11 VAL HGy% 1.0 . 4.78 1933 1801 A 10 SER HA A 11 VAL HGx% 1.0 . 4.78 1934 1802 A 11 VAL H A 10 SER HBy 1.0 . 4.27 1935 1802 A 11 VAL H A 10 SER HBx 1.0 . 4.27 1936 1803 A 10 SER HBx A 11 VAL HGy% 1.0 . 4.76 1937 1803 A 10 SER HBy A 11 VAL HGy% 1.0 . 4.76 1938 1803 A 11 VAL HGx% A 10 SER HBy 1.0 . 4.76 1939 1803 A 10 SER HBx A 11 VAL HGx% 1.0 . 4.76 1940 1804 A 11 VAL H A 11 VAL HGy% 1.0 . 3.04 1941 1804 A 11 VAL H A 11 VAL HGx% 1.0 . 3.04 1942 1805 A 11 VAL HA A 11 VAL HGy% 1.0 . 2.94 1943 1805 A 11 VAL HA A 11 VAL HGx% 1.0 . 2.94 1944 1806 A 12 LYS H A 11 VAL HGy% 1.0 . 3.88 1945 1806 A 12 LYS H A 11 VAL HGx% 1.0 . 3.88 1946 1807 A 12 LYS H A 13 PRO HDx 1.0 . 3.71 1947 1807 A 12 LYS H A 13 PRO HDy 1.0 . 3.71 1948 1808 A 14 THR H A 13 PRO HDx 1.0 . 4.11 1949 1808 A 14 THR H A 13 PRO HDy 1.0 . 4.11 1950 1809 A 15 GLN H A 15 GLN HGy 1.0 . 4.30 1951 1809 A 15 GLN H A 15 GLN HGx 1.0 . 4.30 1952 1810 A 15 GLN HA A 15 GLN HGy 1.0 . 3.14 1953 1810 A 15 GLN HA A 15 GLN HGx 1.0 . 3.14 1954 1811 A 15 GLN HBx A 15 GLN HE2x 1.0 . 4.42 1955 1811 A 15 GLN HBx A 15 GLN HE2y 1.0 . 4.42 1956 1812 A 15 GLN HE2y A 15 GLN HGy 1.0 . 3.20 1957 1812 A 15 GLN HE2x A 15 GLN HGy 1.0 . 3.20 1958 1812 A 15 GLN HGx A 15 GLN HE2x 1.0 . 3.20 1959 1812 A 15 GLN HGx A 15 GLN HE2y 1.0 . 3.20 1960 1813 A 16 GLN H A 16 GLN HBx 1.0 . 2.90 1961 1813 A 16 GLN H A 16 GLN HBy 1.0 . 2.90 1962 1814 A 16 GLN HA A 16 GLN HGx 1.0 . 3.12 1963 1814 A 16 GLN HA A 16 GLN HGy 1.0 . 3.12 1964 1815 A 16 GLN HBx A 16 GLN HGx 1.0 . 2.35 1965 1815 A 16 GLN HGy A 16 GLN HBx 1.0 . 2.35 1966 1815 A 16 GLN HBy A 16 GLN HGy 1.0 . 2.35 1967 1815 A 16 GLN HBy A 16 GLN HGx 1.0 . 2.35 1968 1816 A 17 ALA H A 16 GLN HBx 1.0 . 3.72 1969 1816 A 17 ALA H A 16 GLN HBy 1.0 . 3.72 1970 1817 A 17 ALA H A 16 GLN HGx 1.0 . 3.40 1971 1817 A 17 ALA H A 16 GLN HGy 1.0 . 3.40 1972 1818 A 17 ALA HB% A 16 GLN HGx 1.0 . 4.97 1973 1818 A 17 ALA HB% A 16 GLN HGy 1.0 . 4.97 1974 1819 A 17 ALA HA A 18 ARG HGx 1.0 . 5.14 1975 1819 A 17 ALA HA A 18 ARG HGy 1.0 . 5.14 1976 1820 A 18 ARG H A 18 ARG HBy 1.0 . 3.25 1977 1820 A 18 ARG H A 18 ARG HBx 1.0 . 3.25 1978 1821 A 18 ARG H A 18 ARG HGx 1.0 . 4.28 1979 1821 A 18 ARG H A 18 ARG HGy 1.0 . 4.28 1980 1822 A 18 ARG H A 18 ARG HDx 1.0 . 5.11 1981 1822 A 18 ARG H A 18 ARG HDy 1.0 . 5.11 1982 1823 A 18 ARG HA A 18 ARG HGx 1.0 . 3.57 1983 1823 A 18 ARG HA A 18 ARG HGy 1.0 . 3.57 1984 1824 A 18 ARG HA A 18 ARG HDx 1.0 . 4.22 1985 1824 A 18 ARG HA A 18 ARG HDy 1.0 . 4.22 1986 1825 A 18 ARG HA A 19 PRO HBy 1.0 . 5.15 1987 1825 A 18 ARG HA A 19 PRO HBx 1.0 . 5.15 1988 1826 A 18 ARG HBx A 18 ARG HDx 1.0 . 3.11 1989 1826 A 18 ARG HBy A 18 ARG HDx 1.0 . 3.11 1990 1826 A 18 ARG HDy A 18 ARG HBy 1.0 . 3.11 1991 1826 A 18 ARG HBx A 18 ARG HDy 1.0 . 3.11 1992 1827 A 19 PRO HDx A 18 ARG HBy 1.0 . 3.94 1993 1827 A 19 PRO HDx A 18 ARG HBx 1.0 . 3.94 1994 1828 A 19 PRO HDy A 18 ARG HBy 1.0 . 4.27 1995 1828 A 19 PRO HDy A 18 ARG HBx 1.0 . 4.27 1996 1829 A 96 VAL HGx% A 18 ARG HBy 1.0 . 3.53 1997 1829 A 96 VAL HGx% A 18 ARG HBx 1.0 . 3.53 1998 1830 A 19 PRO HDx A 18 ARG HGx 1.0 . 4.52 1999 1830 A 19 PRO HDx A 18 ARG HGy 1.0 . 4.52 2000 1831 A 19 PRO HDy A 18 ARG HGx 1.0 . 4.89 2001 1831 A 19 PRO HDy A 18 ARG HGy 1.0 . 4.89 2002 1832 A 96 VAL HGx% A 18 ARG HGx 1.0 . 4.89 2003 1832 A 96 VAL HGx% A 18 ARG HGy 1.0 . 4.89 2004 1833 A 19 PRO HDx A 18 ARG HDx 1.0 . 4.37 2005 1833 A 19 PRO HDx A 18 ARG HDy 1.0 . 4.37 2006 1834 A 19 PRO HDy A 18 ARG HDx 1.0 . 4.95 2007 1834 A 19 PRO HDy A 18 ARG HDy 1.0 . 4.95 2008 1835 A 96 VAL HGx% A 18 ARG HDx 1.0 . 3.73 2009 1835 A 96 VAL HGx% A 18 ARG HDy 1.0 . 3.73 2010 1836 A 96 VAL HGy% A 18 ARG HDx 1.0 . 5.34 2011 1836 A 96 VAL HGy% A 18 ARG HDy 1.0 . 5.34 2012 1837 A 97 LYS H A 18 ARG HDx 1.0 . 5.34 2013 1837 A 97 LYS H A 18 ARG HDy 1.0 . 5.34 2014 1838 A 20 THR H A 19 PRO HBy 1.0 . 3.35 2015 1838 A 20 THR H A 19 PRO HBx 1.0 . 3.35 2016 1839 A 56 ILE HG2% A 19 PRO HBy 1.0 . 3.14 2017 1839 A 56 ILE HG2% A 19 PRO HBx 1.0 . 3.14 2018 1840 A 57 LEU H A 19 PRO HBy 1.0 . 3.88 2019 1840 A 57 LEU H A 19 PRO HBx 1.0 . 3.88 2020 1841 A 58 ASP HA A 19 PRO HBy 1.0 . 5.34 2021 1841 A 58 ASP HA A 19 PRO HBx 1.0 . 5.34 2022 1842 A 21 VAL H A 94 ILE HG1x 1.0 . 4.98 2023 1842 A 21 VAL H A 94 ILE HG1y 1.0 . 4.98 2024 1843 A 22 ILE H A 23 ARG HBx 1.0 . 5.01 2025 1843 A 22 ILE H A 23 ARG HBy 1.0 . 5.01 2026 1844 A 22 ILE HG2% A 22 ILE HG1x 1.0 . 3.40 2027 1844 A 22 ILE HG2% A 22 ILE HG1y 1.0 . 3.40 2028 1845 A 22 ILE HG2% A 31 VAL HGy% 1.0 . 4.34 2029 1845 A 22 ILE HG2% A 31 VAL HGx% 1.0 . 4.34 2030 1846 A 22 ILE HG2% A 54 VAL HGx% 1.0 . 3.77 2031 1846 A 22 ILE HG2% A 54 VAL HG21 1.0 . 3.77 2032 1847 A 33 ILE HD11 A 22 ILE HG1x 1.0 . 4.40 2033 1847 A 33 ILE HD11 A 22 ILE HG1y 1.0 . 4.40 2034 1848 A 33 ILE HD11 A 22 ILE HG1y 1.0 . 3.14 2035 1848 A 33 ILE HD11 A 22 ILE HG1x 1.0 . 3.14 2036 1849 A 66 TYR HD% A 22 ILE HG1x 1.0 . 4.06 2037 1849 A 66 TYR HD% A 22 ILE HG1y 1.0 . 4.06 2038 1850 A 66 TYR HE% A 22 ILE HG1x 1.0 . 3.91 2039 1850 A 66 TYR HE% A 22 ILE HG1y 1.0 . 3.91 2040 1851 A 22 ILE HD1% A 94 ILE HG1x 1.0 . 5.32 2041 1851 A 22 ILE HD1% A 94 ILE HG1y 1.0 . 5.32 2042 1852 A 23 ARG H A 23 ARG HGx 1.0 . 3.99 2043 1852 A 23 ARG H A 23 ARG HGy 1.0 . 3.99 2044 1853 A 23 ARG H A 54 VAL HGx% 1.0 . 4.76 2045 1853 A 23 ARG H A 54 VAL HG21 1.0 . 4.76 2046 1854 A 23 ARG HA A 54 VAL HGx% 1.0 . 3.70 2047 1854 A 23 ARG HA A 54 VAL HG21 1.0 . 3.70 2048 1855 A 23 ARG HBx A 23 ARG HDx 1.0 . 3.32 2049 1855 A 23 ARG HBy A 23 ARG HDx 1.0 . 3.32 2050 1855 A 23 ARG HDy A 23 ARG HBx 1.0 . 3.32 2051 1855 A 23 ARG HBy A 23 ARG HDy 1.0 . 3.32 2052 1856 A 24 TRP H A 23 ARG HBx 1.0 . 3.63 2053 1856 A 24 TRP H A 23 ARG HBy 1.0 . 3.63 2054 1857 A 54 VAL HA A 23 ARG HBx 1.0 . 4.56 2055 1857 A 54 VAL HA A 23 ARG HBy 1.0 . 4.56 2056 1858 A 23 ARG HBx A 54 VAL HGx% 1.0 . 3.41 2057 1858 A 23 ARG HBy A 54 VAL HGx% 1.0 . 3.41 2058 1858 A 54 VAL HG21 A 23 ARG HBx 1.0 . 3.41 2059 1858 A 23 ARG HBy A 54 VAL HG21 1.0 . 3.41 2060 1859 A 23 ARG HDy A 54 VAL HGx% 1.0 . 4.83 2061 1859 A 23 ARG HDx A 54 VAL HGx% 1.0 . 4.83 2062 1859 A 54 VAL HG21 A 23 ARG HDx 1.0 . 4.83 2063 1859 A 54 VAL HG21 A 23 ARG HDy 1.0 . 4.83 2064 1860 A 24 TRP H A 31 VAL HGy% 1.0 . 4.92 2065 1860 A 24 TRP H A 31 VAL HGx% 1.0 . 4.92 2066 1861 A 24 TRP H A 54 VAL HGx% 1.0 . 3.96 2067 1861 A 24 TRP H A 54 VAL HG21 1.0 . 3.96 2068 1862 A 24 TRP HBx A 31 VAL HGy% 1.0 . 4.97 2069 1862 A 24 TRP HBx A 31 VAL HGx% 1.0 . 4.97 2070 1863 A 24 TRP HBy A 31 VAL HGy% 1.0 . 4.15 2071 1863 A 24 TRP HBy A 31 VAL HGx% 1.0 . 4.15 2072 1864 A 24 TRP HD1 A 31 VAL HGy% 1.0 . 3.08 2073 1864 A 24 TRP HD1 A 31 VAL HGx% 1.0 . 3.08 2074 1865 A 24 TRP HE1 A 26 GLU HBx 1.0 . 3.41 2075 1865 A 24 TRP HE1 A 26 GLU HBy 1.0 . 3.41 2076 1866 A 24 TRP HE1 A 31 VAL HGy% 1.0 . 3.54 2077 1866 A 24 TRP HE1 A 31 VAL HGx% 1.0 . 3.54 2078 1867 A 24 TRP HZ3 A 77 ASP HBx 1.0 . 4.07 2079 1867 A 24 TRP HZ3 A 77 ASP HBy 1.0 . 4.07 2080 1868 A 24 TRP HZ2 A 26 GLU HBx 1.0 . 3.12 2081 1868 A 24 TRP HZ2 A 26 GLU HBy 1.0 . 3.12 2082 1869 A 24 TRP HZ2 A 26 GLU HGx 1.0 . 3.82 2083 1869 A 24 TRP HZ2 A 26 GLU HGy 1.0 . 3.82 2084 1870 A 24 TRP HH2 A 26 GLU HBx 1.0 . 4.55 2085 1870 A 24 TRP HH2 A 26 GLU HBy 1.0 . 4.55 2086 1871 A 24 TRP HH2 A 26 GLU HGx 1.0 . 4.73 2087 1871 A 24 TRP HH2 A 26 GLU HGy 1.0 . 4.73 2088 1872 A 25 SER H A 25 SER HBy 1.0 . 3.29 2089 1872 A 25 SER H A 25 SER HBx 1.0 . 3.29 2090 1873 A 52 ASP HA A 25 SER HBy 1.0 . 4.58 2091 1873 A 52 ASP HA A 25 SER HBx 1.0 . 4.58 2092 1874 A 25 SER HBx A 52 ASP HBx 1.0 . 4.75 2093 1874 A 25 SER HBy A 52 ASP HBx 1.0 . 4.75 2094 1874 A 52 ASP HBy A 25 SER HBy 1.0 . 4.75 2095 1874 A 25 SER HBx A 52 ASP HBy 1.0 . 4.75 2096 1875 A 26 GLU HA A 26 GLU HGx 1.0 . 3.37 2097 1875 A 26 GLU HA A 26 GLU HGy 1.0 . 3.37 2098 1876 A 27 GLY H A 26 GLU HGx 1.0 . 3.74 2099 1876 A 27 GLY H A 26 GLU HGy 1.0 . 3.74 2100 1877 A 28 GLY H A 26 GLU HGx 1.0 . 4.48 2101 1877 A 28 GLY H A 26 GLU HGy 1.0 . 4.48 2102 1878 A 27 GLY H A 31 VAL HGy% 1.0 . 4.57 2103 1878 A 27 GLY H A 31 VAL HGx% 1.0 . 4.57 2104 1879 A 28 GLY H A 31 VAL HGy% 1.0 . 4.20 2105 1879 A 28 GLY H A 31 VAL HGx% 1.0 . 4.20 2106 1880 A 28 GLY HAy A 31 VAL HGy% 1.0 . 5.16 2107 1880 A 28 GLY HAy A 31 VAL HGx% 1.0 . 5.16 2108 1881 A 28 GLY HAx A 31 VAL HGy% 1.0 . 4.42 2109 1881 A 28 GLY HAx A 31 VAL HGx% 1.0 . 4.42 2110 1882 A 29 LYS H A 29 LYS HGx 1.0 . 3.43 2111 1882 A 29 LYS H A 29 LYS HGy 1.0 . 3.43 2112 1883 A 29 LYS H A 29 LYS HDx 1.0 . 4.82 2113 1883 A 29 LYS H A 29 LYS HDy 1.0 . 4.82 2114 1884 A 29 LYS H A 31 VAL HGy% 1.0 . 4.54 2115 1884 A 29 LYS H A 31 VAL HGx% 1.0 . 4.54 2116 1885 A 29 LYS HA A 29 LYS HGx 1.0 . 3.45 2117 1885 A 29 LYS HA A 29 LYS HGy 1.0 . 3.45 2118 1886 A 29 LYS HA A 29 LYS HDx 1.0 . 4.59 2119 1886 A 29 LYS HA A 29 LYS HDy 1.0 . 4.59 2120 1887 A 29 LYS HA A 29 LYS HEx 1.0 . 4.57 2121 1887 A 29 LYS HA A 29 LYS HEy 1.0 . 4.57 2122 1888 A 29 LYS HBx A 29 LYS HDx 1.0 . 3.02 2123 1888 A 29 LYS HBy A 29 LYS HDx 1.0 . 3.02 2124 1888 A 29 LYS HDy A 29 LYS HBx 1.0 . 3.02 2125 1888 A 29 LYS HBy A 29 LYS HDy 1.0 . 3.02 2126 1889 A 29 LYS HBx A 29 LYS HEx 1.0 . 4.42 2127 1889 A 29 LYS HBy A 29 LYS HEx 1.0 . 4.42 2128 1889 A 29 LYS HEy A 29 LYS HBx 1.0 . 4.42 2129 1889 A 29 LYS HBy A 29 LYS HEy 1.0 . 4.42 2130 1890 A 29 LYS HEy A 29 LYS HGx 1.0 . 3.27 2131 1890 A 29 LYS HEx A 29 LYS HGx 1.0 . 3.27 2132 1890 A 29 LYS HGy A 29 LYS HEx 1.0 . 3.27 2133 1890 A 29 LYS HGy A 29 LYS HEy 1.0 . 3.27 2134 1891 A 30 GLU H A 29 LYS HGx 1.0 . 4.13 2135 1891 A 30 GLU H A 29 LYS HGy 1.0 . 4.13 2136 1892 A 30 GLU HGx A 29 LYS HGx 1.0 . 5.34 2137 1892 A 30 GLU HGx A 29 LYS HGy 1.0 . 5.34 2138 1893 A 30 GLU H A 31 VAL HGy% 1.0 . 4.02 2139 1893 A 30 GLU H A 31 VAL HGx% 1.0 . 4.02 2140 1894 A 30 GLU HA A 31 VAL HGy% 1.0 . 4.36 2141 1894 A 30 GLU HA A 31 VAL HGx% 1.0 . 4.36 2142 1895 A 31 VAL H A 30 GLU HBy 1.0 . 3.95 2143 1895 A 31 VAL H A 30 GLU HBx 1.0 . 3.95 2144 1896 A 32 PHE HE% A 30 GLU HBy 1.0 . 3.24 2145 1896 A 32 PHE HE% A 30 GLU HBx 1.0 . 3.24 2146 1897 A 31 VAL H A 31 VAL HGy% 1.0 . 3.47 2147 1897 A 31 VAL H A 31 VAL HGx% 1.0 . 3.47 2148 1898 A 32 PHE H A 31 VAL HGy% 1.0 . 3.36 2149 1898 A 32 PHE H A 31 VAL HGx% 1.0 . 3.36 2150 1899 A 32 PHE HA A 31 VAL HGy% 1.0 . 5.10 2151 1899 A 32 PHE HA A 31 VAL HGx% 1.0 . 5.10 2152 1900 A 33 ILE HB A 31 VAL HGy% 1.0 . 4.88 2153 1900 A 33 ILE HB A 31 VAL HGx% 1.0 . 4.88 2154 1901 A 45 PRO HA A 31 VAL HGy% 1.0 . 5.44 2155 1901 A 45 PRO HA A 31 VAL HGx% 1.0 . 5.44 2156 1902 A 46 LEU H A 31 VAL HGy% 1.0 . 4.31 2157 1902 A 46 LEU H A 31 VAL HGx% 1.0 . 4.31 2158 1903 A 46 LEU HBy A 31 VAL HGy% 1.0 . 4.51 2159 1903 A 46 LEU HBy A 31 VAL HGx% 1.0 . 4.51 2160 1904 A 46 LEU HBx A 31 VAL HGy% 1.0 . 3.71 2161 1904 A 46 LEU HBx A 31 VAL HGx% 1.0 . 3.71 2162 1905 A 46 LEU HG A 31 VAL HGy% 1.0 . 5.05 2163 1905 A 46 LEU HG A 31 VAL HGx% 1.0 . 5.05 2164 1906 A 46 LEU HD1% A 31 VAL HGy% 1.0 . 3.30 2165 1906 A 46 LEU HD1% A 31 VAL HGx% 1.0 . 3.30 2166 1907 A 46 LEU HD2% A 31 VAL HGy% 1.0 . 3.23 2167 1907 A 46 LEU HD2% A 31 VAL HGx% 1.0 . 3.23 2168 1908 A 53 PHE H A 31 VAL HGy% 1.0 . 5.28 2169 1908 A 53 PHE H A 31 VAL HGx% 1.0 . 5.28 2170 1909 A 53 PHE HBx A 31 VAL HGy% 1.0 . 3.76 2171 1909 A 53 PHE HBx A 31 VAL HGx% 1.0 . 3.76 2172 1910 A 53 PHE HBy A 31 VAL HGy% 1.0 . 3.91 2173 1910 A 53 PHE HBy A 31 VAL HGx% 1.0 . 3.91 2174 1911 A 53 PHE HD% A 31 VAL HGy% 1.0 . 3.18 2175 1911 A 53 PHE HD% A 31 VAL HGx% 1.0 . 3.18 2176 1912 A 53 PHE HE% A 31 VAL HGy% 1.0 . 3.58 2177 1912 A 53 PHE HE% A 31 VAL HGx% 1.0 . 3.58 2178 1913 A 54 VAL H A 31 VAL HGy% 1.0 . 5.43 2179 1913 A 54 VAL H A 31 VAL HGx% 1.0 . 5.43 2180 1914 A 68 PHE HD% A 31 VAL HGy% 1.0 . 3.64 2181 1914 A 68 PHE HD% A 31 VAL HGx% 1.0 . 3.64 2182 1915 A 68 PHE HE% A 31 VAL HGy% 1.0 . 4.29 2183 1915 A 68 PHE HE% A 31 VAL HGx% 1.0 . 4.29 2184 1916 A 69 PHE H A 31 VAL HGy% 1.0 . 4.34 2185 1916 A 69 PHE H A 31 VAL HGx% 1.0 . 4.34 2186 1917 A 70 VAL H A 31 VAL HGy% 1.0 . 5.17 2187 1917 A 70 VAL H A 31 VAL HGx% 1.0 . 5.17 2188 1918 A 70 VAL HA A 31 VAL HGy% 1.0 . 3.75 2189 1918 A 70 VAL HA A 31 VAL HGx% 1.0 . 3.75 2190 1919 A 70 VAL HB A 31 VAL HGy% 1.0 . 4.50 2191 1919 A 70 VAL HB A 31 VAL HGx% 1.0 . 4.50 2192 1920 A 70 VAL HGx% A 31 VAL HGy% 1.0 . 3.21 2193 1920 A 70 VAL HGx% A 31 VAL HGx% 1.0 . 3.21 2194 1921 A 71 ASP H A 31 VAL HGy% 1.0 . 4.22 2195 1921 A 71 ASP H A 31 VAL HGx% 1.0 . 4.22 2196 1922 A 32 PHE HA A 45 PRO HBx 1.0 . 5.34 2197 1922 A 32 PHE HA A 45 PRO HBy 1.0 . 5.34 2198 1923 A 32 PHE HBy A 43 LYS HGx 1.0 . 5.34 2199 1923 A 32 PHE HBy A 43 LYS HGy 1.0 . 5.34 2200 1924 A 32 PHE HBx A 43 LYS HGx 1.0 . 5.31 2201 1924 A 32 PHE HBx A 43 LYS HGy 1.0 . 5.31 2202 1925 A 32 PHE HE% A 45 PRO HBx 1.0 . 3.84 2203 1925 A 32 PHE HE% A 45 PRO HBy 1.0 . 3.84 2204 1926 A 32 PHE HE% A 45 PRO HGx 1.0 . 4.50 2205 1926 A 32 PHE HE% A 45 PRO HGy 1.0 . 4.50 2206 1927 A 33 ILE HG21 A 33 ILE HG1x 1.0 . 3.59 2207 1927 A 33 ILE HG21 A 33 ILE HG1y 1.0 . 3.59 2208 1928 A 37 PHE HZ A 33 ILE HG1x 1.0 . 4.62 2209 1928 A 37 PHE HZ A 33 ILE HG1y 1.0 . 4.62 2210 1929 A 55 ALA HB% A 33 ILE HG1x 1.0 . 4.76 2211 1929 A 55 ALA HB% A 33 ILE HG1y 1.0 . 4.76 2212 1930 A 66 TYR HD% A 33 ILE HG1x 1.0 . 4.02 2213 1930 A 66 TYR HD% A 33 ILE HG1y 1.0 . 4.02 2214 1931 A 66 TYR HE% A 33 ILE HG1x 1.0 . 4.49 2215 1931 A 66 TYR HE% A 33 ILE HG1y 1.0 . 4.49 2216 1932 A 68 PHE HA A 33 ILE HG1x 1.0 . 4.84 2217 1932 A 68 PHE HA A 33 ILE HG1y 1.0 . 4.84 2218 1933 A 68 PHE HE% A 33 ILE HG1x 1.0 . 4.60 2219 1933 A 68 PHE HE% A 33 ILE HG1y 1.0 . 4.60 2220 1934 A 35 GLY H A 34 SER HBy 1.0 . 4.14 2221 1934 A 35 GLY H A 34 SER HBx 1.0 . 4.14 2222 1935 A 38 ASN HD2y A 34 SER HBy 1.0 . 4.34 2223 1935 A 38 ASN HD2y A 34 SER HBx 1.0 . 4.34 2224 1936 A 40 TRP HA A 34 SER HBy 1.0 . 4.05 2225 1936 A 40 TRP HA A 34 SER HBx 1.0 . 4.05 2226 1937 A 40 TRP HZ3 A 34 SER HBy 1.0 . 4.39 2227 1937 A 40 TRP HZ3 A 34 SER HBx 1.0 . 4.39 2228 1938 A 43 LYS HA A 34 SER HBy 1.0 . 4.02 2229 1938 A 43 LYS HA A 34 SER HBx 1.0 . 4.02 2230 1939 A 34 SER HBy A 43 LYS HGx 1.0 . 4.03 2231 1939 A 34 SER HBx A 43 LYS HGx 1.0 . 4.03 2232 1939 A 43 LYS HGy A 34 SER HBy 1.0 . 4.03 2233 1939 A 43 LYS HGy A 34 SER HBx 1.0 . 4.03 2234 1940 A 34 SER HBy A 43 LYS HDx 1.0 . 4.84 2235 1940 A 34 SER HBx A 43 LYS HDx 1.0 . 4.84 2236 1940 A 43 LYS HDy A 34 SER HBy 1.0 . 4.84 2237 1940 A 43 LYS HDy A 34 SER HBx 1.0 . 4.84 2238 1941 A 44 ILE H A 34 SER HBy 1.0 . 4.50 2239 1941 A 44 ILE H A 34 SER HBx 1.0 . 4.50 2240 1942 A 74 TRP HZ3 A 34 SER HBy 1.0 . 3.90 2241 1942 A 74 TRP HZ3 A 34 SER HBx 1.0 . 3.90 2242 1943 A 74 TRP HZ2 A 34 SER HBy 1.0 . 4.10 2243 1943 A 74 TRP HZ2 A 34 SER HBx 1.0 . 4.10 2244 1944 A 36 SER H A 36 SER HBx 1.0 . 3.40 2245 1944 A 36 SER H A 36 SER HBy 1.0 . 3.40 2246 1945 A 37 PHE H A 36 SER HBx 1.0 . 3.87 2247 1945 A 37 PHE H A 36 SER HBy 1.0 . 3.87 2248 1946 A 39 ASN H A 36 SER HBx 1.0 . 4.57 2249 1946 A 39 ASN H A 36 SER HBy 1.0 . 4.57 2250 1947 A 65 GLN HBy A 36 SER HBx 1.0 . 5.34 2251 1947 A 65 GLN HBy A 36 SER HBy 1.0 . 5.34 2252 1948 A 65 GLN HBx A 36 SER HBx 1.0 . 5.34 2253 1948 A 65 GLN HBx A 36 SER HBy 1.0 . 5.34 2254 1949 A 37 PHE H A 37 PHE HBx 1.0 . 3.23 2255 1949 A 37 PHE H A 37 PHE HBy 1.0 . 3.23 2256 1950 A 38 ASN H A 37 PHE HBx 1.0 . 4.17 2257 1950 A 38 ASN H A 37 PHE HBy 1.0 . 4.17 2258 1951 A 59 LEU HD2% A 37 PHE HBx 1.0 . 3.62 2259 1951 A 59 LEU HD2% A 37 PHE HBy 1.0 . 3.62 2260 1952 A 39 ASN HA A 39 ASN HD2x 1.0 . 4.48 2261 1952 A 39 ASN HA A 39 ASN HD2y 1.0 . 4.48 2262 1953 A 39 ASN HBx A 39 ASN HD2x 1.0 . 3.26 2263 1953 A 39 ASN HBx A 39 ASN HD2y 1.0 . 3.26 2264 1954 A 43 LYS HBy A 43 LYS HEx 1.0 . 4.14 2265 1954 A 43 LYS HBy A 43 LYS HEy 1.0 . 4.14 2266 1955 A 74 TRP HZ2 A 43 LYS HGx 1.0 . 4.21 2267 1955 A 74 TRP HZ2 A 43 LYS HGy 1.0 . 4.21 2268 1956 A 74 TRP HH2 A 43 LYS HGx 1.0 . 3.59 2269 1956 A 74 TRP HH2 A 43 LYS HGy 1.0 . 3.59 2270 1957 A 69 PHE HD% A 43 LYS HEx 1.0 . 3.82 2271 1957 A 69 PHE HD% A 43 LYS HEy 1.0 . 3.82 2272 1958 A 69 PHE HE% A 43 LYS HEx 1.0 . 4.05 2273 1958 A 69 PHE HE% A 43 LYS HEy 1.0 . 4.05 2274 1959 A 74 TRP HD1 A 43 LYS HEx 1.0 . 5.34 2275 1959 A 74 TRP HD1 A 43 LYS HEy 1.0 . 5.34 2276 1960 A 74 TRP HE1 A 43 LYS HEx 1.0 . 4.11 2277 1960 A 74 TRP HE1 A 43 LYS HEy 1.0 . 4.11 2278 1961 A 74 TRP HZ2 A 43 LYS HEx 1.0 . 3.23 2279 1961 A 74 TRP HZ2 A 43 LYS HEy 1.0 . 3.23 2280 1962 A 74 TRP HH2 A 43 LYS HEx 1.0 . 3.73 2281 1962 A 74 TRP HH2 A 43 LYS HEy 1.0 . 3.73 2282 1963 A 44 ILE HA A 45 PRO HGx 1.0 . 3.93 2283 1963 A 44 ILE HA A 45 PRO HGy 1.0 . 3.93 2284 1964 A 44 ILE HG1y A 45 PRO HGx 1.0 . 4.76 2285 1964 A 44 ILE HG1y A 45 PRO HGy 1.0 . 4.76 2286 1965 A 44 ILE HG1y A 45 PRO HDx 1.0 . 3.48 2287 1965 A 44 ILE HG1y A 45 PRO HDy 1.0 . 3.48 2288 1966 A 44 ILE HD1% A 45 PRO HDx 1.0 . 3.90 2289 1966 A 44 ILE HD1% A 45 PRO HDy 1.0 . 3.90 2290 1967 A 48 LYS HGx A 48 LYS HEx 1.0 . 3.61 2291 1967 A 48 LYS HGx A 48 LYS HEy 1.0 . 3.61 2292 1968 A 53 PHE HD% A 48 LYS HEx 1.0 . 4.56 2293 1968 A 53 PHE HD% A 48 LYS HEy 1.0 . 4.56 2294 1969 A 53 PHE HE% A 48 LYS HEx 1.0 . 4.51 2295 1969 A 53 PHE HE% A 48 LYS HEy 1.0 . 4.51 2296 1970 A 49 SER HBy A 54 VAL HGx% 1.0 . 3.36 2297 1970 A 49 SER HBx A 54 VAL HGx% 1.0 . 3.36 2298 1970 A 54 VAL HG21 A 49 SER HBx 1.0 . 3.36 2299 1970 A 49 SER HBy A 54 VAL HG21 1.0 . 3.36 2300 1971 A 51 ASN HD2x A 51 ASN HBx 1.0 . 2.92 2301 1971 A 51 ASN HD2x A 51 ASN HBy 1.0 . 2.92 2302 1972 A 51 ASN HD2y A 51 ASN HBx 1.0 . 3.34 2303 1972 A 51 ASN HD2y A 51 ASN HBy 1.0 . 3.34 2304 1973 A 52 ASP H A 51 ASN HBx 1.0 . 3.27 2305 1973 A 52 ASP H A 51 ASN HBy 1.0 . 3.27 2306 1974 A 52 ASP H A 52 ASP HBx 1.0 . 3.46 2307 1974 A 52 ASP H A 52 ASP HBy 1.0 . 3.46 2308 1975 A 52 ASP H A 54 VAL HGx% 1.0 . 4.32 2309 1975 A 52 ASP H A 54 VAL HG21 1.0 . 4.32 2310 1976 A 52 ASP HA A 54 VAL HGx% 1.0 . 5.27 2311 1976 A 52 ASP HA A 54 VAL HG21 1.0 . 5.27 2312 1977 A 53 PHE H A 52 ASP HBx 1.0 . 3.07 2313 1977 A 53 PHE H A 52 ASP HBy 1.0 . 3.07 2314 1978 A 52 ASP HBx A 54 VAL HGx% 1.0 . 4.43 2315 1978 A 52 ASP HBy A 54 VAL HGx% 1.0 . 4.43 2316 1978 A 54 VAL HG21 A 52 ASP HBx 1.0 . 4.43 2317 1978 A 54 VAL HG21 A 52 ASP HBy 1.0 . 4.43 2318 1979 A 53 PHE H A 54 VAL HGx% 1.0 . 5.01 2319 1979 A 53 PHE H A 54 VAL HG21 1.0 . 5.01 2320 1980 A 53 PHE HA A 54 VAL HGx% 1.0 . 4.69 2321 1980 A 53 PHE HA A 54 VAL HG21 1.0 . 4.69 2322 1981 A 54 VAL H A 54 VAL HGx% 1.0 . 3.30 2323 1981 A 54 VAL H A 54 VAL HG21 1.0 . 3.30 2324 1982 A 54 VAL HA A 54 VAL HGx% 1.0 . 3.10 2325 1982 A 54 VAL HA A 54 VAL HG21 1.0 . 3.10 2326 1983 A 59 LEU HD2% A 60 PRO HGy 1.0 . 4.41 2327 1983 A 59 LEU HD2% A 60 PRO HGx 1.0 . 4.41 2328 1984 A 64 HIS HE1 A 60 PRO HGy 1.0 . 3.25 2329 1984 A 64 HIS HE1 A 60 PRO HGx 1.0 . 3.25 2330 1985 A 61 GLU HBy A 98 LYS HBy 1.0 . 3.85 2331 1985 A 61 GLU HBx A 98 LYS HBy 1.0 . 3.85 2332 1985 A 98 LYS HBx A 61 GLU HBx 1.0 . 3.85 2333 1985 A 61 GLU HBy A 98 LYS HBx 1.0 . 3.85 2334 1986 A 62 GLY H A 61 GLU HGy 1.0 . 3.75 2335 1986 A 62 GLY H A 61 GLU HGx 1.0 . 3.75 2336 1987 A 62 GLY HAy A 61 GLU HGy 1.0 . 4.78 2337 1987 A 62 GLY HAy A 61 GLU HGx 1.0 . 4.78 2338 1988 A 96 VAL HGx% A 61 GLU HGy 1.0 . 4.08 2339 1988 A 96 VAL HGx% A 61 GLU HGx 1.0 . 4.08 2340 1989 A 97 LYS H A 61 GLU HGy 1.0 . 4.74 2341 1989 A 97 LYS H A 61 GLU HGx 1.0 . 4.74 2342 1990 A 97 LYS HA A 61 GLU HGy 1.0 . 3.55 2343 1990 A 97 LYS HA A 61 GLU HGx 1.0 . 3.55 2344 1991 A 97 LYS HBy A 61 GLU HGy 1.0 . 4.86 2345 1991 A 97 LYS HBy A 61 GLU HGx 1.0 . 4.86 2346 1992 A 97 LYS HBx A 61 GLU HGy 1.0 . 4.54 2347 1992 A 97 LYS HBx A 61 GLU HGx 1.0 . 4.54 2348 1993 A 98 LYS HA A 61 GLU HGy 1.0 . 4.23 2349 1993 A 98 LYS HA A 61 GLU HGx 1.0 . 4.23 2350 1994 A 61 GLU HGy A 98 LYS HBy 1.0 . 3.82 2351 1994 A 61 GLU HGx A 98 LYS HBy 1.0 . 3.82 2352 1994 A 98 LYS HBx A 61 GLU HGy 1.0 . 3.82 2353 1994 A 98 LYS HBx A 61 GLU HGx 1.0 . 3.82 2354 1995 A 61 GLU HGx A 98 LYS HGx 1.0 . 4.43 2355 1995 A 61 GLU HGy A 98 LYS HGx 1.0 . 4.43 2356 1995 A 98 LYS HGy A 61 GLU HGy 1.0 . 4.43 2357 1995 A 98 LYS HGy A 61 GLU HGx 1.0 . 4.43 2358 1996 A 61 GLU HGx A 98 LYS HDx 1.0 . 5.34 2359 1996 A 98 LYS HDy A 61 GLU HGy 1.0 . 5.34 2360 1996 A 98 LYS HDy A 61 GLU HGx 1.0 . 5.34 2361 1996 A 61 GLU HGy A 98 LYS HDx 1.0 . 5.34 2362 1997 A 63 GLU HA A 93 LEU HD2% 1.0 . 4.27 2363 1997 A 63 GLU HA A 93 LEU HD1% 1.0 . 4.27 2364 1998 A 63 GLU HA A 95 HIS HBx 1.0 . 3.92 2365 1998 A 63 GLU HA A 95 HIS HBy 1.0 . 3.92 2366 1999 A 63 GLU HBy A 93 LEU HD2% 1.0 . 3.97 2367 1999 A 63 GLU HBx A 93 LEU HD2% 1.0 . 3.97 2368 1999 A 93 LEU HD1% A 63 GLU HBx 1.0 . 3.97 2369 1999 A 63 GLU HBy A 93 LEU HD1% 1.0 . 3.97 2370 2000 A 63 GLU HBy A 95 HIS HBx 1.0 . 4.63 2371 2000 A 95 HIS HBy A 63 GLU HBx 1.0 . 4.63 2372 2000 A 63 GLU HBy A 95 HIS HBy 1.0 . 4.63 2373 2000 A 63 GLU HBx A 95 HIS HBx 1.0 . 4.63 2374 2001 A 64 HIS H A 63 GLU HGx 1.0 . 4.25 2375 2001 A 64 HIS H A 63 GLU HGy 1.0 . 4.25 2376 2002 A 93 LEU HG A 63 GLU HGx 1.0 . 4.59 2377 2002 A 93 LEU HG A 63 GLU HGy 1.0 . 4.59 2378 2003 A 63 GLU HGy A 93 LEU HD2% 1.0 . 2.77 2379 2003 A 63 GLU HGx A 93 LEU HD2% 1.0 . 2.77 2380 2003 A 93 LEU HD1% A 63 GLU HGx 1.0 . 2.77 2381 2003 A 93 LEU HD1% A 63 GLU HGy 1.0 . 2.77 2382 2004 A 95 HIS HA A 63 GLU HGx 1.0 . 3.97 2383 2004 A 95 HIS HA A 63 GLU HGy 1.0 . 3.97 2384 2005 A 63 GLU HGx A 95 HIS HBx 1.0 . 4.31 2385 2005 A 63 GLU HGy A 95 HIS HBx 1.0 . 4.31 2386 2005 A 95 HIS HBy A 63 GLU HGx 1.0 . 4.31 2387 2005 A 95 HIS HBy A 63 GLU HGy 1.0 . 4.31 2388 2006 A 95 HIS HD2 A 63 GLU HGx 1.0 . 4.70 2389 2006 A 95 HIS HD2 A 63 GLU HGy 1.0 . 4.70 2390 2007 A 64 HIS H A 93 LEU HD2% 1.0 . 3.41 2391 2007 A 64 HIS H A 93 LEU HD1% 1.0 . 3.41 2392 2008 A 64 HIS HA A 93 LEU HD2% 1.0 . 4.77 2393 2008 A 64 HIS HA A 93 LEU HD1% 1.0 . 4.77 2394 2009 A 64 HIS HBy A 93 LEU HD2% 1.0 . 5.44 2395 2009 A 64 HIS HBy A 93 LEU HD1% 1.0 . 5.44 2396 2010 A 64 HIS HD2 A 94 ILE HG1x 1.0 . 3.87 2397 2010 A 64 HIS HD2 A 94 ILE HG1y 1.0 . 3.87 2398 2011 A 65 GLN HA A 93 LEU HD2% 1.0 . 3.59 2399 2011 A 65 GLN HA A 93 LEU HD1% 1.0 . 3.59 2400 2012 A 65 GLN HBy A 93 LEU HD2% 1.0 . 4.34 2401 2012 A 65 GLN HBy A 93 LEU HD1% 1.0 . 4.34 2402 2013 A 65 GLN HGx A 93 LEU HD2% 1.0 . 3.76 2403 2013 A 65 GLN HGx A 93 LEU HD1% 1.0 . 3.76 2404 2014 A 65 GLN HGy A 93 LEU HD2% 1.0 . 3.43 2405 2014 A 65 GLN HGy A 93 LEU HD1% 1.0 . 3.43 2406 2015 A 65 GLN HE2x A 93 LEU HD2% 1.0 . 3.46 2407 2015 A 65 GLN HE2x A 93 LEU HD1% 1.0 . 3.46 2408 2016 A 65 GLN HE2y A 93 LEU HD2% 1.0 . 3.89 2409 2016 A 65 GLN HE2y A 93 LEU HD1% 1.0 . 3.89 2410 2017 A 66 TYR HE% A 94 ILE HG1x 1.0 . 5.34 2411 2017 A 66 TYR HE% A 94 ILE HG1y 1.0 . 5.34 2412 2018 A 68 PHE HD% A 77 ASP HBx 1.0 . 4.75 2413 2018 A 68 PHE HD% A 77 ASP HBy 1.0 . 4.75 2414 2019 A 68 PHE HE% A 77 ASP HBx 1.0 . 3.96 2415 2019 A 68 PHE HE% A 77 ASP HBy 1.0 . 3.96 2416 2020 A 69 PHE HE% A 72 GLY HAx 1.0 . 3.93 2417 2020 A 69 PHE HE% A 72 GLY HAy 1.0 . 3.93 2418 2021 A 69 PHE HZ A 72 GLY HAx 1.0 . 3.96 2419 2021 A 69 PHE HZ A 72 GLY HAy 1.0 . 3.96 2420 2022 A 70 VAL H A 71 ASP HBx 1.0 . 5.34 2421 2022 A 70 VAL H A 71 ASP HBy 1.0 . 5.34 2422 2023 A 72 GLY H A 71 ASP HBx 1.0 . 3.97 2423 2023 A 72 GLY H A 71 ASP HBy 1.0 . 3.97 2424 2024 A 73 GLN H A 73 GLN HGy 1.0 . 3.20 2425 2024 A 73 GLN H A 73 GLN HGx 1.0 . 3.20 2426 2025 A 73 GLN HA A 73 GLN HGy 1.0 . 3.45 2427 2025 A 73 GLN HA A 73 GLN HGx 1.0 . 3.45 2428 2026 A 73 GLN HE2x A 73 GLN HGy 1.0 . 3.04 2429 2026 A 73 GLN HE2x A 73 GLN HGx 1.0 . 3.04 2430 2027 A 73 GLN HE2y A 73 GLN HGy 1.0 . 3.42 2431 2027 A 73 GLN HE2y A 73 GLN HGx 1.0 . 3.42 2432 2028 A 74 TRP H A 73 GLN HGy 1.0 . 4.25 2433 2028 A 74 TRP H A 73 GLN HGx 1.0 . 4.25 2434 2029 A 77 ASP HA A 78 PRO HGy 1.0 . 4.09 2435 2029 A 77 ASP HA A 78 PRO HGx 1.0 . 4.09 2436 2030 A 78 PRO HDy A 77 ASP HBx 1.0 . 4.81 2437 2030 A 78 PRO HDy A 77 ASP HBy 1.0 . 4.81 2438 2031 A 78 PRO HDx A 77 ASP HBx 1.0 . 4.88 2439 2031 A 78 PRO HDx A 77 ASP HBy 1.0 . 4.88 2440 2032 A 79 SER H A 77 ASP HBx 1.0 . 4.20 2441 2032 A 79 SER H A 77 ASP HBy 1.0 . 4.20 2442 2033 A 80 GLU H A 77 ASP HBx 1.0 . 3.96 2443 2033 A 80 GLU H A 77 ASP HBy 1.0 . 3.96 2444 2034 A 79 SER H A 78 PRO HGy 1.0 . 3.44 2445 2034 A 79 SER H A 78 PRO HGx 1.0 . 3.44 2446 2035 A 79 SER H A 79 SER HBy 1.0 . 2.92 2447 2035 A 79 SER H A 79 SER HBx 1.0 . 2.92 2448 2036 A 79 SER H A 80 GLU HGy 1.0 . 4.96 2449 2036 A 79 SER H A 80 GLU HGx 1.0 . 4.96 2450 2037 A 80 GLU H A 79 SER HBy 1.0 . 3.23 2451 2037 A 80 GLU H A 79 SER HBx 1.0 . 3.23 2452 2038 A 79 SER HBx A 80 GLU HGy 1.0 . 4.81 2453 2038 A 79 SER HBy A 80 GLU HGy 1.0 . 4.81 2454 2038 A 80 GLU HGx A 79 SER HBy 1.0 . 4.81 2455 2038 A 79 SER HBx A 80 GLU HGx 1.0 . 4.81 2456 2039 A 80 GLU H A 80 GLU HGy 1.0 . 3.46 2457 2039 A 80 GLU H A 80 GLU HGx 1.0 . 3.46 2458 2040 A 80 GLU HA A 81 PRO HDx 1.0 . 3.43 2459 2040 A 80 GLU HA A 81 PRO HDy 1.0 . 3.43 2460 2041 A 80 GLU HBx A 81 PRO HDx 1.0 . 4.49 2461 2041 A 80 GLU HBx A 81 PRO HDy 1.0 . 4.49 2462 2042 A 80 GLU HGy A 81 PRO HDx 1.0 . 4.43 2463 2042 A 80 GLU HGx A 81 PRO HDx 1.0 . 4.43 2464 2042 A 81 PRO HDy A 80 GLU HGy 1.0 . 4.43 2465 2042 A 80 GLU HGx A 81 PRO HDy 1.0 . 4.43 2466 2043 A 81 PRO HBx A 93 LEU HD2% 1.0 . 4.96 2467 2043 A 81 PRO HBx A 93 LEU HD1% 1.0 . 4.96 2468 2044 A 93 LEU H A 81 PRO HGx 1.0 . 4.45 2469 2044 A 93 LEU H A 81 PRO HGy 1.0 . 4.45 2470 2045 A 93 LEU HBy A 81 PRO HGx 1.0 . 4.61 2471 2045 A 93 LEU HBy A 81 PRO HGy 1.0 . 4.61 2472 2046 A 93 LEU HBx A 81 PRO HGx 1.0 . 4.72 2473 2046 A 93 LEU HBx A 81 PRO HGy 1.0 . 4.72 2474 2047 A 81 PRO HGx A 93 LEU HD2% 1.0 . 4.34 2475 2047 A 81 PRO HGy A 93 LEU HD2% 1.0 . 4.34 2476 2047 A 93 LEU HD1% A 81 PRO HGx 1.0 . 4.34 2477 2047 A 93 LEU HD1% A 81 PRO HGy 1.0 . 4.34 2478 2048 A 82 VAL H A 81 PRO HDx 1.0 . 4.79 2479 2048 A 82 VAL H A 81 PRO HDy 1.0 . 4.79 2480 2049 A 93 LEU H A 81 PRO HDx 1.0 . 4.70 2481 2049 A 93 LEU H A 81 PRO HDy 1.0 . 4.70 2482 2050 A 83 VAL HB A 93 LEU HD2% 1.0 . 4.43 2483 2050 A 83 VAL HB A 93 LEU HD1% 1.0 . 4.43 2484 2051 A 84 THR HG2% A 88 GLY HAx 1.0 . 3.23 2485 2051 A 84 THR HG2% A 88 GLY HAy 1.0 . 3.23 2486 2052 A 85 SER H A 85 SER HBx 1.0 . 3.10 2487 2052 A 85 SER H A 85 SER HBy 1.0 . 3.10 2488 2053 A 89 THR H A 85 SER HBx 1.0 . 3.80 2489 2053 A 89 THR H A 85 SER HBy 1.0 . 3.80 2490 2054 A 89 THR HG2% A 85 SER HBx 1.0 . 4.53 2491 2054 A 89 THR HG2% A 85 SER HBy 1.0 . 4.53 2492 2055 A 91 ASN HBy A 85 SER HBx 1.0 . 5.34 2493 2055 A 91 ASN HBy A 85 SER HBy 1.0 . 5.34 2494 2056 A 91 ASN HD2y A 85 SER HBx 1.0 . 4.15 2495 2056 A 91 ASN HD2y A 85 SER HBy 1.0 . 4.15 2496 2057 A 86 GLN HA A 86 GLN HGx 1.0 . 3.56 2497 2057 A 86 GLN HA A 86 GLN HGy 1.0 . 3.56 2498 2058 A 87 LEU HA A 86 GLN HBx 1.0 . 4.58 2499 2058 A 87 LEU HA A 86 GLN HBy 1.0 . 4.58 2500 2059 A 87 LEU HD1% A 86 GLN HBx 1.0 . 4.19 2501 2059 A 87 LEU HD1% A 86 GLN HBy 1.0 . 4.19 2502 2060 A 87 LEU HD2% A 86 GLN HBx 1.0 . 4.12 2503 2060 A 87 LEU HD2% A 86 GLN HBy 1.0 . 4.12 2504 2061 A 88 GLY H A 86 GLN HBx 1.0 . 5.18 2505 2061 A 88 GLY H A 86 GLN HBy 1.0 . 5.18 2506 2062 A 87 LEU H A 86 GLN HGx 1.0 . 4.42 2507 2062 A 87 LEU H A 86 GLN HGy 1.0 . 4.42 2508 2063 A 87 LEU HA A 86 GLN HGx 1.0 . 4.60 2509 2063 A 87 LEU HA A 86 GLN HGy 1.0 . 4.60 2510 2064 A 87 LEU HG A 86 GLN HGx 1.0 . 4.19 2511 2064 A 87 LEU HG A 86 GLN HGy 1.0 . 4.19 2512 2065 A 87 LEU HD1% A 86 GLN HGx 1.0 . 3.83 2513 2065 A 87 LEU HD1% A 86 GLN HGy 1.0 . 3.83 2514 2066 A 87 LEU HD2% A 86 GLN HGx 1.0 . 4.25 2515 2066 A 87 LEU HD2% A 86 GLN HGy 1.0 . 4.25 2516 2067 A 88 GLY H A 86 GLN HGx 1.0 . 5.01 2517 2067 A 88 GLY H A 86 GLN HGy 1.0 . 5.01 2518 2068 A 87 LEU HA A 88 GLY HAx 1.0 . 4.88 2519 2068 A 87 LEU HA A 88 GLY HAy 1.0 . 4.88 2520 2069 A 89 THR HA A 88 GLY HAx 1.0 . 5.20 2521 2069 A 89 THR HA A 88 GLY HAy 1.0 . 5.20 2522 2070 A 93 LEU HA A 93 LEU HD2% 1.0 . 3.28 2523 2070 A 93 LEU HA A 93 LEU HD1% 1.0 . 3.28 2524 2071 A 93 LEU HBy A 93 LEU HD2% 1.0 . 2.98 2525 2071 A 93 LEU HBy A 93 LEU HD1% 1.0 . 2.98 2526 2072 A 94 ILE H A 93 LEU HD2% 1.0 . 3.07 2527 2072 A 94 ILE H A 93 LEU HD1% 1.0 . 3.07 2528 2073 A 94 ILE HA A 93 LEU HD2% 1.0 . 4.60 2529 2073 A 94 ILE HA A 93 LEU HD1% 1.0 . 4.60 2530 2074 A 95 HIS HA A 93 LEU HD2% 1.0 . 4.42 2531 2074 A 95 HIS HA A 93 LEU HD1% 1.0 . 4.42 2532 2075 A 93 LEU HD2% A 95 HIS HBx 1.0 . 4.69 2533 2075 A 93 LEU HD1% A 95 HIS HBx 1.0 . 4.69 2534 2075 A 95 HIS HBy A 93 LEU HD2% 1.0 . 4.69 2535 2075 A 93 LEU HD1% A 95 HIS HBy 1.0 . 4.69 2536 2076 A 95 HIS HD2 A 93 LEU HD2% 1.0 . 4.46 2537 2076 A 95 HIS HD2 A 93 LEU HD1% 1.0 . 4.46 2538 2077 A 94 ILE H A 94 ILE HG1x 1.0 . 4.72 2539 2077 A 94 ILE H A 94 ILE HG1y 1.0 . 4.72 2540 2078 A 94 ILE HA A 94 ILE HG1x 1.0 . 3.38 2541 2078 A 94 ILE HA A 94 ILE HG1y 1.0 . 3.38 2542 2079 A 94 ILE HG2% A 94 ILE HG1x 1.0 . 3.07 2543 2079 A 94 ILE HG2% A 94 ILE HG1y 1.0 . 3.07 2544 2080 A 96 VAL HA A 94 ILE HG1x 1.0 . 4.93 2545 2080 A 96 VAL HA A 94 ILE HG1y 1.0 . 4.93 2546 2081 A 96 VAL HGy% A 94 ILE HG1x 1.0 . 3.45 2547 2081 A 96 VAL HGy% A 94 ILE HG1y 1.0 . 3.45 2548 2082 A 96 VAL H A 95 HIS HBx 1.0 . 4.04 2549 2082 A 96 VAL H A 95 HIS HBy 1.0 . 4.04 2550 2083 A 96 VAL HGy% A 95 HIS HBx 1.0 . 5.34 2551 2083 A 96 VAL HGy% A 95 HIS HBy 1.0 . 5.34 2552 2084 A 95 HIS HBy A 97 LYS HGx 1.0 . 4.72 2553 2084 A 95 HIS HBx A 97 LYS HGx 1.0 . 4.72 2554 2084 A 97 LYS HGy A 95 HIS HBx 1.0 . 4.72 2555 2084 A 97 LYS HGy A 95 HIS HBy 1.0 . 4.72 2556 2085 A 95 HIS HBy A 97 LYS HEx 1.0 . 4.40 2557 2085 A 95 HIS HBx A 97 LYS HEx 1.0 . 4.40 2558 2085 A 97 LYS HEy A 95 HIS HBx 1.0 . 4.40 2559 2085 A 97 LYS HEy A 95 HIS HBy 1.0 . 4.40 2560 2086 A 97 LYS HA A 97 LYS HDy 1.0 . 4.46 2561 2086 A 97 LYS HA A 97 LYS HDx 1.0 . 4.46 2562 2087 A 97 LYS HBy A 97 LYS HDy 1.0 . 3.24 2563 2087 A 97 LYS HBy A 97 LYS HDx 1.0 . 3.24 2564 2088 A 97 LYS HBx A 97 LYS HDy 1.0 . 3.25 2565 2088 A 97 LYS HBx A 97 LYS HDx 1.0 . 3.25 2566 2089 A 98 LYS HBy A 98 LYS HEx 1.0 . 3.96 2567 2089 A 98 LYS HBx A 98 LYS HEx 1.0 . 3.96 2568 2089 A 98 LYS HEy A 98 LYS HBy 1.0 . 3.96 2569 2089 A 98 LYS HEy A 98 LYS HBx 1.0 . 3.96 2570 2090 A 99 SER H A 98 LYS HBy 1.0 . 3.00 2571 2090 A 99 SER H A 98 LYS HBx 1.0 . 3.00 2572 2091 A 100 ASP H A 98 LYS HBy 1.0 . 4.01 2573 2091 A 100 ASP H A 98 LYS HBx 1.0 . 4.01 2574 2092 A 100 ASP H A 100 ASP HBx 1.0 . 2.96 2575 2092 A 100 ASP H A 100 ASP HBy 1.0 . 2.96 2576 2093 A 101 PHE H A 102 GLU HGy 1.0 . 4.45 2577 2093 A 101 PHE H A 102 GLU HGx 1.0 . 4.45 2578 2094 A 101 PHE H A 103 VAL HGx% 1.0 . 4.61 2579 2094 A 101 PHE H A 103 VAL HG21 1.0 . 4.61 2580 2095 A 101 PHE HD% A 102 GLU HBx 1.0 . 4.98 2581 2095 A 101 PHE HD% A 102 GLU HBy 1.0 . 4.98 2582 2096 A 102 GLU H A 102 GLU HBx 1.0 . 2.69 2583 2096 A 102 GLU H A 102 GLU HBy 1.0 . 2.69 2584 2097 A 102 GLU H A 102 GLU HGy 1.0 . 3.31 2585 2097 A 102 GLU H A 102 GLU HGx 1.0 . 3.31 2586 2098 A 102 GLU HA A 103 VAL HGx% 1.0 . 5.20 2587 2098 A 102 GLU HA A 103 VAL HG21 1.0 . 5.20 2588 2099 A 102 GLU HBx A 102 GLU HGy 1.0 . 2.37 2589 2099 A 102 GLU HBy A 102 GLU HGy 1.0 . 2.37 2590 2099 A 102 GLU HGx A 102 GLU HBx 1.0 . 2.37 2591 2099 A 102 GLU HGx A 102 GLU HBy 1.0 . 2.37 2592 2100 A 103 VAL H A 102 GLU HBx 1.0 . 3.15 2593 2100 A 103 VAL H A 102 GLU HBy 1.0 . 3.15 2594 2101 A 103 VAL H A 102 GLU HGy 1.0 . 4.11 2595 2101 A 103 VAL H A 102 GLU HGx 1.0 . 4.11 2596 2102 A 103 VAL H A 103 VAL HGx% 1.0 . 2.68 2597 2102 A 103 VAL H A 103 VAL HG21 1.0 . 2.68 2598 2103 A 103 VAL HA A 103 VAL HGx% 1.0 . 3.14 2599 2103 A 103 VAL HA A 103 VAL HG21 1.0 . 3.14 2600 2104 A 104 PHE H A 103 VAL HGx% 1.0 . 3.58 2601 2104 A 104 PHE H A 103 VAL HG21 1.0 . 3.58 2602 2105 A 104 PHE HA A 103 VAL HGx% 1.0 . 4.55 2603 2105 A 104 PHE HA A 103 VAL HG21 1.0 . 4.55 2604 2106 A 105 ASP H A 103 VAL HGx% 1.0 . 3.50 2605 2106 A 105 ASP H A 103 VAL HG21 1.0 . 3.50 2606 2107 A 105 ASP HA A 103 VAL HGx% 1.0 . 4.36 2607 2107 A 103 VAL HG21 A 105 ASP HA 1.0 . 4.36 2608 2108 A 104 PHE H A 104 PHE HBx 1.0 . 2.75 2609 2108 A 104 PHE H A 104 PHE HBy 1.0 . 2.75 2610 2109 A 105 ASP H A 104 PHE HBx 1.0 . 3.56 2611 2109 A 105 ASP H A 104 PHE HBy 1.0 . 3.56 2612 2110 A 105 ASP H A 105 ASP HBy 1.0 . 3.00 2613 2110 A 105 ASP H A 105 ASP HBx 1.0 . 3.00 stop_ save_ save_DYANA/DIANA_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_4 _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 8 SER C A 9 ASP N A 9 ASP CA A 9 ASP C 1.0 -108.4 -33.0 PHI 2 2 A 9 ASP N A 9 ASP CA A 9 ASP C A 10 SER N 1.0 -60.3 1.3 PSI 3 3 A 17 ALA C A 18 ARG N A 18 ARG CA A 18 ARG C 1.0 -140.8 -45.1 PHI 4 4 A 18 ARG N A 18 ARG CA A 18 ARG C A 19 PRO N 1.0 102.9 179.3 PSI 5 5 A 19 PRO C A 20 THR N A 20 THR CA A 20 THR C 1.0 -163.5 -48.7 PHI 6 6 A 20 THR N A 20 THR CA A 20 THR C A 21 VAL N 1.0 114.6 156.1 PSI 7 7 A 20 THR C A 21 VAL N A 21 VAL CA A 21 VAL C 1.0 -135.4 -79.1 PHI 8 8 A 21 VAL N A 21 VAL CA A 21 VAL C A 22 ILE N 1.0 101.1 141.1 PSI 9 9 A 21 VAL C A 22 ILE N A 22 ILE CA A 22 ILE C 1.0 -129.1 -89.1 PHI 10 10 A 22 ILE N A 22 ILE CA A 22 ILE C A 23 ARG N 1.0 106.8 149.6 PSI 11 11 A 22 ILE C A 23 ARG N A 23 ARG CA A 23 ARG C 1.0 -168.6 -90.2 PHI 12 12 A 23 ARG N A 23 ARG CA A 23 ARG C A 24 TRP N 1.0 106.7 185.3 PSI 13 13 A 23 ARG C A 24 TRP N A 24 TRP CA A 24 TRP C 1.0 -148.5 -84.0 PHI 14 14 A 24 TRP N A 24 TRP CA A 24 TRP C A 25 SER N 1.0 95.4 152.0 PSI 15 15 A 24 TRP C A 25 SER N A 25 SER CA A 25 SER C 1.0 -135.3 -59.0 PHI 16 16 A 25 SER N A 25 SER CA A 25 SER C A 26 GLU N 1.0 96.6 164.4 PSI 17 17 A 26 GLU C A 27 GLY N A 27 GLY CA A 27 GLY C 1.0 55.2 126.8 PHI 18 18 A 27 GLY N A 27 GLY CA A 27 GLY C A 28 GLY N 1.0 -23.9 42.4 PSI 19 19 A 28 GLY C A 29 LYS N A 29 LYS CA A 29 LYS C 1.0 -113.4 -71.0 PHI 20 20 A 29 LYS N A 29 LYS CA A 29 LYS C A 30 GLU N 1.0 -53.1 1.9 PSI 21 21 A 29 LYS C A 30 GLU N A 30 GLU CA A 30 GLU C 1.0 -166.4 -126.4 PHI 22 22 A 30 GLU N A 30 GLU CA A 30 GLU C A 31 VAL N 1.0 118.5 161.2 PSI 23 23 A 30 GLU C A 31 VAL N A 31 VAL CA A 31 VAL C 1.0 -140.7 -93.3 PHI 24 24 A 31 VAL N A 31 VAL CA A 31 VAL C A 32 PHE N 1.0 105.7 145.7 PSI 25 25 A 31 VAL C A 32 PHE N A 32 PHE CA A 32 PHE C 1.0 -149.6 -109.6 PHI 26 26 A 32 PHE N A 32 PHE CA A 32 PHE C A 33 ILE N 1.0 134.6 181.3 PSI 27 27 A 32 PHE C A 33 ILE N A 33 ILE CA A 33 ILE C 1.0 -173.7 -95.2 PHI 28 28 A 33 ILE N A 33 ILE CA A 33 ILE C A 34 SER N 1.0 129.4 169.4 PSI 29 29 A 33 ILE C A 34 SER N A 34 SER CA A 34 SER C 1.0 -173.5 -126.8 PHI 30 30 A 34 SER N A 34 SER CA A 34 SER C A 35 GLY N 1.0 139.8 179.8 PSI 31 31 A 35 GLY C A 36 SER N A 36 SER CA A 36 SER C 1.0 -77.7 -35.7 PHI 32 32 A 36 SER N A 36 SER CA A 36 SER C A 37 PHE N 1.0 -62.5 1.9 PSI 33 33 A 36 SER C A 37 PHE N A 37 PHE CA A 37 PHE C 1.0 -125.3 -59.9 PHI 34 34 A 37 PHE N A 37 PHE CA A 37 PHE C A 38 ASN N 1.0 -25.1 14.9 PSI 35 35 A 39 ASN C A 40 TRP N A 40 TRP CA A 40 TRP C 1.0 37.5 77.5 PHI 36 36 A 40 TRP N A 40 TRP CA A 40 TRP C A 41 SER N 1.0 10.1 52.7 PSI 37 37 A 40 TRP C A 41 SER N A 41 SER CA A 41 SER C 1.0 -128.7 -57.2 PHI 38 38 A 41 SER N A 41 SER CA A 41 SER C A 42 THR N 1.0 -75.1 31.4 PSI 39 39 A 41 SER C A 42 THR N A 42 THR CA A 42 THR C 1.0 -171.0 -49.4 PHI 40 40 A 42 THR N A 42 THR CA A 42 THR C A 43 LYS N 1.0 112.9 184.6 PSI 41 41 A 42 THR C A 43 LYS N A 43 LYS CA A 43 LYS C 1.0 -147.0 -70.6 PHI 42 42 A 43 LYS N A 43 LYS CA A 43 LYS C A 44 ILE N 1.0 107.9 147.9 PSI 43 43 A 43 LYS C A 44 ILE N A 44 ILE CA A 44 ILE C 1.0 -138.2 -58.9 PHI 44 44 A 44 ILE N A 44 ILE CA A 44 ILE C A 45 PRO N 1.0 92.0 148.8 PSI 45 45 A 45 PRO C A 46 LEU N A 46 LEU CA A 46 LEU C 1.0 -161.5 -67.2 PHI 46 46 A 46 LEU N A 46 LEU CA A 46 LEU C A 47 ILE N 1.0 72.8 175.6 PSI 47 47 A 47 ILE C A 48 LYS N A 48 LYS CA A 48 LYS C 1.0 -148.4 -36.2 PHI 48 48 A 48 LYS N A 48 LYS CA A 48 LYS C A 49 SER N 1.0 74.7 200.8 PSI 49 49 A 48 LYS C A 49 SER N A 49 SER CA A 49 SER C 1.0 -111.3 -66.1 PHI 50 50 A 49 SER N A 49 SER CA A 49 SER C A 50 HIS N 1.0 63.9 169.6 PSI 51 51 A 49 SER C A 50 HIS N A 50 HIS CA A 50 HIS C 1.0 -90.5 -41.6 PHI 52 52 A 50 HIS N A 50 HIS CA A 50 HIS C A 51 ASN N 1.0 -38.4 8.2 PSI 53 53 A 50 HIS C A 51 ASN N A 51 ASN CA A 51 ASN C 1.0 -110.2 -70.2 PHI 54 54 A 51 ASN N A 51 ASN CA A 51 ASN C A 52 ASP N 1.0 -57.5 39.3 PSI 55 55 A 52 ASP C A 53 PHE N A 53 PHE CA A 53 PHE C 1.0 -174.7 -85.8 PHI 56 56 A 53 PHE N A 53 PHE CA A 53 PHE C A 54 VAL N 1.0 112.8 169.2 PSI 57 57 A 53 PHE C A 54 VAL N A 54 VAL CA A 54 VAL C 1.0 -156.4 -110.2 PHI 58 58 A 54 VAL N A 54 VAL CA A 54 VAL C A 55 ALA N 1.0 119.7 178.4 PSI 59 59 A 54 VAL C A 55 ALA N A 55 ALA CA A 55 ALA C 1.0 -161.9 -97.3 PHI 60 60 A 55 ALA N A 55 ALA CA A 55 ALA C A 56 ILE N 1.0 114.9 166.1 PSI 61 61 A 55 ALA C A 56 ILE N A 56 ILE CA A 56 ILE C 1.0 -138.2 -73.2 PHI 62 62 A 56 ILE N A 56 ILE CA A 56 ILE C A 57 LEU N 1.0 104.0 149.0 PSI 63 63 A 56 ILE C A 57 LEU N A 57 LEU CA A 57 LEU C 1.0 -160.7 -77.4 PHI 64 64 A 57 LEU N A 57 LEU CA A 57 LEU C A 58 ASP N 1.0 100.5 168.4 PSI 65 65 A 57 LEU C A 58 ASP N A 58 ASP CA A 58 ASP C 1.0 -129.4 -60.0 PHI 66 66 A 58 ASP N A 58 ASP CA A 58 ASP C A 59 LEU N 1.0 90.7 161.7 PSI 67 67 A 58 ASP C A 59 LEU N A 59 LEU CA A 59 LEU C 1.0 -160.5 -57.9 PHI 68 68 A 59 LEU N A 59 LEU CA A 59 LEU C A 60 PRO N 1.0 93.7 171.6 PSI 69 69 A 62 GLY C A 63 GLU N A 63 GLU CA A 63 GLU C 1.0 -147.9 -71.0 PHI 70 70 A 63 GLU N A 63 GLU CA A 63 GLU C A 64 HIS N 1.0 107.3 163.8 PSI 71 71 A 63 GLU C A 64 HIS N A 64 HIS CA A 64 HIS C 1.0 -160.9 -91.8 PHI 72 72 A 64 HIS N A 64 HIS CA A 64 HIS C A 65 GLN N 1.0 118.7 166.6 PSI 73 73 A 64 HIS C A 65 GLN N A 65 GLN CA A 65 GLN C 1.0 -153.9 -88.6 PHI 74 74 A 65 GLN N A 65 GLN CA A 65 GLN C A 66 TYR N 1.0 125.3 168.8 PSI 75 75 A 65 GLN C A 66 TYR N A 66 TYR CA A 66 TYR C 1.0 -183.5 -101.5 PHI 76 76 A 66 TYR N A 66 TYR CA A 66 TYR C A 67 LYS N 1.0 139.9 185.2 PSI 77 77 A 66 TYR C A 67 LYS N A 67 LYS CA A 67 LYS C 1.0 -165.7 -125.7 PHI 78 78 A 67 LYS N A 67 LYS CA A 67 LYS C A 68 PHE N 1.0 120.2 184.4 PSI 79 79 A 67 LYS C A 68 PHE N A 68 PHE CA A 68 PHE C 1.0 -161.9 -91.1 PHI 80 80 A 68 PHE N A 68 PHE CA A 68 PHE C A 69 PHE N 1.0 108.0 154.3 PSI 81 81 A 68 PHE C A 69 PHE N A 69 PHE CA A 69 PHE C 1.0 -146.1 -80.0 PHI 82 82 A 69 PHE N A 69 PHE CA A 69 PHE C A 70 VAL N 1.0 95.4 152.6 PSI 83 83 A 69 PHE C A 70 VAL N A 70 VAL CA A 70 VAL C 1.0 -130.0 -78.6 PHI 84 84 A 70 VAL N A 70 VAL CA A 70 VAL C A 71 ASP N 1.0 97.4 161.0 PSI 85 85 A 71 ASP C A 72 GLY N A 72 GLY CA A 72 GLY C 1.0 52.8 111.5 PHI 86 86 A 72 GLY N A 72 GLY CA A 72 GLY C A 73 GLN N 1.0 -35.9 36.6 PSI 87 87 A 72 GLY C A 73 GLN N A 73 GLN CA A 73 GLN C 1.0 -171.4 -64.5 PHI 88 88 A 73 GLN N A 73 GLN CA A 73 GLN C A 74 TRP N 1.0 129.3 193.5 PSI 89 89 A 73 GLN C A 74 TRP N A 74 TRP CA A 74 TRP C 1.0 -119.4 -79.3 PHI 90 90 A 74 TRP N A 74 TRP CA A 74 TRP C A 75 VAL N 1.0 112.6 153.5 PSI 91 91 A 74 TRP C A 75 VAL N A 75 VAL CA A 75 VAL C 1.0 -160.4 -100.6 PHI 92 92 A 75 VAL N A 75 VAL CA A 75 VAL C A 76 HIS N 1.0 138.0 179.7 PSI 93 93 A 75 VAL C A 76 HIS N A 76 HIS CA A 76 HIS C 1.0 -159.1 -90.0 PHI 94 94 A 76 HIS N A 76 HIS CA A 76 HIS C A 77 ASP N 1.0 117.0 169.5 PSI 95 95 A 76 HIS C A 77 ASP N A 77 ASP CA A 77 ASP C 1.0 -159.1 -85.9 PHI 96 96 A 77 ASP N A 77 ASP CA A 77 ASP C A 78 PRO N 1.0 68.0 183.1 PSI 97 97 A 79 SER C A 80 GLU N A 80 GLU CA A 80 GLU C 1.0 -176.0 -44.7 PHI 98 98 A 80 GLU N A 80 GLU CA A 80 GLU C A 81 PRO N 1.0 47.6 180.3 PSI 99 99 A 81 PRO C A 82 VAL N A 82 VAL CA A 82 VAL C 1.0 -162.3 -91.8 PHI 100 100 A 82 VAL N A 82 VAL CA A 82 VAL C A 83 VAL N 1.0 143.5 183.9 PSI 101 101 A 82 VAL C A 83 VAL N A 83 VAL CA A 83 VAL C 1.0 -155.7 -115.7 PHI 102 102 A 83 VAL N A 83 VAL CA A 83 VAL C A 84 THR N 1.0 109.5 160.0 PSI 103 103 A 83 VAL C A 84 THR N A 84 THR CA A 84 THR C 1.0 -122.2 -79.9 PHI 104 104 A 84 THR N A 84 THR CA A 84 THR C A 85 SER N 1.0 101.2 141.2 PSI 105 105 A 85 SER C A 86 GLN N A 86 GLN CA A 86 GLN C 1.0 -83.7 -43.7 PHI 106 106 A 86 GLN N A 86 GLN CA A 86 GLN C A 87 LEU N 1.0 -47.4 -4.2 PSI 107 107 A 86 GLN C A 87 LEU N A 87 LEU CA A 87 LEU C 1.0 -108.7 -67.3 PHI 108 108 A 87 LEU N A 87 LEU CA A 87 LEU C A 88 GLY N 1.0 -16.1 23.9 PSI 109 109 A 87 LEU C A 88 GLY N A 88 GLY CA A 88 GLY C 1.0 68.1 108.1 PHI 110 110 A 88 GLY N A 88 GLY CA A 88 GLY C A 89 THR N 1.0 -20.1 33.4 PSI 111 111 A 88 GLY C A 89 THR N A 89 THR CA A 89 THR C 1.0 -119.9 -57.1 PHI 112 112 A 89 THR N A 89 THR CA A 89 THR C A 90 ILE N 1.0 110.4 175.9 PSI 113 113 A 90 ILE C A 91 ASN N A 91 ASN CA A 91 ASN C 1.0 -153.7 -88.2 PHI 114 114 A 91 ASN N A 91 ASN CA A 91 ASN C A 92 ASN N 1.0 126.2 193.7 PSI 115 115 A 91 ASN C A 92 ASN N A 92 ASN CA A 92 ASN C 1.0 -188.9 -78.2 PHI 116 116 A 92 ASN N A 92 ASN CA A 92 ASN C A 93 LEU N 1.0 110.1 185.9 PSI 117 117 A 92 ASN C A 93 LEU N A 93 LEU CA A 93 LEU C 1.0 -147.2 -107.2 PHI 118 118 A 93 LEU N A 93 LEU CA A 93 LEU C A 94 ILE N 1.0 110.2 163.5 PSI 119 119 A 93 LEU C A 94 ILE N A 94 ILE CA A 94 ILE C 1.0 -156.0 -116.0 PHI 120 120 A 94 ILE N A 94 ILE CA A 94 ILE C A 95 HIS N 1.0 108.9 148.9 PSI 121 121 A 94 ILE C A 95 HIS N A 95 HIS CA A 95 HIS C 1.0 -141.1 -84.7 PHI 122 122 A 95 HIS N A 95 HIS CA A 95 HIS C A 96 VAL N 1.0 99.3 139.3 PSI 123 123 A 95 HIS C A 96 VAL N A 96 VAL CA A 96 VAL C 1.0 -134.1 -75.1 PHI 124 124 A 96 VAL N A 96 VAL CA A 96 VAL C A 97 LYS N 1.0 97.9 144.9 PSI 125 125 A 96 VAL C A 97 LYS N A 97 LYS CA A 97 LYS C 1.0 -175.2 -54.0 PHI 126 126 A 97 LYS N A 97 LYS CA A 97 LYS C A 98 LYS N 1.0 87.0 185.3 PSI 127 127 A 97 LYS C A 98 LYS N A 98 LYS CA A 98 LYS C 1.0 -117.3 -38.0 PHI 128 128 A 98 LYS N A 98 LYS CA A 98 LYS C A 99 SER N 1.0 113.7 161.5 PSI 129 129 A 99 SER C A 100 ASP N A 100 ASP CA A 100 ASP C 1.0 -106.1 -41.3 PHI 130 130 A 100 ASP N A 100 ASP CA A 100 ASP C A 101 PHE N 1.0 -58.7 11.9 PSI stop_ save_