data_nef_c15021_2i7u 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 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 MET start . . 2 A 2 LYS middle . . 3 A 3 LYS middle . . 4 A 4 LEU middle . . 5 A 5 ARG middle . . 6 A 6 GLU middle . . 7 A 7 GLU middle . . 8 A 8 ALA middle . . 9 A 9 ALA middle . . 10 A 10 LYS middle . . 11 A 11 LEU middle . . 12 A 12 PHE middle . . 13 A 13 GLU middle . . 14 A 14 GLU middle . . 15 A 15 TRP middle . . 16 A 16 LYS middle . . 17 A 17 LYS middle . . 18 A 18 LEU middle . . 19 A 19 ALA middle . . 20 A 20 GLU middle . . 21 A 21 GLU middle . . 22 A 22 ALA middle . . 23 A 23 ALA middle . . 24 A 24 LYS middle . . 25 A 25 LEU middle . . 26 A 26 LEU middle . . 27 A 27 GLU middle . . 28 A 28 GLY middle . false 29 A 29 GLY middle . false 30 A 30 GLY middle . false 31 A 31 GLY middle . false 32 A 32 GLY middle . false 33 A 33 GLY middle . false 34 A 34 GLY middle . false 35 A 35 GLY middle . false 36 A 36 GLU middle . . 37 A 37 LEU middle . . 38 A 38 MET middle . . 39 A 39 LYS middle . . 40 A 40 LEU middle . . 41 A 41 CYS middle . . 42 A 42 GLU middle . . 43 A 43 GLU middle . . 44 A 44 ALA middle . . 45 A 45 ALA middle . . 46 A 46 LYS middle . . 47 A 47 LYS middle . . 48 A 48 ALA middle . . 49 A 49 GLU middle . . 50 A 50 GLU middle . . 51 A 51 LEU middle . . 52 A 52 PHE middle . . 53 A 53 LYS middle . . 54 A 54 LEU middle . . 55 A 55 ALA middle . . 56 A 56 GLU middle . . 57 A 57 GLU middle . . 58 A 58 ARG middle . . 59 A 59 LEU middle . . 60 A 60 LYS middle . . 61 A 61 LYS middle . . 62 A 62 LEU end . . 63 B 1 MET start . . 64 B 2 LYS middle . . 65 B 3 LYS middle . . 66 B 4 LEU middle . . 67 B 5 ARG middle . . 68 B 6 GLU middle . . 69 B 7 GLU middle . . 70 B 8 ALA middle . . 71 B 9 ALA middle . . 72 B 10 LYS middle . . 73 B 11 LEU middle . . 74 B 12 PHE middle . . 75 B 13 GLU middle . . 76 B 14 GLU middle . . 77 B 15 TRP middle . . 78 B 16 LYS middle . . 79 B 17 LYS middle . . 80 B 18 LEU middle . . 81 B 19 ALA middle . . 82 B 20 GLU middle . . 83 B 21 GLU middle . . 84 B 22 ALA middle . . 85 B 23 ALA middle . . 86 B 24 LYS middle . . 87 B 25 LEU middle . . 88 B 26 LEU middle . . 89 B 27 GLU middle . . 90 B 28 GLY middle . false 91 B 29 GLY middle . false 92 B 30 GLY middle . false 93 B 31 GLY middle . false 94 B 32 GLY middle . false 95 B 33 GLY middle . false 96 B 34 GLY middle . false 97 B 35 GLY middle . false 98 B 36 GLU middle . . 99 B 37 LEU middle . . 100 B 38 MET middle . . 101 B 39 LYS middle . . 102 B 40 LEU middle . . 103 B 41 CYS middle . . 104 B 42 GLU middle . . 105 B 43 GLU middle . . 106 B 44 ALA middle . . 107 B 45 ALA middle . . 108 B 46 LYS middle . . 109 B 47 LYS middle . . 110 B 48 ALA middle . . 111 B 49 GLU middle . . 112 B 50 GLU middle . . 113 B 51 LEU middle . . 114 B 52 PHE middle . . 115 B 53 LYS middle . . 116 B 54 LEU middle . . 117 B 55 ALA middle . . 118 B 56 GLU middle . . 119 B 57 GLU middle . . 120 B 58 ARG middle . . 121 B 59 LEU middle . . 122 B 60 LYS middle . . 123 B 61 LYS middle . . 124 B 62 LEU 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 MET HE% H 1 2.111 0.010 A 1 MET C C 13 172.500 0.100 A 1 MET CA C 13 55.427 0.100 A 1 MET CB C 13 33.395 0.100 A 1 MET CE C 13 13.742 0.100 A 2 LYS H H 1 8.806 0.010 A 2 LYS HA H 1 4.326 0.073 A 2 LYS HBy H 1 1.979 0.020 A 2 LYS HBx H 1 1.732 0.010 A 2 LYS HDx H 1 1.649 0.010 A 2 LYS HDy H 1 1.649 0.010 A 2 LYS HGx H 1 1.238 0.010 A 2 LYS HGy H 1 1.238 0.010 A 2 LYS C C 13 176.394 0.100 A 2 LYS CA C 13 57.098 0.100 A 2 LYS CB C 13 33.293 0.100 A 2 LYS CD C 13 30.075 0.100 A 2 LYS N N 15 124.851 0.100 A 3 LYS H H 1 8.514 0.010 A 3 LYS HA H 1 4.462 0.010 A 3 LYS HBx H 1 1.928 0.010 A 3 LYS HBy H 1 1.928 0.010 A 3 LYS HDx H 1 1.561 0.010 A 3 LYS HDy H 1 1.561 0.010 A 3 LYS HEx H 1 3.054 0.010 A 3 LYS HEy H 1 3.054 0.010 A 3 LYS HGx H 1 1.271 0.010 A 3 LYS HGy H 1 1.271 0.010 A 3 LYS C C 13 179.355 0.100 A 3 LYS CA C 13 57.439 0.100 A 3 LYS CB C 13 33.549 0.100 A 3 LYS CD C 13 31.710 0.100 A 3 LYS CE C 13 42.270 0.100 A 3 LYS CG C 13 25.000 0.100 A 3 LYS N N 15 122.754 0.100 A 4 LEU H H 1 8.309 0.010 A 4 LEU HA H 1 4.325 0.010 A 4 LEU HBx H 1 1.707 0.010 A 4 LEU HBy H 1 1.707 0.010 A 4 LEU HDx% H 1 0.968 0.010 A 4 LEU HDy% H 1 0.968 0.010 A 4 LEU HG H 1 1.618 0.010 A 4 LEU C C 13 177.600 0.100 A 4 LEU CA C 13 55.658 0.100 A 4 LEU CB C 13 42.794 0.100 A 4 LEU CDx C 13 24.620 0.100 A 4 LEU N N 15 122.195 0.100 A 5 ARG H H 1 8.162 0.010 A 5 ARG HA H 1 4.274 0.177 A 5 ARG HBx H 1 1.948 0.010 A 5 ARG HBy H 1 1.979 0.010 A 5 ARG HDx H 1 3.270 0.023 A 5 ARG HDy H 1 3.270 0.023 A 5 ARG HGx H 1 1.746 0.011 A 5 ARG HGy H 1 1.746 0.011 A 5 ARG C C 13 177.200 0.100 A 5 ARG CA C 13 59.490 0.100 A 5 ARG CB C 13 32.180 2.159 A 5 ARG CD C 13 43.447 0.100 A 5 ARG CG C 13 27.299 0.100 A 5 ARG N N 15 119.500 0.100 A 6 GLU H H 1 8.159 0.010 A 6 GLU HA H 1 4.065 0.010 A 6 GLU HBx H 1 2.019 0.010 A 6 GLU HBy H 1 2.019 0.010 A 6 GLU HGx H 1 2.291 0.022 A 6 GLU HGy H 1 2.291 0.022 A 6 GLU C C 13 178.452 0.100 A 6 GLU CA C 13 59.156 0.100 A 6 GLU CB C 13 28.376 0.100 A 6 GLU CG C 13 33.144 0.100 A 6 GLU N N 15 119.385 0.100 A 7 GLU H H 1 8.319 0.010 A 7 GLU HA H 1 4.308 0.084 A 7 GLU HBx H 1 2.069 0.010 A 7 GLU HBy H 1 2.069 0.010 A 7 GLU HGx H 1 2.305 0.010 A 7 GLU HGy H 1 2.305 0.010 A 7 GLU C C 13 178.593 0.100 A 7 GLU CA C 13 58.882 0.100 A 7 GLU CB C 13 28.945 0.100 A 7 GLU CG C 13 33.263 0.100 A 7 GLU N N 15 119.619 0.100 A 8 ALA H H 1 8.322 0.010 A 8 ALA HA H 1 4.138 0.148 A 8 ALA HB% H 1 1.495 0.022 A 8 ALA C C 13 178.499 0.100 A 8 ALA CA C 13 55.196 0.115 A 8 ALA CB C 13 18.806 0.242 A 8 ALA N N 15 121.847 0.100 A 9 ALA H H 1 8.095 0.010 A 9 ALA HA H 1 4.236 0.041 A 9 ALA HB% H 1 1.516 0.010 A 9 ALA C C 13 180.166 0.100 A 9 ALA CA C 13 54.380 0.100 A 9 ALA CB C 13 18.430 0.100 A 9 ALA N N 15 118.600 0.100 A 10 LYS H H 1 7.814 0.010 A 10 LYS HA H 1 4.121 0.020 A 10 LYS HBx H 1 1.988 0.010 A 10 LYS HBy H 1 1.988 0.010 A 10 LYS HDx H 1 1.907 0.010 A 10 LYS HDy H 1 1.907 0.010 A 10 LYS HEx H 1 3.053 0.010 A 10 LYS HEy H 1 3.053 0.010 A 10 LYS HGx H 1 1.482 0.015 A 10 LYS HGy H 1 1.482 0.015 A 10 LYS C C 13 179.134 0.100 A 10 LYS CA C 13 59.347 0.100 A 10 LYS CB C 13 32.430 0.207 A 10 LYS CE C 13 39.226 0.153 A 10 LYS N N 15 117.743 0.100 A 11 LEU H H 1 7.799 0.010 A 11 LEU HA H 1 4.170 0.014 A 11 LEU HBx H 1 1.962 0.017 A 11 LEU HBy H 1 1.962 0.017 A 11 LEU HDx% H 1 0.930 0.010 A 11 LEU HDy% H 1 0.930 0.010 A 11 LEU HG H 1 1.532 0.010 A 11 LEU CA C 13 58.031 0.107 A 11 LEU CB C 13 41.608 0.100 A 11 LEU CG C 13 25.138 0.100 A 11 LEU N N 15 120.756 0.100 A 12 PHE H H 1 8.812 0.010 A 12 PHE HA H 1 4.431 0.092 A 12 PHE HBy H 1 3.312 0.013 A 12 PHE HBx H 1 3.161 0.010 A 12 PHE HDx H 1 7.320 0.010 A 12 PHE HDy H 1 7.320 0.010 A 12 PHE C C 13 176.530 0.100 A 12 PHE CA C 13 61.846 0.100 A 12 PHE CB C 13 38.617 0.100 A 12 PHE N N 15 118.505 0.100 A 13 GLU H H 1 8.272 0.010 A 13 GLU HA H 1 4.065 0.010 A 13 GLU HBx H 1 2.019 0.010 A 13 GLU HBy H 1 2.019 0.010 A 13 GLU HGx H 1 2.291 0.022 A 13 GLU HGy H 1 2.291 0.022 A 13 GLU C C 13 178.452 0.100 A 13 GLU CA C 13 59.570 0.100 A 13 GLU CB C 13 28.620 0.100 A 13 GLU CG C 13 33.144 0.100 A 13 GLU N N 15 119.766 0.100 A 14 GLU H H 1 8.317 0.010 A 14 GLU HA H 1 4.131 0.059 A 14 GLU HBx H 1 2.005 0.200 A 14 GLU HBy H 1 2.005 0.200 A 14 GLU HGx H 1 2.224 0.010 A 14 GLU HGy H 1 2.224 0.010 A 14 GLU C C 13 178.700 0.100 A 14 GLU CA C 13 58.899 0.100 A 14 GLU CB C 13 28.692 0.100 A 14 GLU N N 15 120.361 0.100 A 15 TRP H H 1 8.924 0.010 A 15 TRP HA H 1 4.156 0.042 A 15 TRP HBy H 1 3.514 0.031 A 15 TRP HBx H 1 3.166 0.010 A 15 TRP HE3 H 1 7.142 0.010 A 15 TRP HH2 H 1 7.120 0.010 A 15 TRP HZ2 H 1 7.123 0.010 A 15 TRP HZ3 H 1 7.082 0.010 A 15 TRP C C 13 177.925 0.100 A 15 TRP CA C 13 58.770 0.100 A 15 TRP CB C 13 28.687 0.216 A 15 TRP N N 15 121.400 0.100 A 16 LYS H H 1 7.957 0.010 A 16 LYS HA H 1 4.256 0.010 A 16 LYS HBx H 1 1.961 0.045 A 16 LYS HBy H 1 1.961 0.045 A 16 LYS HDx H 1 1.746 0.010 A 16 LYS HDy H 1 1.746 0.010 A 16 LYS HEx H 1 3.049 0.010 A 16 LYS HEy H 1 3.049 0.010 A 16 LYS C C 13 178.414 0.100 A 16 LYS CA C 13 58.293 0.100 A 16 LYS CB C 13 32.597 0.100 A 16 LYS CD C 13 29.227 0.100 A 16 LYS N N 15 118.010 0.100 A 17 LYS H H 1 7.869 0.010 A 17 LYS HA H 1 4.183 0.010 A 17 LYS HBx H 1 2.002 0.019 A 17 LYS HBy H 1 2.002 0.019 A 17 LYS HEx H 1 2.868 0.010 A 17 LYS HEy H 1 2.868 0.010 A 17 LYS C C 13 179.887 0.100 A 17 LYS CA C 13 59.965 0.100 A 17 LYS CB C 13 32.338 0.129 A 17 LYS N N 15 119.926 0.100 A 18 LEU H H 1 7.865 0.010 A 18 LEU HA H 1 4.050 0.010 A 18 LEU HBx H 1 1.576 0.013 A 18 LEU HBy H 1 1.576 0.013 A 18 LEU HDx% H 1 0.803 0.010 A 18 LEU HDy% H 1 0.803 0.010 A 18 LEU CA C 13 57.704 0.100 A 18 LEU CB C 13 42.016 0.151 A 18 LEU N N 15 120.057 0.100 A 19 ALA H H 1 8.457 0.010 A 19 ALA HA H 1 3.983 0.022 A 19 ALA HB% H 1 1.527 0.026 A 19 ALA C C 13 179.037 0.100 A 19 ALA CA C 13 55.442 0.100 A 19 ALA CB C 13 18.359 0.100 A 19 ALA N N 15 121.187 0.100 A 20 GLU H H 1 8.377 0.010 A 20 GLU HA H 1 4.072 0.112 A 20 GLU HBx H 1 2.172 0.016 A 20 GLU HBy H 1 2.172 0.016 A 20 GLU HGx H 1 2.494 0.010 A 20 GLU HGy H 1 2.494 0.010 A 20 GLU C C 13 179.320 0.100 A 20 GLU CA C 13 59.827 0.100 A 20 GLU CB C 13 28.632 0.100 A 20 GLU N N 15 116.558 0.100 A 21 GLU H H 1 8.144 0.010 A 21 GLU HA H 1 4.065 0.172 A 21 GLU HBx H 1 2.078 0.041 A 21 GLU HBy H 1 2.078 0.041 A 21 GLU HGx H 1 2.481 0.010 A 21 GLU HGy H 1 2.481 0.010 A 21 GLU C C 13 178.799 0.100 A 21 GLU CA C 13 58.828 0.256 A 21 GLU CB C 13 28.617 0.100 A 21 GLU N N 15 119.950 0.100 A 22 ALA H H 1 8.650 0.010 A 22 ALA HA H 1 3.885 0.067 A 22 ALA HB% H 1 1.250 0.156 A 22 ALA C C 13 178.200 0.100 A 22 ALA CA C 13 55.521 0.310 A 22 ALA CB C 13 17.568 0.100 A 22 ALA N N 15 121.913 0.100 A 23 ALA H H 1 8.101 0.010 A 23 ALA HA H 1 4.048 0.053 A 23 ALA HB% H 1 1.610 0.021 A 23 ALA C C 13 179.476 0.100 A 23 ALA CA C 13 55.969 0.124 A 23 ALA CB C 13 18.064 0.100 A 23 ALA N N 15 119.810 0.100 A 24 LYS H H 1 7.707 0.010 A 24 LYS HA H 1 4.047 0.030 A 24 LYS HBx H 1 1.969 0.010 A 24 LYS HBy H 1 1.969 0.010 A 24 LYS HDx H 1 1.736 0.010 A 24 LYS HDy H 1 1.736 0.010 A 24 LYS HEx H 1 3.032 0.010 A 24 LYS HEy H 1 3.032 0.010 A 24 LYS HGx H 1 1.541 0.010 A 24 LYS HGy H 1 1.541 0.010 A 24 LYS C C 13 179.941 0.100 A 24 LYS CA C 13 59.503 0.100 A 24 LYS CB C 13 32.454 0.152 A 24 LYS CE C 13 38.248 0.100 A 24 LYS CG C 13 21.074 0.100 A 24 LYS N N 15 116.577 0.100 A 25 LEU H H 1 7.787 0.010 A 25 LEU HA H 1 4.201 0.016 A 25 LEU HBx H 1 1.649 0.010 A 25 LEU HBy H 1 1.649 0.010 A 25 LEU HDx% H 1 0.327 0.010 A 25 LEU HDy% H 1 0.327 0.010 A 25 LEU C C 13 180.278 0.100 A 25 LEU CA C 13 57.820 0.100 A 25 LEU CB C 13 42.439 0.143 A 25 LEU N N 15 119.918 0.100 A 26 LEU H H 1 8.351 0.010 A 26 LEU HA H 1 4.087 0.037 A 26 LEU HBx H 1 1.607 0.010 A 26 LEU HBy H 1 1.607 0.010 A 26 LEU HDx% H 1 0.706 0.010 A 26 LEU HDy% H 1 0.706 0.010 A 26 LEU C C 13 178.819 0.100 A 26 LEU CA C 13 57.551 0.148 A 26 LEU CB C 13 42.110 0.426 A 26 LEU N N 15 119.400 0.100 A 27 GLU H H 1 7.984 0.010 A 27 GLU HA H 1 4.307 0.021 A 27 GLU HBx H 1 2.223 0.024 A 27 GLU HBy H 1 2.223 0.024 A 27 GLU HGx H 1 2.589 0.010 A 27 GLU HGy H 1 2.589 0.010 A 27 GLU C C 13 177.188 0.100 A 27 GLU CA C 13 57.110 0.100 A 27 GLU CB C 13 28.796 0.134 A 27 GLU CG C 13 33.613 0.100 A 27 GLU N N 15 116.598 0.100 A 28 GLY H H 1 7.748 0.010 A 28 GLY HAx H 1 4.127 0.010 A 28 GLY HAy H 1 4.127 0.010 A 28 GLY C C 13 174.992 0.100 A 28 GLY CA C 13 45.813 0.100 A 28 GLY N N 15 106.581 0.100 A 29 GLY H H 1 8.163 0.010 A 29 GLY HAx H 1 4.094 0.010 A 29 GLY HAy H 1 4.094 0.010 A 29 GLY C C 13 175.241 0.100 A 29 GLY CA C 13 45.043 0.179 A 29 GLY N N 15 108.173 0.100 A 30 GLY H H 1 8.098 0.010 A 30 GLY HAx H 1 4.093 0.010 A 30 GLY HAy H 1 4.093 0.010 A 30 GLY C C 13 175.087 0.100 A 30 GLY CA C 13 45.768 0.100 A 30 GLY N N 15 108.253 0.100 A 31 GLY H H 1 8.355 0.010 A 31 GLY HAx H 1 4.091 0.010 A 31 GLY HAy H 1 4.091 0.010 A 31 GLY CA C 13 45.743 0.100 A 31 GLY N N 15 108.685 0.100 A 32 GLY H H 1 8.396 0.010 A 32 GLY HAx H 1 4.094 0.010 A 32 GLY HAy H 1 4.094 0.010 A 32 GLY C C 13 174.937 0.100 A 32 GLY CA C 13 45.700 0.100 A 32 GLY N N 15 108.531 0.100 A 33 GLY H H 1 8.394 0.010 A 33 GLY HAx H 1 4.116 0.010 A 33 GLY HAy H 1 4.116 0.010 A 33 GLY C C 13 175.402 0.100 A 33 GLY CA C 13 45.700 0.100 A 33 GLY N N 15 108.574 0.100 A 34 GLY H H 1 8.571 0.010 A 34 GLY HAx H 1 4.103 0.010 A 34 GLY HAy H 1 4.103 0.010 A 34 GLY C C 13 175.451 0.100 A 34 GLY CA C 13 46.927 0.161 A 34 GLY N N 15 109.145 0.100 A 35 GLY H H 1 8.613 0.010 A 35 GLY HAx H 1 4.103 0.010 A 35 GLY HAy H 1 4.103 0.010 A 35 GLY C C 13 176.132 0.100 A 35 GLY CA C 13 46.927 0.161 A 35 GLY N N 15 109.213 0.100 A 36 GLU H H 1 8.244 0.010 A 36 GLU HA H 1 4.241 0.019 A 36 GLU HBx H 1 2.179 0.014 A 36 GLU HBy H 1 2.179 0.014 A 36 GLU HGx H 1 2.500 0.010 A 36 GLU HGy H 1 2.500 0.010 A 36 GLU C C 13 177.830 0.100 A 36 GLU CA C 13 58.677 0.183 A 36 GLU CB C 13 28.400 0.100 A 36 GLU CG C 13 34.201 0.100 A 36 GLU N N 15 121.476 0.100 A 37 LEU H H 1 8.094 0.010 A 37 LEU HA H 1 4.151 0.013 A 37 LEU HBx H 1 1.771 0.021 A 37 LEU HBy H 1 1.771 0.021 A 37 LEU HDx% H 1 0.919 0.010 A 37 LEU HDy% H 1 0.919 0.010 A 37 LEU C C 13 178.996 0.100 A 37 LEU CA C 13 58.427 0.100 A 37 LEU CB C 13 42.022 0.340 A 37 LEU CDx C 13 21.071 0.100 A 37 LEU N N 15 119.885 0.100 A 38 MET H H 1 8.295 0.010 A 38 MET HA H 1 4.122 0.037 A 38 MET HBx H 1 1.991 0.010 A 38 MET HBy H 1 1.991 0.010 A 38 MET HE% H 1 2.171 0.010 A 38 MET HGx H 1 2.667 0.010 A 38 MET HGy H 1 2.667 0.010 A 38 MET C C 13 178.187 0.100 A 38 MET CA C 13 59.645 0.100 A 38 MET CB C 13 32.650 0.100 A 38 MET CE C 13 13.018 0.100 A 38 MET N N 15 118.587 0.100 A 39 LYS H H 1 7.827 0.010 A 39 LYS HA H 1 4.073 0.010 A 39 LYS HBx H 1 1.727 0.010 A 39 LYS HBy H 1 1.727 0.010 A 39 LYS HDx H 1 1.738 0.013 A 39 LYS HDy H 1 1.738 0.013 A 39 LYS HEx H 1 3.043 0.010 A 39 LYS HEy H 1 3.043 0.010 A 39 LYS HGx H 1 1.477 0.010 A 39 LYS HGy H 1 1.477 0.010 A 39 LYS CA C 13 59.910 0.100 A 39 LYS CB C 13 32.820 0.247 A 39 LYS CD C 13 31.210 0.100 A 39 LYS CE C 13 42.242 0.100 A 39 LYS CG C 13 20.793 0.100 A 39 LYS N N 15 119.400 0.100 A 40 LEU H H 1 8.144 0.010 A 40 LEU HA H 1 4.226 0.014 A 40 LEU HBx H 1 1.695 0.032 A 40 LEU HBy H 1 1.695 0.032 A 40 LEU HDx% H 1 0.922 0.010 A 40 LEU HDy% H 1 0.922 0.010 A 40 LEU C C 13 180.100 0.100 A 40 LEU CA C 13 57.717 0.100 A 40 LEU CB C 13 42.334 0.274 A 40 LEU N N 15 119.996 0.100 A 41 CYS H H 1 8.490 0.010 A 41 CYS HA H 1 4.013 0.027 A 41 CYS HBy H 1 3.226 0.010 A 41 CYS HBx H 1 2.800 0.010 A 41 CYS C C 13 178.200 0.100 A 41 CYS CA C 13 65.200 0.100 A 41 CYS CB C 13 27.050 0.100 A 41 CYS N N 15 117.460 0.100 A 42 GLU H H 1 8.152 0.010 A 42 GLU HA H 1 4.111 0.011 A 42 GLU HBx H 1 2.167 0.087 A 42 GLU HBy H 1 2.167 0.087 A 42 GLU HGx H 1 2.300 0.010 A 42 GLU HGy H 1 2.300 0.010 A 42 GLU C C 13 177.888 0.100 A 42 GLU CA C 13 58.620 0.100 A 42 GLU CB C 13 28.460 0.100 A 42 GLU N N 15 119.950 0.144 A 43 GLU H H 1 8.440 0.010 A 43 GLU HA H 1 4.095 0.015 A 43 GLU HBx H 1 1.577 0.036 A 43 GLU HBy H 1 1.577 0.036 A 43 GLU HGx H 1 2.303 0.010 A 43 GLU HGy H 1 2.303 0.010 A 43 GLU CA C 13 59.047 0.100 A 43 GLU CB C 13 28.460 0.100 A 43 GLU N N 15 120.900 0.100 A 44 ALA H H 1 8.449 0.010 A 44 ALA HA H 1 4.187 0.011 A 44 ALA HB% H 1 1.577 0.010 A 44 ALA C C 13 178.200 0.100 A 44 ALA CA C 13 55.603 0.100 A 44 ALA CB C 13 17.927 0.100 A 44 ALA N N 15 121.058 0.100 A 45 ALA H H 1 8.104 0.010 A 45 ALA HA H 1 4.107 0.036 A 45 ALA HB% H 1 1.498 0.025 A 45 ALA C C 13 178.700 0.100 A 45 ALA CA C 13 55.826 0.100 A 45 ALA CB C 13 18.290 0.100 A 45 ALA N N 15 119.820 0.151 A 46 LYS H H 1 7.780 0.010 A 46 LYS HA H 1 4.322 0.014 A 46 LYS HBx H 1 1.829 0.067 A 46 LYS HBy H 1 1.829 0.067 A 46 LYS HDx H 1 1.732 0.010 A 46 LYS HDy H 1 1.732 0.010 A 46 LYS HEx H 1 3.014 0.010 A 46 LYS HEy H 1 3.014 0.010 A 46 LYS HGx H 1 1.421 0.010 A 46 LYS HGy H 1 1.421 0.010 A 46 LYS C C 13 177.600 0.100 A 46 LYS CA C 13 55.500 0.167 A 46 LYS CB C 13 32.807 0.100 A 46 LYS N N 15 118.770 0.100 A 47 LYS H H 1 8.161 0.010 A 47 LYS HA H 1 4.342 0.024 A 47 LYS HBx H 1 1.907 0.011 A 47 LYS HBy H 1 1.907 0.011 A 47 LYS HDx H 1 1.610 0.010 A 47 LYS HDy H 1 1.610 0.010 A 47 LYS HEx H 1 3.028 0.010 A 47 LYS HEy H 1 3.028 0.010 A 47 LYS HGx H 1 1.465 0.010 A 47 LYS HGy H 1 1.465 0.010 A 47 LYS C C 13 178.700 0.100 A 47 LYS CA C 13 59.834 0.100 A 47 LYS CB C 13 32.682 0.100 A 47 LYS CE C 13 38.208 0.100 A 47 LYS N N 15 119.397 0.100 A 48 ALA H H 1 8.215 0.010 A 48 ALA HA H 1 3.901 0.020 A 48 ALA HB% H 1 1.433 0.020 A 48 ALA C C 13 178.734 0.100 A 48 ALA CA C 13 55.702 0.214 A 48 ALA CB C 13 17.823 0.193 A 48 ALA N N 15 118.901 0.121 A 49 GLU H H 1 8.212 0.015 A 49 GLU HA H 1 4.173 0.012 A 49 GLU HBx H 1 2.227 0.030 A 49 GLU HBy H 1 2.227 0.030 A 49 GLU HGx H 1 2.668 0.010 A 49 GLU HGy H 1 2.668 0.010 A 49 GLU C C 13 178.406 0.100 A 49 GLU CA C 13 58.641 0.100 A 49 GLU CB C 13 28.981 0.100 A 49 GLU CG C 13 33.236 0.100 A 49 GLU N N 15 118.810 0.100 A 50 GLU H H 1 7.939 0.010 A 50 GLU HA H 1 4.070 0.010 A 50 GLU HBx H 1 2.141 0.019 A 50 GLU HBy H 1 2.141 0.019 A 50 GLU HGx H 1 2.400 0.081 A 50 GLU HGy H 1 2.400 0.081 A 50 GLU CA C 13 58.689 0.100 A 50 GLU CB C 13 28.376 0.100 A 50 GLU CG C 13 32.761 0.100 A 50 GLU N N 15 118.769 0.100 A 51 LEU H H 1 8.145 0.010 A 51 LEU HA H 1 4.174 0.010 A 51 LEU HBx H 1 1.789 0.091 A 51 LEU HBy H 1 1.789 0.091 A 51 LEU HDx% H 1 0.797 0.010 A 51 LEU HDy% H 1 0.797 0.010 A 51 LEU C C 13 177.072 0.100 A 51 LEU CA C 13 58.107 0.100 A 51 LEU CB C 13 42.299 0.100 A 51 LEU N N 15 119.881 0.100 A 52 PHE H H 1 8.063 0.010 A 52 PHE HA H 1 4.330 0.010 A 52 PHE HBy H 1 3.265 0.010 A 52 PHE HBx H 1 3.246 0.010 A 52 PHE C C 13 178.950 0.100 A 52 PHE CA C 13 61.568 0.100 A 52 PHE CB C 13 38.945 0.100 A 52 PHE N N 15 120.572 0.100 A 53 LYS H H 1 8.091 0.010 A 53 LYS HA H 1 4.177 0.090 A 53 LYS HBx H 1 1.743 0.010 A 53 LYS HBy H 1 1.743 0.010 A 53 LYS HDx H 1 1.738 0.010 A 53 LYS HDy H 1 1.738 0.010 A 53 LYS HEx H 1 3.043 0.010 A 53 LYS HEy H 1 3.043 0.010 A 53 LYS HGx H 1 1.483 0.010 A 53 LYS HGy H 1 1.483 0.010 A 53 LYS C C 13 178.240 0.100 A 53 LYS CA C 13 58.064 0.100 A 53 LYS CB C 13 35.690 0.127 A 53 LYS CE C 13 42.242 0.100 A 53 LYS CG C 13 20.793 0.100 A 53 LYS N N 15 120.541 0.100 A 54 LEU H H 1 7.965 0.010 A 54 LEU HA H 1 4.178 0.021 A 54 LEU HBx H 1 1.666 0.056 A 54 LEU HBy H 1 1.666 0.056 A 54 LEU HDx% H 1 0.551 0.010 A 54 LEU HDy% H 1 0.551 0.010 A 54 LEU C C 13 179.441 0.100 A 54 LEU CA C 13 58.160 0.100 A 54 LEU CB C 13 42.318 0.100 A 54 LEU N N 15 120.690 0.100 A 55 ALA H H 1 8.456 0.010 A 55 ALA HA H 1 3.965 0.010 A 55 ALA HB% H 1 1.492 0.010 A 55 ALA C C 13 179.123 0.100 A 55 ALA CA C 13 55.646 0.110 A 55 ALA CB C 13 18.390 0.100 A 55 ALA N N 15 121.223 0.100 A 56 GLU H H 1 8.379 0.010 A 56 GLU HA H 1 4.061 0.010 A 56 GLU HBx H 1 2.184 0.010 A 56 GLU HBy H 1 2.184 0.010 A 56 GLU HGx H 1 2.395 0.010 A 56 GLU HGy H 1 2.395 0.010 A 56 GLU C C 13 178.452 0.100 A 56 GLU CA C 13 59.480 0.167 A 56 GLU CB C 13 28.734 0.111 A 56 GLU N N 15 116.593 0.100 A 57 GLU H H 1 7.927 0.010 A 57 GLU HA H 1 4.033 0.077 A 57 GLU HBx H 1 2.305 0.010 A 57 GLU HBy H 1 2.305 0.010 A 57 GLU HGx H 1 2.294 0.010 A 57 GLU HGy H 1 2.294 0.010 A 57 GLU C C 13 178.895 0.100 A 57 GLU CA C 13 58.862 0.100 A 57 GLU CB C 13 28.621 0.205 A 57 GLU N N 15 117.483 0.100 A 58 ARG H H 1 7.960 0.010 A 58 ARG HA H 1 4.184 0.176 A 58 ARG HBy H 1 1.954 0.010 A 58 ARG HBx H 1 1.726 0.010 A 58 ARG HDx H 1 3.302 0.012 A 58 ARG HDy H 1 3.302 0.012 A 58 ARG HGx H 1 1.724 0.024 A 58 ARG HGy H 1 1.724 0.024 A 58 ARG C C 13 177.091 0.100 A 58 ARG CA C 13 57.594 0.118 A 58 ARG CB C 13 29.583 0.479 A 58 ARG CD C 13 43.640 0.100 A 58 ARG CG C 13 28.031 0.100 A 58 ARG N N 15 118.019 0.100 A 59 LEU H H 1 8.298 0.010 A 59 LEU HA H 1 4.391 0.010 A 59 LEU HBx H 1 1.636 0.010 A 59 LEU HBy H 1 1.636 0.010 A 59 LEU HDx% H 1 0.925 0.010 A 59 LEU HDy% H 1 0.925 0.010 A 59 LEU C C 13 178.300 0.100 A 59 LEU CA C 13 57.007 0.100 A 59 LEU CB C 13 42.553 0.100 A 59 LEU N N 15 123.186 0.102 A 60 LYS H H 1 7.668 0.010 A 60 LYS HA H 1 4.251 0.010 A 60 LYS HBx H 1 1.877 0.015 A 60 LYS HBy H 1 1.877 0.015 A 60 LYS HEx H 1 3.039 0.010 A 60 LYS HEy H 1 3.039 0.010 A 60 LYS HGx H 1 1.458 0.010 A 60 LYS HGy H 1 1.458 0.010 A 60 LYS C C 13 176.804 0.100 A 60 LYS CA C 13 56.260 0.100 A 60 LYS CB C 13 33.130 0.153 A 60 LYS CE C 13 38.208 0.100 A 60 LYS N N 15 118.700 0.100 A 61 LYS H H 1 7.637 0.010 A 61 LYS HA H 1 4.435 0.010 A 61 LYS HBx H 1 1.870 0.010 A 61 LYS HBy H 1 2.042 0.010 A 61 LYS HDx H 1 1.562 0.048 A 61 LYS HDy H 1 1.562 0.048 A 61 LYS HEx H 1 3.054 0.010 A 61 LYS HEy H 1 3.054 0.010 A 61 LYS HGx H 1 1.271 0.010 A 61 LYS HGy H 1 1.271 0.010 A 61 LYS C C 13 176.025 0.100 A 61 LYS CA C 13 56.236 0.100 A 61 LYS CB C 13 33.154 0.100 A 61 LYS CD C 13 31.712 0.100 A 61 LYS CE C 13 42.265 0.100 A 61 LYS CG C 13 25.000 0.100 A 61 LYS N N 15 118.795 0.100 A 62 LEU H H 1 7.669 0.010 A 62 LEU HA H 1 4.348 0.014 A 62 LEU HBx H 1 1.754 0.010 A 62 LEU HBy H 1 1.754 0.010 A 62 LEU HDx% H 1 0.947 0.010 A 62 LEU HDy% H 1 0.947 0.010 A 62 LEU HG H 1 1.618 0.010 A 62 LEU CA C 13 55.820 0.220 A 62 LEU CB C 13 42.980 0.100 A 62 LEU CDx C 13 24.620 0.100 A 62 LEU N N 15 125.618 0.100 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 10 LYS H A 10 LYS HA 1.0 . 3.50 2 2 A 10 LYS H A 10 LYS HBx 1.0 . 3.42 3 2 A 10 LYS H A 10 LYS HBy 1.0 . 3.42 4 3 A 10 LYS H A 10 LYS HDx 1.0 . 4.13 5 3 A 10 LYS H A 10 LYS HDy 1.0 . 4.13 6 4 A 10 LYS HBx A 10 LYS HEx 1.0 . 4.24 7 4 A 10 LYS HBy A 10 LYS HEx 1.0 . 4.24 8 4 A 10 LYS HEy A 10 LYS HBx 1.0 . 4.24 9 4 A 10 LYS HBy A 10 LYS HEy 1.0 . 4.24 10 5 A 11 LEU H A 11 LEU HA 1.0 . 3.50 11 6 A 11 LEU H A 11 LEU HBx 1.0 . 3.71 12 6 A 11 LEU H A 11 LEU HBy 1.0 . 3.71 13 7 A 11 LEU H A 11 LEU HDx% 1.0 . 4.21 14 7 A 11 LEU H A 11 LEU HDy% 1.0 . 4.21 15 8 A 11 LEU H A 11 LEU HDx% 1.0 . 4.30 16 8 A 11 LEU H A 11 LEU HDy% 1.0 . 4.30 17 9 A 11 LEU HA A 11 LEU HBx 1.0 . 2.95 18 9 A 11 LEU HA A 11 LEU HBy 1.0 . 2.95 19 10 A 11 LEU HA A 11 LEU HDx% 1.0 . 2.91 20 10 A 11 LEU HA A 11 LEU HDy% 1.0 . 2.91 21 11 A 11 LEU HBx A 11 LEU HDx% 1.0 . 3.59 22 11 A 11 LEU HBy A 11 LEU HDx% 1.0 . 3.59 23 11 A 11 LEU HDy% A 11 LEU HBx 1.0 . 3.59 24 11 A 11 LEU HBy A 11 LEU HDy% 1.0 . 3.59 25 12 A 12 PHE H A 12 PHE HA 1.0 . 3.50 26 13 A 13 GLU H A 13 GLU HBx 1.0 . 3.74 27 13 A 13 GLU H A 13 GLU HBy 1.0 . 3.74 28 14 A 14 GLU H A 14 GLU HBx 1.0 . 3.36 29 14 A 14 GLU H A 14 GLU HBy 1.0 . 3.36 30 15 A 14 GLU H A 14 GLU HGx 1.0 . 4.09 31 15 A 14 GLU H A 14 GLU HGy 1.0 . 4.09 32 16 A 14 GLU HA A 14 GLU HGx 1.0 . 3.29 33 16 A 14 GLU HGy A 14 GLU HA 1.0 . 3.29 34 17 A 16 LYS H A 16 LYS HA 1.0 . 3.50 35 18 A 16 LYS H A 16 LYS HBx 1.0 . 3.60 36 18 A 16 LYS H A 16 LYS HBy 1.0 . 3.60 37 19 A 16 LYS H A 16 LYS HDx 1.0 . 4.04 38 19 A 16 LYS H A 16 LYS HDy 1.0 . 4.04 39 20 A 16 LYS HBx A 16 LYS HDx 1.0 . 2.95 40 20 A 16 LYS HBy A 16 LYS HDx 1.0 . 2.95 41 20 A 16 LYS HDy A 16 LYS HBx 1.0 . 2.95 42 20 A 16 LYS HBy A 16 LYS HDy 1.0 . 2.95 43 21 A 16 LYS HBy A 16 LYS HEx 1.0 . 4.85 44 21 A 16 LYS HBx A 16 LYS HEx 1.0 . 4.85 45 21 A 16 LYS HEy A 16 LYS HBx 1.0 . 4.85 46 21 A 16 LYS HBy A 16 LYS HEy 1.0 . 4.85 47 22 A 16 LYS HDy A 16 LYS HEx 1.0 . 2.70 48 22 A 16 LYS HDx A 16 LYS HEx 1.0 . 2.70 49 22 A 16 LYS HEy A 16 LYS HDx 1.0 . 2.70 50 22 A 16 LYS HDy A 16 LYS HEy 1.0 . 2.70 51 23 A 17 LYS H A 17 LYS HA 1.0 . 3.50 52 24 A 17 LYS H A 17 LYS HBx 1.0 . 4.38 53 24 A 17 LYS H A 17 LYS HBy 1.0 . 4.38 54 25 A 19 ALA H A 19 ALA HA 1.0 . 3.50 55 26 A 19 ALA H A 19 ALA HB% 1.0 . 3.76 56 27 A 20 GLU H A 20 GLU HA 1.0 . 3.50 57 28 A 20 GLU H A 20 GLU HBx 1.0 . 3.75 58 28 A 20 GLU H A 20 GLU HBy 1.0 . 3.75 59 29 A 20 GLU H A 20 GLU HGx 1.0 . 4.66 60 29 A 20 GLU H A 20 GLU HGy 1.0 . 4.66 61 30 A 20 GLU HBx A 20 GLU HGx 1.0 . 2.89 62 30 A 20 GLU HBy A 20 GLU HGx 1.0 . 2.89 63 30 A 20 GLU HGy A 20 GLU HBx 1.0 . 2.89 64 30 A 20 GLU HBy A 20 GLU HGy 1.0 . 2.89 65 31 A 21 GLU H A 21 GLU HA 1.0 . 3.50 66 32 A 21 GLU H A 21 GLU HBx 1.0 . 3.96 67 32 A 21 GLU H A 21 GLU HBy 1.0 . 3.96 68 33 A 21 GLU H A 21 GLU HGx 1.0 . 4.51 69 33 A 21 GLU H A 21 GLU HGy 1.0 . 4.51 70 34 A 22 ALA H A 22 ALA HB% 1.0 . 3.95 71 35 A 23 ALA H A 23 ALA HA 1.0 . 3.50 72 36 A 23 ALA H A 23 ALA HB% 1.0 . 3.19 73 37 A 24 LYS H A 24 LYS HA 1.0 . 3.50 74 38 A 24 LYS H A 24 LYS HBx 1.0 . 3.70 75 38 A 24 LYS H A 24 LYS HBy 1.0 . 3.70 76 39 A 24 LYS H A 24 LYS HDx 1.0 . 4.74 77 39 A 24 LYS H A 24 LYS HDy 1.0 . 4.74 78 40 A 24 LYS H A 24 LYS HGx 1.0 . 4.34 79 40 A 24 LYS H A 24 LYS HGy 1.0 . 4.34 80 41 A 24 LYS HA A 24 LYS HBx 1.0 . 2.84 81 41 A 24 LYS HA A 24 LYS HBy 1.0 . 2.84 82 42 A 24 LYS HBx A 24 LYS HEx 1.0 . 4.05 83 42 A 24 LYS HBy A 24 LYS HEx 1.0 . 4.05 84 42 A 24 LYS HEy A 24 LYS HBx 1.0 . 4.05 85 42 A 24 LYS HBy A 24 LYS HEy 1.0 . 4.05 86 43 A 25 LEU H A 25 LEU HA 1.0 . 3.50 87 44 A 25 LEU H A 25 LEU HBx 1.0 . 3.89 88 44 A 25 LEU H A 25 LEU HBy 1.0 . 3.89 89 45 A 26 LEU H A 26 LEU HA 1.0 . 3.50 90 46 A 26 LEU H A 26 LEU HDx% 1.0 . 5.60 91 46 A 26 LEU H A 26 LEU HDy% 1.0 . 5.60 92 47 A 27 GLU H A 27 GLU HBx 1.0 . 3.60 93 47 A 27 GLU H A 27 GLU HBy 1.0 . 3.60 94 48 A 27 GLU H A 27 GLU HGx 1.0 . 3.90 95 48 A 27 GLU H A 27 GLU HGy 1.0 . 3.90 96 49 A 27 GLU HA A 27 GLU HGx 1.0 . 4.11 97 49 A 27 GLU HGy A 27 GLU HA 1.0 . 4.11 98 50 A 28 GLY H A 28 GLY HAx 1.0 . 4.38 99 50 A 28 GLY H A 28 GLY HAy 1.0 . 4.38 100 51 A 29 GLY H A 29 GLY HAx 1.0 . 4.38 101 51 A 29 GLY H A 29 GLY HAy 1.0 . 4.38 102 52 A 30 GLY H A 30 GLY HAx 1.0 . 4.38 103 52 A 30 GLY H A 30 GLY HAy 1.0 . 4.38 104 53 A 32 GLY H A 32 GLY HAx 1.0 . 2.81 105 53 A 32 GLY H A 32 GLY HAy 1.0 . 2.81 106 54 A 36 GLU H A 36 GLU HA 1.0 . 3.50 107 55 A 36 GLU H A 36 GLU HBx 1.0 . 3.45 108 55 A 36 GLU H A 36 GLU HBy 1.0 . 3.45 109 56 A 36 GLU H A 36 GLU HGx 1.0 . 4.23 110 56 A 36 GLU H A 36 GLU HGy 1.0 . 4.23 111 57 A 36 GLU HBx A 36 GLU HGx 1.0 . 2.51 112 57 A 36 GLU HBy A 36 GLU HGx 1.0 . 2.51 113 57 A 36 GLU HGy A 36 GLU HBx 1.0 . 2.51 114 57 A 36 GLU HBy A 36 GLU HGy 1.0 . 2.51 115 58 A 37 LEU H A 37 LEU HA 1.0 . 3.50 116 59 A 37 LEU H A 37 LEU HBx 1.0 . 3.49 117 59 A 37 LEU H A 37 LEU HBy 1.0 . 3.49 118 60 A 37 LEU H A 37 LEU HDy% 1.0 . 4.52 119 61 A 37 LEU H A 37 LEU HDy% 1.0 . 4.17 120 61 A 37 LEU H A 37 LEU HDx% 1.0 . 4.17 121 62 A 37 LEU HA A 37 LEU HDy% 1.0 . 3.08 122 62 A 37 LEU HA A 37 LEU HDx% 1.0 . 3.08 123 63 A 37 LEU HBx A 37 LEU HDy% 1.0 . 3.94 124 63 A 37 LEU HBy A 37 LEU HDy% 1.0 . 3.94 125 63 A 37 LEU HDx% A 37 LEU HBx 1.0 . 3.94 126 63 A 37 LEU HBy A 37 LEU HDx% 1.0 . 3.94 127 64 A 38 MET H A 38 MET HA 1.0 . 3.50 128 65 A 39 LYS H A 39 LYS HA 1.0 . 3.50 129 66 A 39 LYS H A 39 LYS HBx 1.0 . 3.77 130 66 A 39 LYS H A 39 LYS HBy 1.0 . 3.77 131 67 A 39 LYS H A 39 LYS HDx 1.0 . 4.15 132 67 A 39 LYS H A 39 LYS HDy 1.0 . 4.15 133 68 A 39 LYS H A 39 LYS HGx 1.0 . 4.38 134 68 A 39 LYS H A 39 LYS HGy 1.0 . 4.38 135 69 A 39 LYS HDx A 39 LYS HEx 1.0 . 2.85 136 69 A 39 LYS HDy A 39 LYS HEx 1.0 . 2.85 137 69 A 39 LYS HEy A 39 LYS HDx 1.0 . 2.85 138 69 A 39 LYS HDy A 39 LYS HEy 1.0 . 2.85 139 70 A 3 LYS H A 3 LYS HBx 1.0 . 3.18 140 70 A 3 LYS H A 3 LYS HBy 1.0 . 3.18 141 71 A 3 LYS H A 3 LYS HDx 1.0 . 3.99 142 71 A 3 LYS H A 3 LYS HDy 1.0 . 3.99 143 72 A 3 LYS H A 3 LYS HEx 1.0 . 4.12 144 72 A 3 LYS H A 3 LYS HEy 1.0 . 4.12 145 73 A 3 LYS HBx A 3 LYS HEx 1.0 . 4.27 146 73 A 3 LYS HBy A 3 LYS HEx 1.0 . 4.27 147 73 A 3 LYS HEy A 3 LYS HBx 1.0 . 4.27 148 73 A 3 LYS HBy A 3 LYS HEy 1.0 . 4.27 149 74 A 40 LEU H A 40 LEU HBx 1.0 . 4.06 150 74 A 40 LEU H A 40 LEU HBy 1.0 . 4.06 151 75 A 40 LEU H A 40 LEU HDx% 1.0 . 4.74 152 75 A 40 LEU H A 40 LEU HDy% 1.0 . 4.74 153 76 A 40 LEU HBx A 40 LEU HDx% 1.0 . 3.86 154 76 A 40 LEU HBy A 40 LEU HDx% 1.0 . 3.86 155 76 A 40 LEU HDy% A 40 LEU HBx 1.0 . 3.86 156 76 A 40 LEU HBy A 40 LEU HDy% 1.0 . 3.86 157 77 A 42 GLU H A 42 GLU HA 1.0 . 3.50 158 78 A 42 GLU H A 42 GLU HBx 1.0 . 3.84 159 78 A 42 GLU H A 42 GLU HBy 1.0 . 3.84 160 79 A 42 GLU H A 42 GLU HGx 1.0 . 4.46 161 79 A 42 GLU H A 42 GLU HGy 1.0 . 4.46 162 80 A 42 GLU HA A 42 GLU HBx 1.0 . 2.96 163 80 A 42 GLU HA A 42 GLU HBy 1.0 . 2.96 164 81 A 43 GLU H A 43 GLU HA 1.0 . 3.50 165 82 A 43 GLU H A 43 GLU HBx 1.0 . 4.20 166 82 A 43 GLU H A 43 GLU HBy 1.0 . 4.20 167 83 A 44 ALA H A 44 ALA HA 1.0 . 3.50 168 84 A 44 ALA H A 44 ALA HB% 1.0 . 4.11 169 85 A 45 ALA H A 45 ALA HB% 1.0 . 3.67 170 86 A 46 LYS H A 46 LYS HA 1.0 . 3.50 171 87 A 46 LYS H A 46 LYS HBx 1.0 . 4.05 172 87 A 46 LYS H A 46 LYS HBy 1.0 . 4.05 173 88 A 46 LYS H A 46 LYS HGx 1.0 . 4.38 174 88 A 46 LYS H A 46 LYS HGy 1.0 . 4.38 175 89 A 46 LYS HA A 46 LYS HDx 1.0 . 4.29 176 89 A 46 LYS HA A 46 LYS HDy 1.0 . 4.29 177 90 A 47 LYS H A 47 LYS HBx 1.0 . 3.75 178 90 A 47 LYS H A 47 LYS HBy 1.0 . 3.75 179 91 A 47 LYS H A 47 LYS HDx 1.0 . 4.29 180 91 A 47 LYS H A 47 LYS HDy 1.0 . 4.29 181 92 A 47 LYS HBx A 47 LYS HDx 1.0 . 3.50 182 92 A 47 LYS HBy A 47 LYS HDx 1.0 . 3.50 183 92 A 47 LYS HDy A 47 LYS HBx 1.0 . 3.50 184 92 A 47 LYS HBy A 47 LYS HDy 1.0 . 3.50 185 93 A 47 LYS HBx A 47 LYS HEx 1.0 . 4.60 186 93 A 47 LYS HBy A 47 LYS HEx 1.0 . 4.60 187 93 A 47 LYS HEy A 47 LYS HBx 1.0 . 4.60 188 93 A 47 LYS HBy A 47 LYS HEy 1.0 . 4.60 189 94 A 48 ALA H A 48 ALA HB% 1.0 . 4.07 190 95 A 49 GLU H A 49 GLU HBx 1.0 . 3.92 191 95 A 49 GLU H A 49 GLU HBy 1.0 . 3.92 192 96 A 49 GLU HBy A 49 GLU HGx 1.0 . 2.68 193 96 A 49 GLU HBx A 49 GLU HGx 1.0 . 2.68 194 96 A 49 GLU HGy A 49 GLU HBx 1.0 . 2.68 195 96 A 49 GLU HBy A 49 GLU HGy 1.0 . 2.68 196 97 A 4 LEU H A 4 LEU HG 1.0 . 3.74 197 98 A 4 LEU H A 4 LEU HBx 1.0 . 3.43 198 98 A 4 LEU H A 4 LEU HBy 1.0 . 3.43 199 99 A 4 LEU H A 4 LEU HBx 1.0 . 3.48 200 99 A 4 LEU H A 4 LEU HBy 1.0 . 3.48 201 100 A 4 LEU HBx A 4 LEU HDx% 1.0 . 2.75 202 100 A 4 LEU HBy A 4 LEU HDx% 1.0 . 2.75 203 100 A 4 LEU HDy% A 4 LEU HBx 1.0 . 2.75 204 100 A 4 LEU HBy A 4 LEU HDy% 1.0 . 2.75 205 101 A 50 GLU H A 50 GLU HA 1.0 . 3.50 206 102 A 50 GLU H A 50 GLU HBx 1.0 . 3.72 207 102 A 50 GLU H A 50 GLU HBy 1.0 . 3.72 208 103 A 50 GLU H A 50 GLU HGx 1.0 . 3.96 209 103 A 50 GLU H A 50 GLU HGy 1.0 . 3.96 210 104 A 50 GLU HBy A 50 GLU HGx 1.0 . 2.89 211 104 A 50 GLU HGy A 50 GLU HBx 1.0 . 2.89 212 104 A 50 GLU HBy A 50 GLU HGy 1.0 . 2.89 213 104 A 50 GLU HBx A 50 GLU HGx 1.0 . 2.89 214 105 A 51 LEU H A 51 LEU HA 1.0 . 3.50 215 106 A 51 LEU H A 51 LEU HBx 1.0 . 3.76 216 106 A 51 LEU H A 51 LEU HBy 1.0 . 3.76 217 107 A 51 LEU H A 51 LEU HDx% 1.0 . 4.01 218 107 A 51 LEU H A 51 LEU HDy% 1.0 . 4.01 219 108 A 53 LYS H A 53 LYS HA 1.0 . 3.50 220 109 A 53 LYS H A 53 LYS HBx 1.0 . 4.38 221 109 A 53 LYS H A 53 LYS HBy 1.0 . 4.38 222 110 A 53 LYS HDy A 53 LYS HEx 1.0 . 2.98 223 110 A 53 LYS HEy A 53 LYS HDx 1.0 . 2.98 224 110 A 53 LYS HDy A 53 LYS HEy 1.0 . 2.98 225 110 A 53 LYS HDx A 53 LYS HEx 1.0 . 2.98 226 111 A 54 LEU H A 54 LEU HA 1.0 . 3.50 227 112 A 54 LEU H A 54 LEU HBx 1.0 . 4.11 228 112 A 54 LEU H A 54 LEU HBy 1.0 . 4.11 229 113 A 55 ALA H A 55 ALA HA 1.0 . 3.50 230 114 A 55 ALA H A 55 ALA HB% 1.0 . 4.06 231 115 A 56 GLU H A 56 GLU HA 1.0 . 3.50 232 116 A 56 GLU H A 56 GLU HBx 1.0 . 4.04 233 116 A 56 GLU H A 56 GLU HBy 1.0 . 4.04 234 117 A 56 GLU H A 56 GLU HGx 1.0 . 4.89 235 117 A 56 GLU H A 56 GLU HGy 1.0 . 4.89 236 118 A 57 GLU H A 57 GLU HBx 1.0 . 3.58 237 118 A 57 GLU H A 57 GLU HBy 1.0 . 3.58 238 119 A 57 GLU HA A 57 GLU HBx 1.0 . 2.99 239 119 A 57 GLU HBy A 57 GLU HA 1.0 . 2.99 240 120 A 58 ARG H A 58 ARG HA 1.0 . 3.50 241 121 A 58 ARG H A 58 ARG HBx 1.0 . 3.99 242 122 A 58 ARG H A 58 ARG HBx 1.0 . 3.64 243 122 A 58 ARG H A 58 ARG HBy 1.0 . 3.64 244 123 A 58 ARG H A 58 ARG HBx 1.0 . 3.66 245 123 A 58 ARG H A 58 ARG HBy 1.0 . 3.66 246 124 A 58 ARG H A 58 ARG HGx 1.0 . 4.05 247 124 A 58 ARG H A 58 ARG HGy 1.0 . 4.05 248 125 A 58 ARG H A 58 ARG HGx 1.0 . 4.29 249 125 A 58 ARG H A 58 ARG HGy 1.0 . 4.29 250 126 A 58 ARG HA A 58 ARG HDx 1.0 . 4.47 251 126 A 58 ARG HA A 58 ARG HDy 1.0 . 4.47 252 127 A 58 ARG HA A 58 ARG HGx 1.0 . 3.15 253 127 A 58 ARG HA A 58 ARG HGy 1.0 . 3.15 254 128 A 58 ARG HA A 58 ARG HGx 1.0 . 3.69 255 128 A 58 ARG HA A 58 ARG HGy 1.0 . 3.69 256 129 A 58 ARG HBy A 58 ARG HDy 1.0 . 4.05 257 129 A 58 ARG HBy A 58 ARG HDx 1.0 . 4.05 258 130 A 58 ARG HDy A 58 ARG HBx 1.0 . 4.05 259 130 A 58 ARG HBx A 58 ARG HDx 1.0 . 4.05 260 131 A 58 ARG HBx A 58 ARG HDx 1.0 . 3.37 261 131 A 58 ARG HBy A 58 ARG HDx 1.0 . 3.37 262 131 A 58 ARG HDy A 58 ARG HBx 1.0 . 3.37 263 131 A 58 ARG HBy A 58 ARG HDy 1.0 . 3.37 264 132 A 58 ARG HBx A 58 ARG HDx 1.0 . 3.42 265 132 A 58 ARG HBy A 58 ARG HDx 1.0 . 3.42 266 132 A 58 ARG HDy A 58 ARG HBx 1.0 . 3.42 267 132 A 58 ARG HBy A 58 ARG HDy 1.0 . 3.42 268 133 A 59 LEU H A 59 LEU HA 1.0 . 3.50 269 134 A 59 LEU H A 59 LEU HBx 1.0 . 3.93 270 134 A 59 LEU H A 59 LEU HBy 1.0 . 3.93 271 135 A 59 LEU H A 59 LEU HDx% 1.0 . 5.60 272 135 A 59 LEU H A 59 LEU HDy% 1.0 . 5.60 273 136 A 59 LEU HBx A 59 LEU HDx% 1.0 . 3.77 274 136 A 59 LEU HBy A 59 LEU HDx% 1.0 . 3.77 275 136 A 59 LEU HDy% A 59 LEU HBx 1.0 . 3.77 276 136 A 59 LEU HBy A 59 LEU HDy% 1.0 . 3.77 277 137 A 5 ARG H A 5 ARG HBx 1.0 . 3.30 278 138 A 5 ARG H A 5 ARG HBy 1.0 . 3.23 279 138 A 5 ARG H A 5 ARG HBx 1.0 . 3.23 280 139 A 5 ARG H A 5 ARG HDx 1.0 . 4.43 281 139 A 5 ARG H A 5 ARG HDy 1.0 . 4.43 282 140 A 5 ARG HA A 5 ARG HDx 1.0 . 3.95 283 140 A 5 ARG HDy A 5 ARG HA 1.0 . 3.95 284 141 A 5 ARG HA A 5 ARG HDx 1.0 . 3.95 285 141 A 5 ARG HDy A 5 ARG HA 1.0 . 3.95 286 142 A 5 ARG HA A 5 ARG HGx 1.0 . 3.63 287 142 A 5 ARG HA A 5 ARG HGy 1.0 . 3.63 288 143 A 5 ARG HA A 5 ARG HGx 1.0 . 4.15 289 143 A 5 ARG HA A 5 ARG HGy 1.0 . 4.15 290 144 A 5 ARG HBx A 5 ARG HDy 1.0 . 3.82 291 144 A 5 ARG HBx A 5 ARG HDx 1.0 . 3.82 292 145 A 5 ARG HBx A 5 ARG HDy 1.0 . 3.99 293 145 A 5 ARG HBx A 5 ARG HDx 1.0 . 3.99 294 146 A 5 ARG HBy A 5 ARG HDx 1.0 . 3.63 295 146 A 5 ARG HBx A 5 ARG HDx 1.0 . 3.63 296 146 A 5 ARG HDy A 5 ARG HBy 1.0 . 3.63 297 146 A 5 ARG HBx A 5 ARG HDy 1.0 . 3.63 298 147 A 60 LYS H A 60 LYS HBx 1.0 . 3.44 299 147 A 60 LYS H A 60 LYS HBy 1.0 . 3.44 300 148 A 60 LYS HBx A 60 LYS HEx 1.0 . 4.51 301 148 A 60 LYS HBy A 60 LYS HEx 1.0 . 4.51 302 148 A 60 LYS HEy A 60 LYS HBx 1.0 . 4.51 303 148 A 60 LYS HBy A 60 LYS HEy 1.0 . 4.51 304 149 A 61 LYS H A 61 LYS HBx 1.0 . 3.97 305 150 A 61 LYS H A 61 LYS HBy 1.0 . 3.80 306 151 A 61 LYS H A 61 LYS HBy 1.0 . 3.63 307 151 A 61 LYS H A 61 LYS HBx 1.0 . 3.63 308 152 A 61 LYS H A 61 LYS HDx 1.0 . 4.56 309 152 A 61 LYS H A 61 LYS HDy 1.0 . 4.56 310 153 A 61 LYS HA A 61 LYS HDx 1.0 . 4.93 311 153 A 61 LYS HDy A 61 LYS HA 1.0 . 4.93 312 154 A 61 LYS HEy A 61 LYS HBy 1.0 . 4.73 313 154 A 61 LYS HBy A 61 LYS HEx 1.0 . 4.73 314 155 A 61 LYS HBx A 61 LYS HEx 1.0 . 4.54 315 155 A 61 LYS HBy A 61 LYS HEx 1.0 . 4.54 316 155 A 61 LYS HEy A 61 LYS HBy 1.0 . 4.54 317 155 A 61 LYS HBx A 61 LYS HEy 1.0 . 4.54 318 156 A 62 LEU H A 62 LEU HA 1.0 . 3.50 319 157 A 62 LEU H A 62 LEU HG 1.0 . 4.75 320 158 A 62 LEU H A 62 LEU HBx 1.0 . 3.94 321 158 A 62 LEU H A 62 LEU HBy 1.0 . 3.94 322 159 A 62 LEU HA A 62 LEU HDx% 1.0 . 3.71 323 159 A 62 LEU HA A 62 LEU HDy% 1.0 . 3.71 324 160 A 62 LEU HBx A 62 LEU HDx% 1.0 . 3.09 325 160 A 62 LEU HBy A 62 LEU HDx% 1.0 . 3.09 326 160 A 62 LEU HDy% A 62 LEU HBx 1.0 . 3.09 327 160 A 62 LEU HBy A 62 LEU HDy% 1.0 . 3.09 328 161 A 6 GLU H A 6 GLU HBx 1.0 . 3.73 329 161 A 6 GLU H A 6 GLU HBy 1.0 . 3.73 330 162 A 6 GLU HA A 6 GLU HGx 1.0 . 3.37 331 162 A 6 GLU HA A 6 GLU HGy 1.0 . 3.37 332 163 A 7 GLU H A 7 GLU HA 1.0 . 3.50 333 164 A 7 GLU H A 7 GLU HBx 1.0 . 3.91 334 164 A 7 GLU H A 7 GLU HBy 1.0 . 3.91 335 165 A 7 GLU H A 7 GLU HGx 1.0 . 4.33 336 165 A 7 GLU H A 7 GLU HGy 1.0 . 4.33 337 166 A 8 ALA H A 8 ALA HB% 1.0 . 3.78 338 167 A 9 ALA H A 9 ALA HA 1.0 . 3.50 339 168 A 9 ALA H A 9 ALA HB% 1.0 . 4.15 340 169 A 11 LEU H A 10 LYS HBx 1.0 . 4.38 341 169 A 10 LYS HBy A 11 LEU H 1.0 . 4.38 342 170 A 11 LEU H A 12 PHE H 1.0 . 3.50 343 171 A 11 LEU HA A 12 PHE H 1.0 . 3.50 344 172 A 13 GLU HA A 12 PHE HBx 1.0 . 4.31 345 173 A 13 GLU HA A 12 PHE HBx 1.0 . 4.22 346 173 A 13 GLU HA A 12 PHE HBy 1.0 . 4.22 347 174 A 13 GLU H A 14 GLU H 1.0 . 3.50 348 175 A 14 GLU H A 13 GLU HBx 1.0 . 4.13 349 175 A 13 GLU HBy A 14 GLU H 1.0 . 4.13 350 176 A 14 GLU HA A 13 GLU HGx 1.0 . 5.58 351 176 A 14 GLU HA A 13 GLU HGy 1.0 . 5.58 352 177 A 15 TRP HA A 14 GLU HBx 1.0 . 4.04 353 177 A 14 GLU HBy A 15 TRP HA 1.0 . 4.04 354 178 A 16 LYS H A 15 TRP HBy 1.0 . 4.03 355 179 A 16 LYS H A 15 TRP HBx 1.0 . 3.73 356 180 A 16 LYS H A 15 TRP HBx 1.0 . 3.67 357 180 A 16 LYS H A 15 TRP HBy 1.0 . 3.67 358 181 A 16 LYS H A 15 TRP HBx 1.0 . 4.38 359 181 A 16 LYS H A 15 TRP HBy 1.0 . 4.38 360 182 A 16 LYS H A 17 LYS H 1.0 . 3.61 361 183 A 17 LYS H A 16 LYS HBx 1.0 . 3.98 362 183 A 16 LYS HBy A 17 LYS H 1.0 . 3.98 363 184 A 18 LEU H A 17 LYS HBx 1.0 . 4.38 364 184 A 17 LYS HBy A 18 LEU H 1.0 . 4.38 365 185 A 19 ALA H A 18 LEU H 1.0 . 3.50 366 186 A 19 ALA H A 18 LEU HA 1.0 . 3.50 367 187 A 19 ALA H A 18 LEU HBx 1.0 . 4.40 368 187 A 19 ALA H A 18 LEU HBy 1.0 . 4.40 369 188 A 19 ALA HA A 18 LEU HBx 1.0 . 5.25 370 188 A 19 ALA HA A 18 LEU HBy 1.0 . 5.25 371 189 A 19 ALA H A 20 GLU H 1.0 . 3.42 372 190 A 19 ALA HB% A 20 GLU H 1.0 . 3.76 373 191 A 20 GLU H A 21 GLU H 1.0 . 4.23 374 192 A 21 GLU H A 20 GLU HBx 1.0 . 3.73 375 192 A 20 GLU HBy A 21 GLU H 1.0 . 3.73 376 193 A 21 GLU H A 20 GLU HGx 1.0 . 4.38 377 193 A 20 GLU HGy A 21 GLU H 1.0 . 4.38 378 194 A 21 GLU H A 22 ALA H 1.0 . 3.82 379 195 A 22 ALA H A 21 GLU HBx 1.0 . 4.29 380 195 A 21 GLU HBy A 22 ALA H 1.0 . 4.29 381 196 A 22 ALA H A 23 ALA H 1.0 . 4.25 382 197 A 23 ALA H A 22 ALA HA 1.0 . 3.50 383 198 A 22 ALA HB% A 23 ALA H 1.0 . 4.52 384 199 A 23 ALA H A 24 LYS H 1.0 . 3.91 385 200 A 23 ALA HA A 24 LYS H 1.0 . 3.50 386 201 A 23 ALA HB% A 24 LYS H 1.0 . 4.52 387 202 A 24 LYS H A 25 LEU H 1.0 . 3.56 388 203 A 24 LYS HA A 25 LEU H 1.0 . 3.50 389 204 A 25 LEU H A 24 LYS HBx 1.0 . 4.10 390 204 A 24 LYS HBy A 25 LEU H 1.0 . 4.10 391 205 A 25 LEU H A 24 LYS HDx 1.0 . 4.94 392 205 A 24 LYS HDy A 25 LEU H 1.0 . 4.94 393 206 A 25 LEU H A 24 LYS HGx 1.0 . 4.33 394 206 A 24 LYS HGy A 25 LEU H 1.0 . 4.33 395 207 A 25 LEU H A 26 LEU H 1.0 . 5.22 396 208 A 25 LEU HA A 26 LEU H 1.0 . 3.50 397 209 A 26 LEU H A 25 LEU HBx 1.0 . 4.38 398 209 A 25 LEU HBy A 26 LEU H 1.0 . 4.38 399 210 A 26 LEU H A 27 GLU H 1.0 . 4.09 400 211 A 27 GLU H A 26 LEU HBx 1.0 . 5.11 401 211 A 27 GLU H A 26 LEU HBy 1.0 . 5.11 402 212 A 27 GLU H A 28 GLY H 1.0 . 3.06 403 213 A 27 GLU HA A 28 GLY H 1.0 . 3.50 404 214 A 28 GLY H A 27 GLU HBx 1.0 . 4.21 405 214 A 27 GLU HBy A 28 GLY H 1.0 . 4.21 406 215 A 28 GLY H A 27 GLU HBx 1.0 . 4.21 407 215 A 27 GLU HBy A 28 GLY H 1.0 . 4.21 408 216 A 28 GLY H A 27 GLU HGx 1.0 . 4.88 409 216 A 27 GLU HGy A 28 GLY H 1.0 . 4.88 410 217 A 28 GLY H A 29 GLY H 1.0 . 3.71 411 218 A 28 GLY H A 29 GLY HAx 1.0 . 5.39 412 218 A 28 GLY H A 29 GLY HAy 1.0 . 5.39 413 219 A 29 GLY H A 28 GLY HAx 1.0 . 3.34 414 219 A 28 GLY HAy A 29 GLY H 1.0 . 3.34 415 220 A 30 GLY H A 29 GLY HAx 1.0 . 4.38 416 220 A 29 GLY HAy A 30 GLY H 1.0 . 4.38 417 221 A 3 LYS H A 2 LYS HBy 1.0 . 4.10 418 222 A 3 LYS H A 2 LYS HBx 1.0 . 4.10 419 223 A 3 LYS H A 2 LYS HBx 1.0 . 4.26 420 223 A 3 LYS H A 2 LYS HBy 1.0 . 4.26 421 224 A 31 GLY H A 30 GLY HAx 1.0 . 2.86 422 224 A 30 GLY HAy A 31 GLY H 1.0 . 2.86 423 225 A 32 GLY H A 31 GLY HAx 1.0 . 3.24 424 225 A 32 GLY H A 31 GLY HAy 1.0 . 3.24 425 226 A 33 GLY H A 32 GLY HAx 1.0 . 3.14 426 226 A 32 GLY HAy A 33 GLY H 1.0 . 3.14 427 227 A 36 GLU H A 35 GLY HAx 1.0 . 4.38 428 227 A 36 GLU H A 35 GLY HAy 1.0 . 4.38 429 228 A 36 GLU H A 37 LEU H 1.0 . 3.38 430 229 A 36 GLU HA A 37 LEU H 1.0 . 3.50 431 230 A 37 LEU H A 36 GLU HBx 1.0 . 3.92 432 230 A 36 GLU HBy A 37 LEU H 1.0 . 3.92 433 231 A 36 GLU HBx A 37 LEU HBx 1.0 . 4.95 434 231 A 37 LEU HBy A 36 GLU HBx 1.0 . 4.95 435 231 A 36 GLU HBy A 37 LEU HBy 1.0 . 4.95 436 231 A 36 GLU HBy A 37 LEU HBx 1.0 . 4.95 437 232 A 36 GLU HBx A 37 LEU HDy% 1.0 . 4.37 438 232 A 37 LEU HDx% A 36 GLU HBx 1.0 . 4.37 439 232 A 36 GLU HBy A 37 LEU HDx% 1.0 . 4.37 440 232 A 36 GLU HBy A 37 LEU HDy% 1.0 . 4.37 441 233 A 37 LEU H A 36 GLU HGx 1.0 . 3.78 442 233 A 36 GLU HGy A 37 LEU H 1.0 . 3.78 443 234 A 37 LEU HA A 36 GLU HGx 1.0 . 3.51 444 234 A 36 GLU HGy A 37 LEU HA 1.0 . 3.51 445 235 A 37 LEU H A 38 MET H 1.0 . 3.24 446 236 A 37 LEU H A 38 MET HBx 1.0 . 5.21 447 236 A 37 LEU H A 38 MET HBy 1.0 . 5.21 448 237 A 37 LEU H A 38 MET HBx 1.0 . 5.42 449 237 A 37 LEU H A 38 MET HBy 1.0 . 5.42 450 238 A 37 LEU HA A 38 MET H 1.0 . 3.50 451 239 A 38 MET H A 37 LEU HBx 1.0 . 4.20 452 239 A 37 LEU HBy A 38 MET H 1.0 . 4.20 453 240 A 38 MET H A 39 LYS H 1.0 . 3.50 454 241 A 38 MET HA A 39 LYS H 1.0 . 3.50 455 242 A 39 LYS H A 38 MET HBx 1.0 . 4.37 456 242 A 39 LYS H A 38 MET HBy 1.0 . 4.37 457 243 A 39 LYS H A 40 LEU H 1.0 . 4.15 458 244 A 40 LEU H A 39 LYS HGx 1.0 . 3.96 459 244 A 39 LYS HGy A 40 LEU H 1.0 . 3.96 460 245 A 3 LYS H A 4 LEU H 1.0 . 3.93 461 246 A 4 LEU H A 3 LYS HBx 1.0 . 3.83 462 246 A 3 LYS HBy A 4 LEU H 1.0 . 3.83 463 247 A 40 LEU H A 41 CYS H 1.0 . 4.35 464 248 A 41 CYS H A 40 LEU HBx 1.0 . 4.18 465 248 A 40 LEU HBy A 41 CYS H 1.0 . 4.18 466 249 A 42 GLU H A 41 CYS H 1.0 . 4.23 467 250 A 42 GLU H A 43 GLU H 1.0 . 4.14 468 251 A 43 GLU H A 42 GLU HBx 1.0 . 3.98 469 251 A 42 GLU HBy A 43 GLU H 1.0 . 3.98 470 252 A 43 GLU H A 44 ALA H 1.0 . 3.50 471 253 A 44 ALA H A 43 GLU HBx 1.0 . 4.38 472 253 A 43 GLU HBy A 44 ALA H 1.0 . 4.38 473 254 A 44 ALA H A 45 ALA H 1.0 . 4.34 474 255 A 44 ALA HB% A 45 ALA H 1.0 . 3.15 475 256 A 44 ALA HB% A 45 ALA HA 1.0 . 3.79 476 257 A 45 ALA H A 46 LYS H 1.0 . 4.45 477 258 A 46 LYS H A 45 ALA HA 1.0 . 3.50 478 259 A 46 LYS H A 47 LYS H 1.0 . 3.89 479 260 A 47 LYS H A 46 LYS HBx 1.0 . 4.38 480 260 A 46 LYS HBy A 47 LYS H 1.0 . 4.38 481 261 A 47 LYS H A 48 ALA H 1.0 . 3.50 482 262 A 48 ALA H A 47 LYS HBx 1.0 . 4.39 483 262 A 47 LYS HBy A 48 ALA H 1.0 . 4.39 484 263 A 48 ALA HA A 47 LYS HBx 1.0 . 4.09 485 263 A 47 LYS HBy A 48 ALA HA 1.0 . 4.09 486 264 A 48 ALA HB% A 49 GLU H 1.0 . 4.72 487 265 A 49 GLU H A 50 GLU H 1.0 . 3.95 488 266 A 50 GLU H A 49 GLU HA 1.0 . 3.50 489 267 A 50 GLU H A 49 GLU HBx 1.0 . 4.16 490 267 A 49 GLU HBy A 50 GLU H 1.0 . 4.16 491 268 A 50 GLU H A 49 GLU HGx 1.0 . 4.64 492 268 A 49 GLU HGy A 50 GLU H 1.0 . 4.64 493 269 A 4 LEU H A 5 ARG H 1.0 . 4.30 494 270 A 4 LEU HG A 5 ARG H 1.0 . 4.63 495 271 A 5 ARG H A 4 LEU HDx% 1.0 . 3.92 496 271 A 4 LEU HDy% A 5 ARG H 1.0 . 3.92 497 272 A 4 LEU HDy% A 5 ARG HBx 1.0 . 4.61 498 272 A 5 ARG HBx A 4 LEU HDx% 1.0 . 4.61 499 273 A 50 GLU H A 51 LEU H 1.0 . 3.71 500 274 A 50 GLU H A 51 LEU HBx 1.0 . 4.65 501 274 A 50 GLU H A 51 LEU HBy 1.0 . 4.65 502 275 A 50 GLU HA A 51 LEU H 1.0 . 3.50 503 276 A 51 LEU H A 50 GLU HBx 1.0 . 4.38 504 276 A 50 GLU HBy A 51 LEU H 1.0 . 4.38 505 277 A 51 LEU H A 50 GLU HGx 1.0 . 4.25 506 277 A 50 GLU HGy A 51 LEU H 1.0 . 4.25 507 278 A 51 LEU H A 50 GLU HGx 1.0 . 4.89 508 278 A 50 GLU HGy A 51 LEU H 1.0 . 4.89 509 279 A 53 LYS H A 52 PHE HA 1.0 . 3.50 510 280 A 53 LYS H A 52 PHE HBy 1.0 . 3.50 511 281 A 53 LYS H A 54 LEU H 1.0 . 4.02 512 282 A 54 LEU H A 53 LYS HBx 1.0 . 4.11 513 282 A 53 LYS HBy A 54 LEU H 1.0 . 4.11 514 283 A 54 LEU H A 55 ALA H 1.0 . 3.37 515 284 A 55 ALA H A 56 GLU H 1.0 . 3.65 516 285 A 55 ALA HA A 56 GLU H 1.0 . 3.50 517 286 A 55 ALA HB% A 56 GLU H 1.0 . 4.21 518 287 A 56 GLU H A 57 GLU H 1.0 . 3.55 519 288 A 57 GLU H A 56 GLU HBx 1.0 . 3.28 520 288 A 56 GLU HBy A 57 GLU H 1.0 . 3.28 521 289 A 57 GLU H A 58 ARG H 1.0 . 3.78 522 290 A 58 ARG H A 57 GLU HBx 1.0 . 4.01 523 290 A 57 GLU HBy A 58 ARG H 1.0 . 4.01 524 291 A 58 ARG H A 59 LEU H 1.0 . 3.45 525 292 A 58 ARG H A 59 LEU H 1.0 . 3.50 526 293 A 58 ARG HA A 59 LEU H 1.0 . 3.50 527 294 A 58 ARG HBy A 59 LEU H 1.0 . 4.31 528 295 A 59 LEU H A 58 ARG HBx 1.0 . 3.88 529 295 A 58 ARG HBy A 59 LEU H 1.0 . 3.88 530 296 A 59 LEU H A 58 ARG HGx 1.0 . 4.51 531 296 A 58 ARG HGy A 59 LEU H 1.0 . 4.51 532 297 A 59 LEU H A 58 ARG HGx 1.0 . 4.55 533 297 A 58 ARG HGy A 59 LEU H 1.0 . 4.55 534 298 A 60 LYS H A 59 LEU HBx 1.0 . 3.86 535 298 A 59 LEU HBy A 60 LYS H 1.0 . 3.86 536 299 A 6 GLU H A 5 ARG HBy 1.0 . 3.80 537 299 A 5 ARG HBx A 6 GLU H 1.0 . 3.80 538 300 A 6 GLU H A 5 ARG HBy 1.0 . 4.38 539 300 A 5 ARG HBx A 6 GLU H 1.0 . 4.38 540 301 A 61 LYS H A 60 LYS HA 1.0 . 3.54 541 302 A 61 LYS H A 60 LYS HBx 1.0 . 4.67 542 302 A 60 LYS HBy A 61 LYS H 1.0 . 4.67 543 303 A 6 GLU H A 7 GLU H 1.0 . 3.60 544 304 A 7 GLU H A 6 GLU HBx 1.0 . 4.28 545 304 A 6 GLU HBy A 7 GLU H 1.0 . 4.28 546 305 A 8 ALA H A 7 GLU HBx 1.0 . 4.25 547 305 A 7 GLU HBy A 8 ALA H 1.0 . 4.25 548 306 A 8 ALA H A 9 ALA H 1.0 . 3.62 549 307 A 8 ALA HB% A 9 ALA H 1.0 . 3.89 550 308 A 10 LYS H A 9 ALA H 1.0 . 4.13 551 309 A 10 LYS H A 9 ALA HB% 1.0 . 4.00 552 310 A 11 LEU HA A 13 GLU H 1.0 . 4.40 553 311 A 15 TRP H A 13 GLU HBx 1.0 . 6.19 554 311 A 13 GLU HBy A 15 TRP H 1.0 . 6.19 555 312 A 14 GLU H A 16 LYS H 1.0 . 4.51 556 313 A 17 LYS H A 15 TRP HA 1.0 . 4.30 557 314 A 17 LYS H A 15 TRP HA 1.0 . 4.57 558 315 A 17 LYS H A 19 ALA H 1.0 . 4.35 559 316 A 19 ALA H A 17 LYS HBx 1.0 . 5.06 560 316 A 17 LYS HBy A 19 ALA H 1.0 . 5.06 561 317 A 20 GLU H A 18 LEU H 1.0 . 4.43 562 318 A 20 GLU H A 18 LEU HA 1.0 . 4.37 563 319 A 19 ALA H A 21 GLU H 1.0 . 4.25 564 320 A 19 ALA HA A 21 GLU H 1.0 . 4.68 565 321 A 21 GLU HA A 23 ALA H 1.0 . 4.22 566 322 A 23 ALA HA A 25 LEU H 1.0 . 4.87 567 323 A 23 ALA HB% A 25 LEU H 1.0 . 5.50 568 324 A 24 LYS H A 26 LEU H 1.0 . 4.61 569 325 A 25 LEU H A 27 GLU HGx 1.0 . 5.88 570 325 A 25 LEU H A 27 GLU HGy 1.0 . 5.88 571 326 A 30 GLY H A 28 GLY HAx 1.0 . 4.24 572 326 A 28 GLY HAy A 30 GLY H 1.0 . 4.24 573 327 A 4 LEU H A 2 LYS HA 1.0 . 4.18 574 328 A 36 GLU HA A 38 MET H 1.0 . 4.57 575 329 A 38 MET H A 36 GLU HGx 1.0 . 4.82 576 329 A 36 GLU HGy A 38 MET H 1.0 . 4.82 577 330 A 39 LYS H A 37 LEU HBx 1.0 . 5.05 578 330 A 37 LEU HBy A 39 LYS H 1.0 . 5.05 579 331 A 3 LYS H A 5 ARG H 1.0 . 4.94 580 332 A 3 LYS H A 5 ARG HBx 1.0 . 5.50 581 333 A 44 ALA HA A 46 LYS H 1.0 . 4.20 582 334 A 44 ALA HB% A 46 LYS H 1.0 . 5.50 583 335 A 46 LYS H A 48 ALA H 1.0 . 4.39 584 336 A 48 ALA H A 46 LYS HBx 1.0 . 4.92 585 336 A 46 LYS HBy A 48 ALA H 1.0 . 4.92 586 337 A 50 GLU H A 48 ALA HA 1.0 . 4.82 587 338 A 51 LEU H A 49 GLU HBx 1.0 . 5.50 588 338 A 49 GLU HBy A 51 LEU H 1.0 . 5.50 589 339 A 54 LEU H A 56 GLU H 1.0 . 4.09 590 340 A 56 GLU H A 58 ARG H 1.0 . 3.85 591 341 A 58 ARG H A 60 LYS H 1.0 . 3.92 592 342 A 58 ARG H A 60 LYS H 1.0 . 4.02 593 343 A 58 ARG HA A 60 LYS H 1.0 . 4.50 594 344 A 58 ARG HBy A 60 LYS H 1.0 . 4.83 595 345 A 5 ARG HA A 7 GLU H 1.0 . 4.46 596 346 A 10 LYS H A 8 ALA H 1.0 . 4.19 597 347 A 9 ALA H A 11 LEU HBx 1.0 . 5.21 598 347 A 11 LEU HBy A 9 ALA H 1.0 . 5.21 599 348 A 11 LEU HA A 14 GLU H 1.0 . 3.40 600 349 A 11 LEU HDx% A 14 GLU HBx 1.0 . 5.93 601 349 A 11 LEU HDy% A 14 GLU HBx 1.0 . 5.93 602 349 A 14 GLU HBy A 11 LEU HDx% 1.0 . 5.93 603 349 A 11 LEU HDy% A 14 GLU HBy 1.0 . 5.93 604 350 A 16 LYS H A 13 GLU HA 1.0 . 3.50 605 351 A 15 TRP HA A 18 LEU H 1.0 . 4.04 606 352 A 21 GLU H A 18 LEU HA 1.0 . 3.50 607 353 A 19 ALA HA A 22 ALA H 1.0 . 3.50 608 354 A 19 ALA HB% A 22 ALA H 1.0 . 5.03 609 355 A 20 GLU HA A 23 ALA H 1.0 . 3.50 610 356 A 21 GLU HA A 24 LYS H 1.0 . 4.59 611 357 A 23 ALA HA A 26 LEU H 1.0 . 4.18 612 358 A 23 ALA HA A 26 LEU HBx 1.0 . 4.28 613 358 A 23 ALA HA A 26 LEU HBy 1.0 . 4.28 614 359 A 23 ALA HB% A 26 LEU H 1.0 . 5.50 615 360 A 24 LYS HA A 27 GLU H 1.0 . 3.50 616 361 A 27 GLU H A 24 LYS HBx 1.0 . 4.92 617 361 A 24 LYS HBy A 27 GLU H 1.0 . 4.92 618 362 A 25 LEU HA A 28 GLY H 1.0 . 3.50 619 363 A 38 MET H A 35 GLY HAx 1.0 . 4.38 620 363 A 38 MET H A 35 GLY HAy 1.0 . 4.38 621 364 A 36 GLU HGy A 39 LYS HDx 1.0 . 5.72 622 364 A 39 LYS HDy A 36 GLU HGx 1.0 . 5.72 623 364 A 36 GLU HGy A 39 LYS HDy 1.0 . 5.72 624 364 A 36 GLU HGx A 39 LYS HDx 1.0 . 5.72 625 365 A 37 LEU HA A 40 LEU H 1.0 . 3.50 626 366 A 39 LYS HA A 42 GLU H 1.0 . 3.50 627 367 A 44 ALA HB% A 41 CYS HA 1.0 . 4.44 628 368 A 45 ALA H A 42 GLU HGx 1.0 . 4.72 629 368 A 42 GLU HGy A 45 ALA H 1.0 . 4.72 630 369 A 45 ALA H A 42 GLU HGx 1.0 . 4.72 631 369 A 42 GLU HGy A 45 ALA H 1.0 . 4.72 632 370 A 43 GLU HA A 46 LYS H 1.0 . 3.50 633 371 A 44 ALA HA A 47 LYS H 1.0 . 4.63 634 372 A 44 ALA HA A 47 LYS HBx 1.0 . 5.04 635 372 A 44 ALA HA A 47 LYS HBy 1.0 . 5.04 636 373 A 48 ALA H A 45 ALA HA 1.0 . 3.50 637 374 A 46 LYS HA A 49 GLU H 1.0 . 3.50 638 375 A 50 GLU H A 47 LYS HA 1.0 . 3.50 639 376 A 51 LEU HA A 54 LEU H 1.0 . 3.40 640 377 A 55 ALA H A 52 PHE HA 1.0 . 3.50 641 378 A 54 LEU HA A 57 GLU H 1.0 . 4.36 642 379 A 55 ALA HA A 58 ARG H 1.0 . 3.50 643 380 A 5 ARG HA A 8 ALA H 1.0 . 4.19 644 381 A 11 LEU H A 8 ALA HA 1.0 . 3.50 645 382 A 8 ALA HA A 11 LEU HBx 1.0 . 4.21 646 382 A 11 LEU HBy A 8 ALA HA 1.0 . 4.21 647 383 A 19 ALA H A 15 TRP HA 1.0 . 4.49 648 384 A 22 ALA H A 18 LEU HA 1.0 . 5.00 649 385 A 22 ALA H A 18 LEU HBx 1.0 . 4.77 650 385 A 22 ALA H A 18 LEU HBy 1.0 . 4.77 651 386 A 19 ALA HA A 23 ALA H 1.0 . 4.64 652 387 A 22 ALA HB% A 26 LEU HDx% 1.0 . 4.88 653 387 A 22 ALA HB% A 26 LEU HDy% 1.0 . 4.88 654 388 A 23 ALA HA A 27 GLU H 1.0 . 4.43 655 389 A 23 ALA HA A 27 GLU H 1.0 . 4.65 656 390 A 36 GLU HBy A 40 LEU HDx% 1.0 . 5.58 657 390 A 36 GLU HBx A 40 LEU HDx% 1.0 . 5.58 658 390 A 40 LEU HDy% A 36 GLU HBx 1.0 . 5.58 659 390 A 36 GLU HBy A 40 LEU HDy% 1.0 . 5.58 660 391 A 40 LEU H A 36 GLU HGx 1.0 . 4.39 661 391 A 36 GLU HGy A 40 LEU H 1.0 . 4.39 662 392 A 36 GLU HGx A 40 LEU HDx% 1.0 . 3.68 663 392 A 36 GLU HGy A 40 LEU HDx% 1.0 . 3.68 664 392 A 40 LEU HDy% A 36 GLU HGx 1.0 . 3.68 665 392 A 36 GLU HGy A 40 LEU HDy% 1.0 . 3.68 666 393 A 20 GLU H A 45 ALA HB% 1.0 . 4.60 667 394 A 23 ALA HB% A 38 MET HBx 1.0 . 3.88 668 394 A 23 ALA HB% A 38 MET HBy 1.0 . 3.88 669 395 A 26 LEU HA A 37 LEU HDy% 1.0 . 5.10 670 395 A 26 LEU HA A 37 LEU HDx% 1.0 . 5.10 671 396 A 31 GLY H A 38 MET HE% 1.0 . 5.50 672 397 A 38 MET HE% A 31 GLY HAx 1.0 . 4.27 673 397 A 31 GLY HAy A 38 MET HE% 1.0 . 4.27 674 398 A 32 GLY H A 38 MET HE% 1.0 . 5.49 675 399 A 5 ARG HA A 59 LEU HBx 1.0 . 4.71 676 399 A 59 LEU HBy A 5 ARG HA 1.0 . 4.71 677 400 A 59 LEU HBy A 5 ARG HBx 1.0 . 4.92 678 400 A 5 ARG HBx A 59 LEU HBx 1.0 . 4.92 679 401 A 59 LEU HDy% A 5 ARG HBx 1.0 . 4.94 680 401 A 5 ARG HBx A 59 LEU HDx% 1.0 . 4.94 681 402 A 59 LEU HDy% A 5 ARG HBx 1.0 . 4.96 682 402 A 5 ARG HBx A 59 LEU HDx% 1.0 . 4.96 683 403 A 59 LEU HDy% A 5 ARG HBy 1.0 . 4.98 684 403 A 5 ARG HBy A 59 LEU HDx% 1.0 . 4.98 685 404 A 5 ARG HBx A 59 LEU HBx 1.0 . 3.98 686 404 A 5 ARG HBy A 59 LEU HBx 1.0 . 3.98 687 404 A 59 LEU HBy A 5 ARG HBy 1.0 . 3.98 688 404 A 59 LEU HBy A 5 ARG HBx 1.0 . 3.98 689 405 A 59 LEU HA A 5 ARG HGx 1.0 . 4.59 690 405 A 59 LEU HA A 5 ARG HGy 1.0 . 4.59 691 406 A 8 ALA HB% A 59 LEU HDx% 1.0 . 3.22 692 406 A 59 LEU HDy% A 8 ALA HB% 1.0 . 3.22 693 407 A 9 ALA H A 59 LEU HDx% 1.0 . 4.46 694 407 A 59 LEU HDy% A 9 ALA H 1.0 . 4.46 695 408 A 9 ALA HB% A 59 LEU HDx% 1.0 . 3.44 696 408 A 59 LEU HDy% A 9 ALA HB% 1.0 . 3.44 697 409 B 10 LYS H B 10 LYS HA 1.0 . 3.50 698 410 B 10 LYS H B 10 LYS HBx 1.0 . 3.42 699 410 B 10 LYS H B 10 LYS HBy 1.0 . 3.42 700 411 B 10 LYS H B 10 LYS HDx 1.0 . 4.13 701 411 B 10 LYS H B 10 LYS HDy 1.0 . 4.13 702 412 B 10 LYS HBy B 10 LYS HEx 1.0 . 4.24 703 412 B 10 LYS HBx B 10 LYS HEx 1.0 . 4.24 704 412 B 10 LYS HEy B 10 LYS HBx 1.0 . 4.24 705 412 B 10 LYS HBy B 10 LYS HEy 1.0 . 4.24 706 413 B 11 LEU H B 11 LEU HA 1.0 . 3.50 707 414 B 11 LEU H B 11 LEU HBx 1.0 . 3.71 708 414 B 11 LEU H B 11 LEU HBy 1.0 . 3.71 709 415 B 11 LEU H B 11 LEU HD11 1.0 . 4.21 710 415 B 11 LEU H B 11 LEU HD21 1.0 . 4.21 711 416 B 11 LEU H B 11 LEU HD11 1.0 . 4.30 712 416 B 11 LEU H B 11 LEU HD21 1.0 . 4.30 713 417 B 11 LEU HA B 11 LEU HBx 1.0 . 2.95 714 417 B 11 LEU HA B 11 LEU HBy 1.0 . 2.95 715 418 B 11 LEU HA B 11 LEU HD11 1.0 . 2.91 716 418 B 11 LEU HA B 11 LEU HD21 1.0 . 2.91 717 419 B 11 LEU HBx B 11 LEU HD11 1.0 . 3.59 718 419 B 11 LEU HBy B 11 LEU HD11 1.0 . 3.59 719 419 B 11 LEU HD21 B 11 LEU HBx 1.0 . 3.59 720 419 B 11 LEU HBy B 11 LEU HD21 1.0 . 3.59 721 420 B 12 PHE H B 12 PHE HA 1.0 . 3.50 722 421 B 13 GLU H B 13 GLU HBx 1.0 . 3.74 723 421 B 13 GLU H B 13 GLU HBy 1.0 . 3.74 724 422 B 14 GLU H B 14 GLU HBx 1.0 . 3.36 725 422 B 14 GLU H B 14 GLU HBy 1.0 . 3.36 726 423 B 14 GLU H B 14 GLU HGx 1.0 . 4.09 727 423 B 14 GLU H B 14 GLU HGy 1.0 . 4.09 728 424 B 14 GLU HA B 14 GLU HGx 1.0 . 3.29 729 424 B 14 GLU HGy B 14 GLU HA 1.0 . 3.29 730 425 B 16 LYS H B 16 LYS HA 1.0 . 3.50 731 426 B 16 LYS H B 16 LYS HBx 1.0 . 3.60 732 426 B 16 LYS H B 16 LYS HBy 1.0 . 3.60 733 427 B 16 LYS H B 16 LYS HDx 1.0 . 4.04 734 427 B 16 LYS H B 16 LYS HDy 1.0 . 4.04 735 428 B 16 LYS HBx B 16 LYS HDx 1.0 . 2.95 736 428 B 16 LYS HBy B 16 LYS HDx 1.0 . 2.95 737 428 B 16 LYS HDy B 16 LYS HBx 1.0 . 2.95 738 428 B 16 LYS HBy B 16 LYS HDy 1.0 . 2.95 739 429 B 16 LYS HBx B 16 LYS HEx 1.0 . 4.85 740 429 B 16 LYS HBy B 16 LYS HEx 1.0 . 4.85 741 429 B 16 LYS HEy B 16 LYS HBx 1.0 . 4.85 742 429 B 16 LYS HBy B 16 LYS HEy 1.0 . 4.85 743 430 B 16 LYS HDy B 16 LYS HEx 1.0 . 2.70 744 430 B 16 LYS HEy B 16 LYS HDx 1.0 . 2.70 745 430 B 16 LYS HDy B 16 LYS HEy 1.0 . 2.70 746 430 B 16 LYS HDx B 16 LYS HEx 1.0 . 2.70 747 431 B 17 LYS H B 17 LYS HA 1.0 . 3.50 748 432 B 17 LYS H B 17 LYS HBx 1.0 . 4.38 749 432 B 17 LYS H B 17 LYS HBy 1.0 . 4.38 750 433 B 19 ALA H B 19 ALA HA 1.0 . 3.50 751 434 B 19 ALA H B 19 ALA HB1 1.0 . 3.76 752 435 B 20 GLU H B 20 GLU HA 1.0 . 3.50 753 436 B 20 GLU H B 20 GLU HBx 1.0 . 3.75 754 436 B 20 GLU H B 20 GLU HBy 1.0 . 3.75 755 437 B 20 GLU H B 20 GLU HGx 1.0 . 4.66 756 437 B 20 GLU H B 20 GLU HGy 1.0 . 4.66 757 438 B 20 GLU HBy B 20 GLU HGx 1.0 . 2.89 758 438 B 20 GLU HGy B 20 GLU HBx 1.0 . 2.89 759 438 B 20 GLU HBy B 20 GLU HGy 1.0 . 2.89 760 438 B 20 GLU HBx B 20 GLU HGx 1.0 . 2.89 761 439 B 21 GLU H B 21 GLU HA 1.0 . 3.50 762 440 B 21 GLU H B 21 GLU HBx 1.0 . 3.96 763 440 B 21 GLU H B 21 GLU HBy 1.0 . 3.96 764 441 B 21 GLU H B 21 GLU HGx 1.0 . 4.51 765 441 B 21 GLU H B 21 GLU HGy 1.0 . 4.51 766 442 B 22 ALA H B 22 ALA HB1 1.0 . 3.95 767 443 B 23 ALA H B 23 ALA HA 1.0 . 3.50 768 444 B 23 ALA H B 23 ALA HB1 1.0 . 3.19 769 445 B 24 LYS H B 24 LYS HA 1.0 . 3.50 770 446 B 24 LYS H B 24 LYS HBx 1.0 . 3.70 771 446 B 24 LYS H B 24 LYS HBy 1.0 . 3.70 772 447 B 24 LYS H B 24 LYS HDx 1.0 . 4.74 773 447 B 24 LYS H B 24 LYS HDy 1.0 . 4.74 774 448 B 24 LYS H B 24 LYS HGx 1.0 . 4.34 775 448 B 24 LYS H B 24 LYS HGy 1.0 . 4.34 776 449 B 24 LYS HA B 24 LYS HBx 1.0 . 2.84 777 449 B 24 LYS HA B 24 LYS HBy 1.0 . 2.84 778 450 B 24 LYS HBy B 24 LYS HEx 1.0 . 4.05 779 450 B 24 LYS HBx B 24 LYS HEx 1.0 . 4.05 780 450 B 24 LYS HEy B 24 LYS HBx 1.0 . 4.05 781 450 B 24 LYS HBy B 24 LYS HEy 1.0 . 4.05 782 451 B 25 LEU H B 25 LEU HA 1.0 . 3.50 783 452 B 25 LEU H B 25 LEU HBx 1.0 . 3.89 784 452 B 25 LEU H B 25 LEU HBy 1.0 . 3.89 785 453 B 26 LEU H B 26 LEU HA 1.0 . 3.50 786 454 B 26 LEU H B 26 LEU HD11 1.0 . 5.60 787 454 B 26 LEU H B 26 LEU HD21 1.0 . 5.60 788 455 B 27 GLU H B 27 GLU HBx 1.0 . 3.60 789 455 B 27 GLU H B 27 GLU HBy 1.0 . 3.60 790 456 B 27 GLU H B 27 GLU HGx 1.0 . 3.90 791 456 B 27 GLU H B 27 GLU HGy 1.0 . 3.90 792 457 B 27 GLU HA B 27 GLU HGx 1.0 . 4.11 793 457 B 27 GLU HGy B 27 GLU HA 1.0 . 4.11 794 458 B 28 GLY H B 28 GLY HAx 1.0 . 4.38 795 458 B 28 GLY H B 28 GLY HAy 1.0 . 4.38 796 459 B 29 GLY H B 29 GLY HAx 1.0 . 4.38 797 459 B 29 GLY H B 29 GLY HAy 1.0 . 4.38 798 460 B 30 GLY H B 30 GLY HAx 1.0 . 4.38 799 460 B 30 GLY H B 30 GLY HAy 1.0 . 4.38 800 461 B 32 GLY H B 32 GLY HAx 1.0 . 2.81 801 461 B 32 GLY H B 32 GLY HAy 1.0 . 2.81 802 462 B 36 GLU H B 36 GLU HA 1.0 . 3.50 803 463 B 36 GLU H B 36 GLU HBx 1.0 . 3.45 804 463 B 36 GLU H B 36 GLU HBy 1.0 . 3.45 805 464 B 36 GLU H B 36 GLU HGx 1.0 . 4.23 806 464 B 36 GLU H B 36 GLU HGy 1.0 . 4.23 807 465 B 36 GLU HBx B 36 GLU HGx 1.0 . 2.51 808 465 B 36 GLU HBy B 36 GLU HGx 1.0 . 2.51 809 465 B 36 GLU HGy B 36 GLU HBx 1.0 . 2.51 810 465 B 36 GLU HBy B 36 GLU HGy 1.0 . 2.51 811 466 B 37 LEU H B 37 LEU HA 1.0 . 3.50 812 467 B 37 LEU H B 37 LEU HBx 1.0 . 3.49 813 467 B 37 LEU H B 37 LEU HBy 1.0 . 3.49 814 468 B 37 LEU H B 37 LEU HD21 1.0 . 4.52 815 469 B 37 LEU H B 37 LEU HD21 1.0 . 4.17 816 469 B 37 LEU H B 37 LEU HD11 1.0 . 4.17 817 470 B 37 LEU HA B 37 LEU HD21 1.0 . 3.08 818 470 B 37 LEU HA B 37 LEU HD11 1.0 . 3.08 819 471 B 37 LEU HBx B 37 LEU HD21 1.0 . 3.94 820 471 B 37 LEU HBy B 37 LEU HD21 1.0 . 3.94 821 471 B 37 LEU HD11 B 37 LEU HBx 1.0 . 3.94 822 471 B 37 LEU HBy B 37 LEU HD11 1.0 . 3.94 823 472 B 38 MET H B 38 MET HA 1.0 . 3.50 824 473 B 39 LYS H B 39 LYS HA 1.0 . 3.50 825 474 B 39 LYS H B 39 LYS HBx 1.0 . 3.77 826 474 B 39 LYS H B 39 LYS HBy 1.0 . 3.77 827 475 B 39 LYS H B 39 LYS HDx 1.0 . 4.15 828 475 B 39 LYS H B 39 LYS HDy 1.0 . 4.15 829 476 B 39 LYS H B 39 LYS HGx 1.0 . 4.38 830 476 B 39 LYS H B 39 LYS HGy 1.0 . 4.38 831 477 B 39 LYS HDx B 39 LYS HEx 1.0 . 2.85 832 477 B 39 LYS HEy B 39 LYS HDx 1.0 . 2.85 833 477 B 39 LYS HDy B 39 LYS HEy 1.0 . 2.85 834 477 B 39 LYS HDy B 39 LYS HEx 1.0 . 2.85 835 478 B 3 LYS H B 3 LYS HBx 1.0 . 3.18 836 478 B 3 LYS H B 3 LYS HBy 1.0 . 3.18 837 479 B 3 LYS H B 3 LYS HDx 1.0 . 3.99 838 479 B 3 LYS H B 3 LYS HDy 1.0 . 3.99 839 480 B 3 LYS H B 3 LYS HEx 1.0 . 4.12 840 480 B 3 LYS H B 3 LYS HEy 1.0 . 4.12 841 481 B 3 LYS HBx B 3 LYS HEx 1.0 . 4.27 842 481 B 3 LYS HBy B 3 LYS HEx 1.0 . 4.27 843 481 B 3 LYS HEy B 3 LYS HBx 1.0 . 4.27 844 481 B 3 LYS HBy B 3 LYS HEy 1.0 . 4.27 845 482 B 40 LEU H B 40 LEU HBx 1.0 . 4.06 846 482 B 40 LEU H B 40 LEU HBy 1.0 . 4.06 847 483 B 40 LEU H B 40 LEU HD11 1.0 . 4.74 848 483 B 40 LEU H B 40 LEU HD21 1.0 . 4.74 849 484 B 40 LEU HBx B 40 LEU HD11 1.0 . 3.86 850 484 B 40 LEU HBy B 40 LEU HD11 1.0 . 3.86 851 484 B 40 LEU HD21 B 40 LEU HBx 1.0 . 3.86 852 484 B 40 LEU HBy B 40 LEU HD21 1.0 . 3.86 853 485 B 42 GLU H B 42 GLU HA 1.0 . 3.50 854 486 B 42 GLU H B 42 GLU HBx 1.0 . 3.84 855 486 B 42 GLU H B 42 GLU HBy 1.0 . 3.84 856 487 B 42 GLU H B 42 GLU HGx 1.0 . 4.46 857 487 B 42 GLU H B 42 GLU HGy 1.0 . 4.46 858 488 B 42 GLU HA B 42 GLU HBx 1.0 . 2.96 859 488 B 42 GLU HA B 42 GLU HBy 1.0 . 2.96 860 489 B 43 GLU H B 43 GLU HA 1.0 . 3.50 861 490 B 43 GLU H B 43 GLU HBx 1.0 . 4.20 862 490 B 43 GLU H B 43 GLU HBy 1.0 . 4.20 863 491 B 44 ALA H B 44 ALA HA 1.0 . 3.50 864 492 B 44 ALA H B 44 ALA HB1 1.0 . 4.11 865 493 B 45 ALA H B 45 ALA HB1 1.0 . 3.67 866 494 B 46 LYS H B 46 LYS HA 1.0 . 3.50 867 495 B 46 LYS H B 46 LYS HBx 1.0 . 4.05 868 495 B 46 LYS H B 46 LYS HBy 1.0 . 4.05 869 496 B 46 LYS H B 46 LYS HGx 1.0 . 4.38 870 496 B 46 LYS H B 46 LYS HGy 1.0 . 4.38 871 497 B 46 LYS HA B 46 LYS HDx 1.0 . 4.29 872 497 B 46 LYS HA B 46 LYS HDy 1.0 . 4.29 873 498 B 47 LYS H B 47 LYS HBx 1.0 . 3.75 874 498 B 47 LYS H B 47 LYS HBy 1.0 . 3.75 875 499 B 47 LYS H B 47 LYS HDx 1.0 . 4.29 876 499 B 47 LYS H B 47 LYS HDy 1.0 . 4.29 877 500 B 47 LYS HBx B 47 LYS HDx 1.0 . 3.50 878 500 B 47 LYS HBy B 47 LYS HDx 1.0 . 3.50 879 500 B 47 LYS HDy B 47 LYS HBx 1.0 . 3.50 880 500 B 47 LYS HBy B 47 LYS HDy 1.0 . 3.50 881 501 B 47 LYS HBx B 47 LYS HEx 1.0 . 4.60 882 501 B 47 LYS HEy B 47 LYS HBx 1.0 . 4.60 883 501 B 47 LYS HBy B 47 LYS HEy 1.0 . 4.60 884 501 B 47 LYS HBy B 47 LYS HEx 1.0 . 4.60 885 502 B 48 ALA H B 48 ALA HB1 1.0 . 4.07 886 503 B 49 GLU H B 49 GLU HBx 1.0 . 3.92 887 503 B 49 GLU H B 49 GLU HBy 1.0 . 3.92 888 504 B 49 GLU HBy B 49 GLU HGx 1.0 . 2.68 889 504 B 49 GLU HBx B 49 GLU HGx 1.0 . 2.68 890 504 B 49 GLU HGy B 49 GLU HBx 1.0 . 2.68 891 504 B 49 GLU HBy B 49 GLU HGy 1.0 . 2.68 892 505 B 4 LEU H B 4 LEU HG 1.0 . 3.74 893 506 B 4 LEU H B 4 LEU HBx 1.0 . 3.43 894 506 B 4 LEU H B 4 LEU HBy 1.0 . 3.43 895 507 B 4 LEU H B 4 LEU HBx 1.0 . 3.48 896 507 B 4 LEU H B 4 LEU HBy 1.0 . 3.48 897 508 B 4 LEU HBx B 4 LEU HD11 1.0 . 2.75 898 508 B 4 LEU HBy B 4 LEU HD11 1.0 . 2.75 899 508 B 4 LEU HD21 B 4 LEU HBx 1.0 . 2.75 900 508 B 4 LEU HBy B 4 LEU HD21 1.0 . 2.75 901 509 B 50 GLU H B 50 GLU HA 1.0 . 3.50 902 510 B 50 GLU H B 50 GLU HBx 1.0 . 3.72 903 510 B 50 GLU H B 50 GLU HBy 1.0 . 3.72 904 511 B 50 GLU H B 50 GLU HGx 1.0 . 3.96 905 511 B 50 GLU H B 50 GLU HGy 1.0 . 3.96 906 512 B 50 GLU HBy B 50 GLU HGx 1.0 . 2.89 907 512 B 50 GLU HBx B 50 GLU HGx 1.0 . 2.89 908 512 B 50 GLU HGy B 50 GLU HBx 1.0 . 2.89 909 512 B 50 GLU HBy B 50 GLU HGy 1.0 . 2.89 910 513 B 51 LEU H B 51 LEU HA 1.0 . 3.50 911 514 B 51 LEU H B 51 LEU HBx 1.0 . 3.76 912 514 B 51 LEU H B 51 LEU HBy 1.0 . 3.76 913 515 B 51 LEU H B 51 LEU HD11 1.0 . 4.01 914 515 B 51 LEU H B 51 LEU HD21 1.0 . 4.01 915 516 B 53 LYS H B 53 LYS HA 1.0 . 3.50 916 517 B 53 LYS H B 53 LYS HBx 1.0 . 4.38 917 517 B 53 LYS H B 53 LYS HBy 1.0 . 4.38 918 518 B 53 LYS HDx B 53 LYS HEx 1.0 . 2.98 919 518 B 53 LYS HDy B 53 LYS HEx 1.0 . 2.98 920 518 B 53 LYS HEy B 53 LYS HDx 1.0 . 2.98 921 518 B 53 LYS HDy B 53 LYS HEy 1.0 . 2.98 922 519 B 54 LEU H B 54 LEU HA 1.0 . 3.50 923 520 B 54 LEU H B 54 LEU HBx 1.0 . 4.11 924 520 B 54 LEU H B 54 LEU HBy 1.0 . 4.11 925 521 B 55 ALA H B 55 ALA HA 1.0 . 3.50 926 522 B 55 ALA H B 55 ALA HB1 1.0 . 4.06 927 523 B 56 GLU H B 56 GLU HA 1.0 . 3.50 928 524 B 56 GLU H B 56 GLU HBx 1.0 . 4.04 929 524 B 56 GLU H B 56 GLU HBy 1.0 . 4.04 930 525 B 56 GLU H B 56 GLU HGx 1.0 . 4.89 931 525 B 56 GLU H B 56 GLU HGy 1.0 . 4.89 932 526 B 57 GLU H B 57 GLU HBx 1.0 . 3.58 933 526 B 57 GLU H B 57 GLU HBy 1.0 . 3.58 934 527 B 57 GLU HA B 57 GLU HBx 1.0 . 2.99 935 527 B 57 GLU HBy B 57 GLU HA 1.0 . 2.99 936 528 B 58 ARG H B 58 ARG HA 1.0 . 3.50 937 529 B 58 ARG H B 58 ARG HBy 1.0 . 3.99 938 530 B 58 ARG H B 58 ARG HBy 1.0 . 3.64 939 530 B 58 ARG H B 58 ARG HBx 1.0 . 3.64 940 531 B 58 ARG H B 58 ARG HBy 1.0 . 3.66 941 531 B 58 ARG H B 58 ARG HBx 1.0 . 3.66 942 532 B 58 ARG H B 58 ARG HGx 1.0 . 4.05 943 532 B 58 ARG H B 58 ARG HGy 1.0 . 4.05 944 533 B 58 ARG H B 58 ARG HGx 1.0 . 4.29 945 533 B 58 ARG H B 58 ARG HGy 1.0 . 4.29 946 534 B 58 ARG HA B 58 ARG HDx 1.0 . 4.47 947 534 B 58 ARG HA B 58 ARG HDy 1.0 . 4.47 948 535 B 58 ARG HA B 58 ARG HGx 1.0 . 3.15 949 535 B 58 ARG HA B 58 ARG HGy 1.0 . 3.15 950 536 B 58 ARG HA B 58 ARG HGx 1.0 . 3.69 951 536 B 58 ARG HA B 58 ARG HGy 1.0 . 3.69 952 537 B 58 ARG HBx B 58 ARG HDy 1.0 . 4.05 953 537 B 58 ARG HBx B 58 ARG HDx 1.0 . 4.05 954 538 B 58 ARG HDy B 58 ARG HBy 1.0 . 4.05 955 538 B 58 ARG HBy B 58 ARG HDx 1.0 . 4.05 956 539 B 58 ARG HBx B 58 ARG HDx 1.0 . 3.37 957 539 B 58 ARG HBy B 58 ARG HDx 1.0 . 3.37 958 539 B 58 ARG HDy B 58 ARG HBy 1.0 . 3.37 959 539 B 58 ARG HBx B 58 ARG HDy 1.0 . 3.37 960 540 B 58 ARG HBx B 58 ARG HDx 1.0 . 3.42 961 540 B 58 ARG HBy B 58 ARG HDx 1.0 . 3.42 962 540 B 58 ARG HDy B 58 ARG HBy 1.0 . 3.42 963 540 B 58 ARG HBx B 58 ARG HDy 1.0 . 3.42 964 541 B 59 LEU H B 59 LEU HA 1.0 . 3.50 965 542 B 59 LEU H B 59 LEU HBx 1.0 . 3.93 966 542 B 59 LEU H B 59 LEU HBy 1.0 . 3.93 967 543 B 59 LEU H B 59 LEU HD11 1.0 . 5.60 968 543 B 59 LEU H B 59 LEU HD21 1.0 . 5.60 969 544 B 59 LEU HBx B 59 LEU HD11 1.0 . 3.77 970 544 B 59 LEU HBy B 59 LEU HD11 1.0 . 3.77 971 544 B 59 LEU HD21 B 59 LEU HBx 1.0 . 3.77 972 544 B 59 LEU HBy B 59 LEU HD21 1.0 . 3.77 973 545 B 5 ARG H B 5 ARG HBx 1.0 . 3.30 974 546 B 5 ARG H B 5 ARG HBy 1.0 . 3.23 975 546 B 5 ARG H B 5 ARG HBx 1.0 . 3.23 976 547 B 5 ARG H B 5 ARG HDx 1.0 . 4.43 977 547 B 5 ARG H B 5 ARG HDy 1.0 . 4.43 978 548 B 5 ARG HA B 5 ARG HDx 1.0 . 3.95 979 548 B 5 ARG HDy B 5 ARG HA 1.0 . 3.95 980 549 B 5 ARG HA B 5 ARG HDx 1.0 . 3.95 981 549 B 5 ARG HDy B 5 ARG HA 1.0 . 3.95 982 550 B 5 ARG HA B 5 ARG HGx 1.0 . 3.63 983 550 B 5 ARG HA B 5 ARG HGy 1.0 . 3.63 984 551 B 5 ARG HA B 5 ARG HGx 1.0 . 4.15 985 551 B 5 ARG HA B 5 ARG HGy 1.0 . 4.15 986 552 B 5 ARG HBx B 5 ARG HDy 1.0 . 3.82 987 552 B 5 ARG HBx B 5 ARG HDx 1.0 . 3.82 988 553 B 5 ARG HBx B 5 ARG HDy 1.0 . 3.99 989 553 B 5 ARG HBx B 5 ARG HDx 1.0 . 3.99 990 554 B 5 ARG HBx B 5 ARG HDx 1.0 . 3.63 991 554 B 5 ARG HBy B 5 ARG HDx 1.0 . 3.63 992 554 B 5 ARG HDy B 5 ARG HBy 1.0 . 3.63 993 554 B 5 ARG HBx B 5 ARG HDy 1.0 . 3.63 994 555 B 60 LYS H B 60 LYS HBx 1.0 . 3.44 995 555 B 60 LYS H B 60 LYS HBy 1.0 . 3.44 996 556 B 60 LYS HBy B 60 LYS HEx 1.0 . 4.51 997 556 B 60 LYS HBx B 60 LYS HEx 1.0 . 4.51 998 556 B 60 LYS HEy B 60 LYS HBx 1.0 . 4.51 999 556 B 60 LYS HBy B 60 LYS HEy 1.0 . 4.51 1000 557 B 61 LYS H B 61 LYS HBx 1.0 . 3.97 1001 558 B 61 LYS H B 61 LYS HBy 1.0 . 3.80 1002 559 B 61 LYS H B 61 LYS HBy 1.0 . 3.63 1003 559 B 61 LYS H B 61 LYS HBx 1.0 . 3.63 1004 560 B 61 LYS H B 61 LYS HDx 1.0 . 4.56 1005 560 B 61 LYS H B 61 LYS HDy 1.0 . 4.56 1006 561 B 61 LYS HA B 61 LYS HDx 1.0 . 4.93 1007 561 B 61 LYS HDy B 61 LYS HA 1.0 . 4.93 1008 562 B 61 LYS HEy B 61 LYS HBy 1.0 . 4.73 1009 562 B 61 LYS HBy B 61 LYS HEx 1.0 . 4.73 1010 563 B 61 LYS HBy B 61 LYS HEx 1.0 . 4.54 1011 563 B 61 LYS HBx B 61 LYS HEx 1.0 . 4.54 1012 563 B 61 LYS HEy B 61 LYS HBy 1.0 . 4.54 1013 563 B 61 LYS HBx B 61 LYS HEy 1.0 . 4.54 1014 564 B 62 LEU H B 62 LEU HA 1.0 . 3.50 1015 565 B 62 LEU H B 62 LEU HG 1.0 . 4.75 1016 566 B 62 LEU H B 62 LEU HBx 1.0 . 3.94 1017 566 B 62 LEU H B 62 LEU HBy 1.0 . 3.94 1018 567 B 62 LEU HA B 62 LEU HD11 1.0 . 3.71 1019 567 B 62 LEU HA B 62 LEU HD21 1.0 . 3.71 1020 568 B 62 LEU HBy B 62 LEU HD11 1.0 . 3.09 1021 568 B 62 LEU HBx B 62 LEU HD11 1.0 . 3.09 1022 568 B 62 LEU HD21 B 62 LEU HBx 1.0 . 3.09 1023 568 B 62 LEU HBy B 62 LEU HD21 1.0 . 3.09 1024 569 B 6 GLU H B 6 GLU HBx 1.0 . 3.73 1025 569 B 6 GLU H B 6 GLU HBy 1.0 . 3.73 1026 570 B 6 GLU HA B 6 GLU HGx 1.0 . 3.37 1027 570 B 6 GLU HA B 6 GLU HGy 1.0 . 3.37 1028 571 B 7 GLU H B 7 GLU HA 1.0 . 3.50 1029 572 B 7 GLU H B 7 GLU HBx 1.0 . 3.91 1030 572 B 7 GLU H B 7 GLU HBy 1.0 . 3.91 1031 573 B 7 GLU H B 7 GLU HGx 1.0 . 4.33 1032 573 B 7 GLU H B 7 GLU HGy 1.0 . 4.33 1033 574 B 8 ALA H B 8 ALA HB1 1.0 . 3.78 1034 575 B 9 ALA H B 9 ALA HA 1.0 . 3.50 1035 576 B 9 ALA H B 9 ALA HB1 1.0 . 4.15 1036 577 B 11 LEU H B 10 LYS HBx 1.0 . 4.38 1037 577 B 10 LYS HBy B 11 LEU H 1.0 . 4.38 1038 578 B 11 LEU H B 12 PHE H 1.0 . 3.50 1039 579 B 11 LEU HA B 12 PHE H 1.0 . 3.50 1040 580 B 13 GLU HA B 12 PHE HBy 1.0 . 4.31 1041 581 B 13 GLU HA B 12 PHE HBy 1.0 . 4.22 1042 581 B 13 GLU HA B 12 PHE HBx 1.0 . 4.22 1043 582 B 13 GLU H B 14 GLU H 1.0 . 3.50 1044 583 B 14 GLU H B 13 GLU HBx 1.0 . 4.13 1045 583 B 13 GLU HBy B 14 GLU H 1.0 . 4.13 1046 584 B 14 GLU HA B 13 GLU HGx 1.0 . 5.58 1047 584 B 14 GLU HA B 13 GLU HGy 1.0 . 5.58 1048 585 B 15 TRP HA B 14 GLU HBx 1.0 . 4.04 1049 585 B 14 GLU HBy B 15 TRP HA 1.0 . 4.04 1050 586 B 16 LYS H B 15 TRP HBx 1.0 . 4.03 1051 587 B 16 LYS H B 15 TRP HBy 1.0 . 3.73 1052 588 B 16 LYS H B 15 TRP HBy 1.0 . 3.67 1053 588 B 16 LYS H B 15 TRP HBx 1.0 . 3.67 1054 589 B 16 LYS H B 15 TRP HBy 1.0 . 4.38 1055 589 B 16 LYS H B 15 TRP HBx 1.0 . 4.38 1056 590 B 16 LYS H B 17 LYS H 1.0 . 3.61 1057 591 B 17 LYS H B 16 LYS HBx 1.0 . 3.98 1058 591 B 16 LYS HBy B 17 LYS H 1.0 . 3.98 1059 592 B 18 LEU H B 17 LYS HBx 1.0 . 4.38 1060 592 B 17 LYS HBy B 18 LEU H 1.0 . 4.38 1061 593 B 19 ALA H B 18 LEU H 1.0 . 3.50 1062 594 B 19 ALA H B 18 LEU HA 1.0 . 3.50 1063 595 B 19 ALA H B 18 LEU HBx 1.0 . 4.40 1064 595 B 19 ALA H B 18 LEU HBy 1.0 . 4.40 1065 596 B 19 ALA HA B 18 LEU HBx 1.0 . 5.25 1066 596 B 19 ALA HA B 18 LEU HBy 1.0 . 5.25 1067 597 B 19 ALA H B 20 GLU H 1.0 . 3.42 1068 598 B 19 ALA HB1 B 20 GLU H 1.0 . 3.76 1069 599 B 20 GLU H B 21 GLU H 1.0 . 4.23 1070 600 B 21 GLU H B 20 GLU HBx 1.0 . 3.73 1071 600 B 20 GLU HBy B 21 GLU H 1.0 . 3.73 1072 601 B 21 GLU H B 20 GLU HGx 1.0 . 4.38 1073 601 B 20 GLU HGy B 21 GLU H 1.0 . 4.38 1074 602 B 21 GLU H B 22 ALA H 1.0 . 3.82 1075 603 B 22 ALA H B 21 GLU HBx 1.0 . 4.29 1076 603 B 21 GLU HBy B 22 ALA H 1.0 . 4.29 1077 604 B 22 ALA H B 23 ALA H 1.0 . 4.25 1078 605 B 23 ALA H B 22 ALA HA 1.0 . 3.50 1079 606 B 22 ALA HB1 B 23 ALA H 1.0 . 4.52 1080 607 B 23 ALA H B 24 LYS H 1.0 . 3.91 1081 608 B 23 ALA HA B 24 LYS H 1.0 . 3.50 1082 609 B 23 ALA HB1 B 24 LYS H 1.0 . 4.52 1083 610 B 24 LYS H B 25 LEU H 1.0 . 3.56 1084 611 B 24 LYS HA B 25 LEU H 1.0 . 3.50 1085 612 B 25 LEU H B 24 LYS HBx 1.0 . 4.10 1086 612 B 24 LYS HBy B 25 LEU H 1.0 . 4.10 1087 613 B 25 LEU H B 24 LYS HDx 1.0 . 4.94 1088 613 B 24 LYS HDy B 25 LEU H 1.0 . 4.94 1089 614 B 25 LEU H B 24 LYS HGx 1.0 . 4.33 1090 614 B 24 LYS HGy B 25 LEU H 1.0 . 4.33 1091 615 B 25 LEU H B 26 LEU H 1.0 . 5.22 1092 616 B 25 LEU HA B 26 LEU H 1.0 . 3.50 1093 617 B 26 LEU H B 25 LEU HBx 1.0 . 4.38 1094 617 B 25 LEU HBy B 26 LEU H 1.0 . 4.38 1095 618 B 26 LEU H B 27 GLU H 1.0 . 4.09 1096 619 B 27 GLU H B 26 LEU HBx 1.0 . 5.11 1097 619 B 27 GLU H B 26 LEU HBy 1.0 . 5.11 1098 620 B 27 GLU H B 28 GLY H 1.0 . 3.06 1099 621 B 27 GLU HA B 28 GLY H 1.0 . 3.50 1100 622 B 28 GLY H B 27 GLU HBx 1.0 . 4.21 1101 622 B 27 GLU HBy B 28 GLY H 1.0 . 4.21 1102 623 B 28 GLY H B 27 GLU HBx 1.0 . 4.21 1103 623 B 27 GLU HBy B 28 GLY H 1.0 . 4.21 1104 624 B 28 GLY H B 27 GLU HGx 1.0 . 4.88 1105 624 B 27 GLU HGy B 28 GLY H 1.0 . 4.88 1106 625 B 28 GLY H B 29 GLY H 1.0 . 3.71 1107 626 B 28 GLY H B 29 GLY HAx 1.0 . 5.39 1108 626 B 28 GLY H B 29 GLY HAy 1.0 . 5.39 1109 627 B 29 GLY H B 28 GLY HAx 1.0 . 3.34 1110 627 B 28 GLY HAy B 29 GLY H 1.0 . 3.34 1111 628 B 30 GLY H B 29 GLY HAx 1.0 . 4.38 1112 628 B 29 GLY HAy B 30 GLY H 1.0 . 4.38 1113 629 B 3 LYS H B 2 LYS HBx 1.0 . 4.10 1114 630 B 3 LYS H B 2 LYS HBy 1.0 . 4.10 1115 631 B 3 LYS H B 2 LYS HBy 1.0 . 4.26 1116 631 B 3 LYS H B 2 LYS HBx 1.0 . 4.26 1117 632 B 31 GLY H B 30 GLY HAx 1.0 . 2.86 1118 632 B 30 GLY HAy B 31 GLY H 1.0 . 2.86 1119 633 B 32 GLY H B 31 GLY HAx 1.0 . 3.24 1120 633 B 32 GLY H B 31 GLY HAy 1.0 . 3.24 1121 634 B 33 GLY H B 32 GLY HAx 1.0 . 3.14 1122 634 B 32 GLY HAy B 33 GLY H 1.0 . 3.14 1123 635 B 36 GLU H B 35 GLY HAx 1.0 . 4.38 1124 635 B 36 GLU H B 35 GLY HAy 1.0 . 4.38 1125 636 B 36 GLU H B 37 LEU H 1.0 . 3.38 1126 637 B 36 GLU HA B 37 LEU H 1.0 . 3.50 1127 638 B 37 LEU H B 36 GLU HBx 1.0 . 3.92 1128 638 B 36 GLU HBy B 37 LEU H 1.0 . 3.92 1129 639 B 36 GLU HBy B 37 LEU HBx 1.0 . 4.95 1130 639 B 36 GLU HBx B 37 LEU HBx 1.0 . 4.95 1131 639 B 37 LEU HBy B 36 GLU HBx 1.0 . 4.95 1132 639 B 36 GLU HBy B 37 LEU HBy 1.0 . 4.95 1133 640 B 36 GLU HBy B 37 LEU HD21 1.0 . 4.37 1134 640 B 36 GLU HBx B 37 LEU HD21 1.0 . 4.37 1135 640 B 37 LEU HD11 B 36 GLU HBx 1.0 . 4.37 1136 640 B 36 GLU HBy B 37 LEU HD11 1.0 . 4.37 1137 641 B 37 LEU H B 36 GLU HGx 1.0 . 3.78 1138 641 B 36 GLU HGy B 37 LEU H 1.0 . 3.78 1139 642 B 37 LEU HA B 36 GLU HGx 1.0 . 3.51 1140 642 B 36 GLU HGy B 37 LEU HA 1.0 . 3.51 1141 643 B 37 LEU H B 38 MET H 1.0 . 3.24 1142 644 B 37 LEU H B 38 MET HBx 1.0 . 5.21 1143 644 B 37 LEU H B 38 MET HBy 1.0 . 5.21 1144 645 B 37 LEU H B 38 MET HBx 1.0 . 5.42 1145 645 B 37 LEU H B 38 MET HBy 1.0 . 5.42 1146 646 B 37 LEU HA B 38 MET H 1.0 . 3.50 1147 647 B 38 MET H B 37 LEU HBx 1.0 . 4.20 1148 647 B 37 LEU HBy B 38 MET H 1.0 . 4.20 1149 648 B 38 MET H B 39 LYS H 1.0 . 3.50 1150 649 B 38 MET HA B 39 LYS H 1.0 . 3.50 1151 650 B 39 LYS H B 38 MET HBx 1.0 . 4.37 1152 650 B 39 LYS H B 38 MET HBy 1.0 . 4.37 1153 651 B 39 LYS H B 40 LEU H 1.0 . 4.15 1154 652 B 40 LEU H B 39 LYS HGx 1.0 . 3.96 1155 652 B 39 LYS HGy B 40 LEU H 1.0 . 3.96 1156 653 B 3 LYS H B 4 LEU H 1.0 . 3.93 1157 654 B 4 LEU H B 3 LYS HBx 1.0 . 3.83 1158 654 B 3 LYS HBy B 4 LEU H 1.0 . 3.83 1159 655 B 40 LEU H B 41 CYS H 1.0 . 4.35 1160 656 B 41 CYS H B 40 LEU HBx 1.0 . 4.18 1161 656 B 40 LEU HBy B 41 CYS H 1.0 . 4.18 1162 657 B 42 GLU H B 41 CYS H 1.0 . 4.23 1163 658 B 42 GLU H B 43 GLU H 1.0 . 4.14 1164 659 B 43 GLU H B 42 GLU HBx 1.0 . 3.98 1165 659 B 42 GLU HBy B 43 GLU H 1.0 . 3.98 1166 660 B 43 GLU H B 44 ALA H 1.0 . 3.50 1167 661 B 44 ALA H B 43 GLU HBx 1.0 . 4.38 1168 661 B 43 GLU HBy B 44 ALA H 1.0 . 4.38 1169 662 B 44 ALA H B 45 ALA H 1.0 . 4.34 1170 663 B 44 ALA HB1 B 45 ALA H 1.0 . 3.15 1171 664 B 44 ALA HB1 B 45 ALA HA 1.0 . 3.79 1172 665 B 45 ALA H B 46 LYS H 1.0 . 4.45 1173 666 B 46 LYS H B 45 ALA HA 1.0 . 3.50 1174 667 B 46 LYS H B 47 LYS H 1.0 . 3.89 1175 668 B 47 LYS H B 46 LYS HBx 1.0 . 4.38 1176 668 B 46 LYS HBy B 47 LYS H 1.0 . 4.38 1177 669 B 47 LYS H B 48 ALA H 1.0 . 3.50 1178 670 B 48 ALA H B 47 LYS HBx 1.0 . 4.39 1179 670 B 47 LYS HBy B 48 ALA H 1.0 . 4.39 1180 671 B 48 ALA HA B 47 LYS HBx 1.0 . 4.09 1181 671 B 47 LYS HBy B 48 ALA HA 1.0 . 4.09 1182 672 B 48 ALA HB1 B 49 GLU H 1.0 . 4.72 1183 673 B 49 GLU H B 50 GLU H 1.0 . 3.95 1184 674 B 50 GLU H B 49 GLU HA 1.0 . 3.50 1185 675 B 50 GLU H B 49 GLU HBx 1.0 . 4.16 1186 675 B 49 GLU HBy B 50 GLU H 1.0 . 4.16 1187 676 B 50 GLU H B 49 GLU HGx 1.0 . 4.64 1188 676 B 49 GLU HGy B 50 GLU H 1.0 . 4.64 1189 677 B 4 LEU H B 5 ARG H 1.0 . 4.30 1190 678 B 4 LEU HG B 5 ARG H 1.0 . 4.63 1191 679 B 5 ARG H B 4 LEU HD11 1.0 . 3.92 1192 679 B 4 LEU HD21 B 5 ARG H 1.0 . 3.92 1193 680 B 5 ARG HBx B 4 LEU HD11 1.0 . 4.61 1194 680 B 4 LEU HD21 B 5 ARG HBx 1.0 . 4.61 1195 681 B 50 GLU H B 51 LEU H 1.0 . 3.71 1196 682 B 50 GLU H B 51 LEU HBx 1.0 . 4.65 1197 682 B 50 GLU H B 51 LEU HBy 1.0 . 4.65 1198 683 B 50 GLU HA B 51 LEU H 1.0 . 3.50 1199 684 B 51 LEU H B 50 GLU HBx 1.0 . 4.38 1200 684 B 50 GLU HBy B 51 LEU H 1.0 . 4.38 1201 685 B 51 LEU H B 50 GLU HGx 1.0 . 4.25 1202 685 B 50 GLU HGy B 51 LEU H 1.0 . 4.25 1203 686 B 51 LEU H B 50 GLU HGx 1.0 . 4.89 1204 686 B 50 GLU HGy B 51 LEU H 1.0 . 4.89 1205 687 B 53 LYS H B 52 PHE HA 1.0 . 3.50 1206 688 B 53 LYS H B 52 PHE HBx 1.0 . 3.50 1207 689 B 53 LYS H B 54 LEU H 1.0 . 4.02 1208 690 B 54 LEU H B 53 LYS HBx 1.0 . 4.11 1209 690 B 53 LYS HBy B 54 LEU H 1.0 . 4.11 1210 691 B 54 LEU H B 55 ALA H 1.0 . 3.37 1211 692 B 55 ALA H B 56 GLU H 1.0 . 3.65 1212 693 B 55 ALA HA B 56 GLU H 1.0 . 3.50 1213 694 B 55 ALA HB1 B 56 GLU H 1.0 . 4.21 1214 695 B 56 GLU H B 57 GLU H 1.0 . 3.55 1215 696 B 57 GLU H B 56 GLU HBx 1.0 . 3.28 1216 696 B 56 GLU HBy B 57 GLU H 1.0 . 3.28 1217 697 B 57 GLU H B 58 ARG H 1.0 . 3.78 1218 698 B 58 ARG H B 57 GLU HBx 1.0 . 4.01 1219 698 B 57 GLU HBy B 58 ARG H 1.0 . 4.01 1220 699 B 58 ARG H B 59 LEU H 1.0 . 3.45 1221 700 B 58 ARG H B 59 LEU H 1.0 . 3.50 1222 701 B 58 ARG HA B 59 LEU H 1.0 . 3.50 1223 702 B 58 ARG HBx B 59 LEU H 1.0 . 4.31 1224 703 B 59 LEU H B 58 ARG HBy 1.0 . 3.88 1225 703 B 58 ARG HBx B 59 LEU H 1.0 . 3.88 1226 704 B 59 LEU H B 58 ARG HGx 1.0 . 4.51 1227 704 B 58 ARG HGy B 59 LEU H 1.0 . 4.51 1228 705 B 59 LEU H B 58 ARG HGx 1.0 . 4.55 1229 705 B 58 ARG HGy B 59 LEU H 1.0 . 4.55 1230 706 B 60 LYS H B 59 LEU HBx 1.0 . 3.86 1231 706 B 59 LEU HBy B 60 LYS H 1.0 . 3.86 1232 707 B 6 GLU H B 5 ARG HBy 1.0 . 3.80 1233 707 B 5 ARG HBx B 6 GLU H 1.0 . 3.80 1234 708 B 6 GLU H B 5 ARG HBy 1.0 . 4.38 1235 708 B 5 ARG HBx B 6 GLU H 1.0 . 4.38 1236 709 B 61 LYS H B 60 LYS HA 1.0 . 3.54 1237 710 B 61 LYS H B 60 LYS HBx 1.0 . 4.67 1238 710 B 60 LYS HBy B 61 LYS H 1.0 . 4.67 1239 711 B 6 GLU H B 7 GLU H 1.0 . 3.60 1240 712 B 7 GLU H B 6 GLU HBx 1.0 . 4.28 1241 712 B 6 GLU HBy B 7 GLU H 1.0 . 4.28 1242 713 B 8 ALA H B 7 GLU HBx 1.0 . 4.25 1243 713 B 7 GLU HBy B 8 ALA H 1.0 . 4.25 1244 714 B 8 ALA H B 9 ALA H 1.0 . 3.62 1245 715 B 8 ALA HB1 B 9 ALA H 1.0 . 3.89 1246 716 B 10 LYS H B 9 ALA H 1.0 . 4.13 1247 717 B 10 LYS H B 9 ALA HB1 1.0 . 4.00 1248 718 B 11 LEU HA B 13 GLU H 1.0 . 4.40 1249 719 B 15 TRP H B 13 GLU HBx 1.0 . 6.19 1250 719 B 13 GLU HBy B 15 TRP H 1.0 . 6.19 1251 720 B 14 GLU H B 16 LYS H 1.0 . 4.51 1252 721 B 17 LYS H B 15 TRP HA 1.0 . 4.30 1253 722 B 17 LYS H B 15 TRP HA 1.0 . 4.57 1254 723 B 17 LYS H B 19 ALA H 1.0 . 4.35 1255 724 B 19 ALA H B 17 LYS HBx 1.0 . 5.06 1256 724 B 17 LYS HBy B 19 ALA H 1.0 . 5.06 1257 725 B 20 GLU H B 18 LEU H 1.0 . 4.43 1258 726 B 20 GLU H B 18 LEU HA 1.0 . 4.37 1259 727 B 19 ALA H B 21 GLU H 1.0 . 4.25 1260 728 B 19 ALA HA B 21 GLU H 1.0 . 4.68 1261 729 B 21 GLU HA B 23 ALA H 1.0 . 4.22 1262 730 B 23 ALA HA B 25 LEU H 1.0 . 4.87 1263 731 B 23 ALA HB1 B 25 LEU H 1.0 . 5.50 1264 732 B 24 LYS H B 26 LEU H 1.0 . 4.61 1265 733 B 25 LEU H B 27 GLU HGx 1.0 . 5.88 1266 733 B 25 LEU H B 27 GLU HGy 1.0 . 5.88 1267 734 B 30 GLY H B 28 GLY HAx 1.0 . 4.24 1268 734 B 28 GLY HAy B 30 GLY H 1.0 . 4.24 1269 735 B 4 LEU H B 2 LYS HA 1.0 . 4.18 1270 736 B 36 GLU HA B 38 MET H 1.0 . 4.57 1271 737 B 38 MET H B 36 GLU HGx 1.0 . 4.82 1272 737 B 36 GLU HGy B 38 MET H 1.0 . 4.82 1273 738 B 39 LYS H B 37 LEU HBx 1.0 . 5.05 1274 738 B 37 LEU HBy B 39 LYS H 1.0 . 5.05 1275 739 B 3 LYS H B 5 ARG H 1.0 . 4.94 1276 740 B 3 LYS H B 5 ARG HBx 1.0 . 5.50 1277 741 B 44 ALA HA B 46 LYS H 1.0 . 4.20 1278 742 B 44 ALA HB1 B 46 LYS H 1.0 . 5.50 1279 743 B 46 LYS H B 48 ALA H 1.0 . 4.39 1280 744 B 48 ALA H B 46 LYS HBx 1.0 . 4.92 1281 744 B 46 LYS HBy B 48 ALA H 1.0 . 4.92 1282 745 B 50 GLU H B 48 ALA HA 1.0 . 4.82 1283 746 B 51 LEU H B 49 GLU HBx 1.0 . 5.50 1284 746 B 49 GLU HBy B 51 LEU H 1.0 . 5.50 1285 747 B 54 LEU H B 56 GLU H 1.0 . 4.09 1286 748 B 56 GLU H B 58 ARG H 1.0 . 3.85 1287 749 B 58 ARG H B 60 LYS H 1.0 . 3.92 1288 750 B 58 ARG H B 60 LYS H 1.0 . 4.02 1289 751 B 58 ARG HA B 60 LYS H 1.0 . 4.50 1290 752 B 58 ARG HBx B 60 LYS H 1.0 . 4.83 1291 753 B 5 ARG HA B 7 GLU H 1.0 . 4.46 1292 754 B 10 LYS H B 8 ALA H 1.0 . 4.19 1293 755 B 9 ALA H B 11 LEU HBx 1.0 . 5.21 1294 755 B 11 LEU HBy B 9 ALA H 1.0 . 5.21 1295 756 B 11 LEU HA B 14 GLU H 1.0 . 3.40 1296 757 B 11 LEU HD11 B 14 GLU HBx 1.0 . 5.93 1297 757 B 11 LEU HD21 B 14 GLU HBx 1.0 . 5.93 1298 757 B 14 GLU HBy B 11 LEU HD11 1.0 . 5.93 1299 757 B 11 LEU HD21 B 14 GLU HBy 1.0 . 5.93 1300 758 B 16 LYS H B 13 GLU HA 1.0 . 3.50 1301 759 B 15 TRP HA B 18 LEU H 1.0 . 4.04 1302 760 B 21 GLU H B 18 LEU HA 1.0 . 3.50 1303 761 B 19 ALA HA B 22 ALA H 1.0 . 3.50 1304 762 B 19 ALA HB1 B 22 ALA H 1.0 . 5.03 1305 763 B 20 GLU HA B 23 ALA H 1.0 . 3.50 1306 764 B 21 GLU HA B 24 LYS H 1.0 . 4.59 1307 765 B 23 ALA HA B 26 LEU H 1.0 . 4.18 1308 766 B 23 ALA HA B 26 LEU HBx 1.0 . 4.28 1309 766 B 23 ALA HA B 26 LEU HBy 1.0 . 4.28 1310 767 B 23 ALA HB1 B 26 LEU H 1.0 . 5.50 1311 768 B 24 LYS HA B 27 GLU H 1.0 . 3.50 1312 769 B 27 GLU H B 24 LYS HBx 1.0 . 4.92 1313 769 B 24 LYS HBy B 27 GLU H 1.0 . 4.92 1314 770 B 25 LEU HA B 28 GLY H 1.0 . 3.50 1315 771 B 38 MET H B 35 GLY HAx 1.0 . 4.38 1316 771 B 38 MET H B 35 GLY HAy 1.0 . 4.38 1317 772 B 36 GLU HGx B 39 LYS HDx 1.0 . 5.72 1318 772 B 36 GLU HGy B 39 LYS HDx 1.0 . 5.72 1319 772 B 39 LYS HDy B 36 GLU HGx 1.0 . 5.72 1320 772 B 36 GLU HGy B 39 LYS HDy 1.0 . 5.72 1321 773 B 37 LEU HA B 40 LEU H 1.0 . 3.50 1322 774 B 39 LYS HA B 42 GLU H 1.0 . 3.50 1323 775 B 44 ALA HB1 B 41 CYS HA 1.0 . 4.44 1324 776 B 45 ALA H B 42 GLU HGx 1.0 . 4.72 1325 776 B 42 GLU HGy B 45 ALA H 1.0 . 4.72 1326 777 B 45 ALA H B 42 GLU HGx 1.0 . 4.72 1327 777 B 42 GLU HGy B 45 ALA H 1.0 . 4.72 1328 778 B 43 GLU HA B 46 LYS H 1.0 . 3.50 1329 779 B 44 ALA HA B 47 LYS H 1.0 . 4.63 1330 780 B 44 ALA HA B 47 LYS HBx 1.0 . 5.04 1331 780 B 44 ALA HA B 47 LYS HBy 1.0 . 5.04 1332 781 B 48 ALA H B 45 ALA HA 1.0 . 3.50 1333 782 B 46 LYS HA B 49 GLU H 1.0 . 3.50 1334 783 B 50 GLU H B 47 LYS HA 1.0 . 3.50 1335 784 B 51 LEU HA B 54 LEU H 1.0 . 3.40 1336 785 B 55 ALA H B 52 PHE HA 1.0 . 3.50 1337 786 B 54 LEU HA B 57 GLU H 1.0 . 4.36 1338 787 B 55 ALA HA B 58 ARG H 1.0 . 3.50 1339 788 B 5 ARG HA B 8 ALA H 1.0 . 4.19 1340 789 B 11 LEU H B 8 ALA HA 1.0 . 3.50 1341 790 B 8 ALA HA B 11 LEU HBx 1.0 . 4.21 1342 790 B 11 LEU HBy B 8 ALA HA 1.0 . 4.21 1343 791 B 19 ALA H B 15 TRP HA 1.0 . 4.49 1344 792 B 22 ALA H B 18 LEU HA 1.0 . 5.00 1345 793 B 22 ALA H B 18 LEU HBx 1.0 . 4.77 1346 793 B 22 ALA H B 18 LEU HBy 1.0 . 4.77 1347 794 B 19 ALA HA B 23 ALA H 1.0 . 4.64 1348 795 B 22 ALA HB1 B 26 LEU HD11 1.0 . 4.88 1349 795 B 22 ALA HB1 B 26 LEU HD21 1.0 . 4.88 1350 796 B 23 ALA HA B 27 GLU H 1.0 . 4.43 1351 797 B 23 ALA HA B 27 GLU H 1.0 . 4.65 1352 798 B 36 GLU HBx B 40 LEU HD11 1.0 . 5.58 1353 798 B 36 GLU HBy B 40 LEU HD11 1.0 . 5.58 1354 798 B 40 LEU HD21 B 36 GLU HBx 1.0 . 5.58 1355 798 B 36 GLU HBy B 40 LEU HD21 1.0 . 5.58 1356 799 B 40 LEU H B 36 GLU HGx 1.0 . 4.39 1357 799 B 36 GLU HGy B 40 LEU H 1.0 . 4.39 1358 800 B 36 GLU HGy B 40 LEU HD11 1.0 . 3.68 1359 800 B 36 GLU HGx B 40 LEU HD11 1.0 . 3.68 1360 800 B 40 LEU HD21 B 36 GLU HGx 1.0 . 3.68 1361 800 B 36 GLU HGy B 40 LEU HD21 1.0 . 3.68 1362 801 B 20 GLU H B 45 ALA HB1 1.0 . 4.60 1363 802 B 23 ALA HB1 B 38 MET HBx 1.0 . 3.88 1364 802 B 23 ALA HB1 B 38 MET HBy 1.0 . 3.88 1365 803 B 26 LEU HA B 37 LEU HD21 1.0 . 5.10 1366 803 B 26 LEU HA B 37 LEU HD11 1.0 . 5.10 1367 804 B 31 GLY H B 38 MET HE1 1.0 . 5.50 1368 805 B 38 MET HE1 B 31 GLY HAx 1.0 . 4.27 1369 805 B 31 GLY HAy B 38 MET HE1 1.0 . 4.27 1370 806 B 32 GLY H B 38 MET HE1 1.0 . 5.49 1371 807 B 37 LEU HA B 26 LEU HD11 1.0 . 3.08 1372 807 B 26 LEU HD21 B 37 LEU HA 1.0 . 3.08 1373 808 B 5 ARG HA B 59 LEU HBx 1.0 . 4.71 1374 808 B 59 LEU HBy B 5 ARG HA 1.0 . 4.71 1375 809 B 59 LEU HBy B 5 ARG HBx 1.0 . 4.92 1376 809 B 5 ARG HBx B 59 LEU HBx 1.0 . 4.92 1377 810 B 59 LEU HD21 B 5 ARG HBx 1.0 . 4.94 1378 810 B 5 ARG HBx B 59 LEU HD11 1.0 . 4.94 1379 811 B 59 LEU HD21 B 5 ARG HBx 1.0 . 4.96 1380 811 B 5 ARG HBx B 59 LEU HD11 1.0 . 4.96 1381 812 B 59 LEU HD21 B 5 ARG HBy 1.0 . 4.98 1382 812 B 5 ARG HBy B 59 LEU HD11 1.0 . 4.98 1383 813 B 5 ARG HBy B 59 LEU HBx 1.0 . 3.98 1384 813 B 5 ARG HBx B 59 LEU HBx 1.0 . 3.98 1385 813 B 59 LEU HBy B 5 ARG HBy 1.0 . 3.98 1386 813 B 59 LEU HBy B 5 ARG HBx 1.0 . 3.98 1387 814 B 59 LEU HA B 5 ARG HGx 1.0 . 4.59 1388 814 B 59 LEU HA B 5 ARG HGy 1.0 . 4.59 1389 815 B 8 ALA HB1 B 59 LEU HD11 1.0 . 3.22 1390 815 B 59 LEU HD21 B 8 ALA HB1 1.0 . 3.22 1391 816 B 9 ALA H B 59 LEU HD11 1.0 . 4.46 1392 816 B 59 LEU HD21 B 9 ALA H 1.0 . 4.46 1393 817 B 9 ALA HB1 B 59 LEU HD11 1.0 . 3.44 1394 817 B 59 LEU HD21 B 9 ALA HB1 1.0 . 3.44 1395 818 A 8 ALA H B 25 LEU HBx 1.0 . 6.00 1396 818 A 8 ALA H B 25 LEU HBy 1.0 . 6.00 1397 819 A 36 GLU HBx B 59 LEU HD11 1.0 . 6.00 1398 819 A 36 GLU HBy B 59 LEU HD11 1.0 . 6.00 1399 819 B 59 LEU HD21 A 36 GLU HBx 1.0 . 6.00 1400 819 A 36 GLU HBy B 59 LEU HD21 1.0 . 6.00 1401 820 B 22 ALA H A 11 LEU HDx% 1.0 . 5.64 1402 820 A 11 LEU HDy% B 22 ALA H 1.0 . 5.64 1403 821 B 19 ALA HA A 11 LEU HDx% 1.0 . 4.72 1404 821 A 11 LEU HDy% B 19 ALA HA 1.0 . 4.72 1405 822 B 22 ALA HA A 11 LEU HDx% 1.0 . 4.60 1406 822 A 11 LEU HDy% B 22 ALA HA 1.0 . 4.60 1407 823 B 22 ALA HB1 A 11 LEU HDx% 1.0 . 4.44 1408 823 A 11 LEU HDy% B 22 ALA HB1 1.0 . 4.44 1409 824 A 28 GLY H B 4 LEU HBx 1.0 . 6.00 1410 824 A 28 GLY H B 4 LEU HBy 1.0 . 6.00 1411 825 A 28 GLY H B 4 LEU HD11 1.0 . 6.00 1412 825 A 28 GLY H B 4 LEU HD21 1.0 . 6.00 1413 826 A 44 ALA HB% B 47 LYS HBx 1.0 . 4.61 1414 826 A 44 ALA HB% B 47 LYS HBy 1.0 . 4.61 1415 827 A 58 ARG HE B 37 LEU HD21 1.0 . 6.00 1416 827 B 37 LEU HD11 A 58 ARG HE 1.0 . 6.00 1417 828 B 8 ALA H A 25 LEU HBx 1.0 . 6.00 1418 828 A 25 LEU HBy B 8 ALA H 1.0 . 6.00 1419 829 A 59 LEU HDy% B 36 GLU HBx 1.0 . 6.00 1420 829 A 59 LEU HDx% B 36 GLU HBx 1.0 . 6.00 1421 829 B 36 GLU HBy A 59 LEU HDx% 1.0 . 6.00 1422 829 A 59 LEU HDy% B 36 GLU HBy 1.0 . 6.00 1423 830 A 22 ALA H B 11 LEU HD11 1.0 . 5.64 1424 830 A 22 ALA H B 11 LEU HD21 1.0 . 5.64 1425 831 A 19 ALA HA B 11 LEU HD11 1.0 . 4.72 1426 831 A 19 ALA HA B 11 LEU HD21 1.0 . 4.72 1427 832 A 22 ALA HA B 11 LEU HD11 1.0 . 4.60 1428 832 A 22 ALA HA B 11 LEU HD21 1.0 . 4.60 1429 833 A 22 ALA HB% B 11 LEU HD11 1.0 . 4.44 1430 833 A 22 ALA HB% B 11 LEU HD21 1.0 . 4.44 1431 834 B 28 GLY H A 4 LEU HBx 1.0 . 6.00 1432 834 A 4 LEU HBy B 28 GLY H 1.0 . 6.00 1433 835 B 28 GLY H A 4 LEU HDx% 1.0 . 6.00 1434 835 A 4 LEU HDy% B 28 GLY H 1.0 . 6.00 1435 836 B 44 ALA HB1 A 47 LYS HBx 1.0 . 4.61 1436 836 A 47 LYS HBy B 44 ALA HB1 1.0 . 4.61 1437 837 B 58 ARG HE A 37 LEU HDy% 1.0 . 6.00 1438 837 A 37 LEU HDx% B 58 ARG HE 1.0 . 6.00 1439 838 A 12 PHE HBy A 51 LEU HBx 1.0 . 6.00 1440 838 A 12 PHE HBx A 51 LEU HBx 1.0 . 6.00 1441 838 A 51 LEU HBy A 12 PHE HBx 1.0 . 6.00 1442 838 A 51 LEU HBy A 12 PHE HBy 1.0 . 6.00 1443 839 A 12 PHE HEx A 51 LEU HDx% 1.0 . 5.50 1444 839 A 51 LEU HDy% A 12 PHE HEy 1.0 . 5.50 1445 839 A 12 PHE HDx A 51 LEU HDx% 1.0 . 5.50 1446 839 A 51 LEU HDy% A 12 PHE HEx 1.0 . 5.50 1447 839 A 12 PHE HEy A 51 LEU HDx% 1.0 . 5.50 1448 839 A 51 LEU HDy% A 12 PHE HDx 1.0 . 5.50 1449 839 A 12 PHE HDy A 51 LEU HDx% 1.0 . 5.50 1450 839 A 51 LEU HDy% A 12 PHE HDy 1.0 . 5.50 1451 840 B 12 PHE HBx B 51 LEU HBx 1.0 . 6.00 1452 840 B 12 PHE HBy B 51 LEU HBx 1.0 . 6.00 1453 840 B 51 LEU HBy B 12 PHE HBy 1.0 . 6.00 1454 840 B 51 LEU HBy B 12 PHE HBx 1.0 . 6.00 1455 841 B 51 LEU HD21 B 12 PHE HDx 1.0 . 5.50 1456 841 B 12 PHE HDy B 51 LEU HD11 1.0 . 5.50 1457 841 B 51 LEU HD21 B 12 PHE HEy 1.0 . 5.50 1458 841 B 12 PHE HEx B 51 LEU HD11 1.0 . 5.50 1459 841 B 12 PHE HDx B 51 LEU HD11 1.0 . 5.50 1460 841 B 51 LEU HD21 B 12 PHE HEx 1.0 . 5.50 1461 841 B 12 PHE HEy B 51 LEU HD11 1.0 . 5.50 1462 841 B 51 LEU HD21 B 12 PHE HDy 1.0 . 5.50 1463 842 B 40 LEU HD21 A 12 PHE HEx 1.0 . 5.50 1464 842 A 12 PHE HDy B 40 LEU HD11 1.0 . 5.50 1465 842 A 12 PHE HEx B 40 LEU HD11 1.0 . 5.50 1466 842 A 12 PHE HEy B 40 LEU HD11 1.0 . 5.50 1467 842 B 40 LEU HD21 A 12 PHE HEy 1.0 . 5.50 1468 842 A 12 PHE HDx B 40 LEU HD11 1.0 . 5.50 1469 842 B 40 LEU HD21 A 12 PHE HDy 1.0 . 5.50 1470 842 B 40 LEU HD21 A 12 PHE HDx 1.0 . 5.50 1471 843 A 40 LEU HDx% B 12 PHE HEy 1.0 . 5.50 1472 843 A 40 LEU HDy% B 12 PHE HDy 1.0 . 5.50 1473 843 A 40 LEU HDx% B 12 PHE HDx 1.0 . 5.50 1474 843 A 40 LEU HDy% B 12 PHE HEx 1.0 . 5.50 1475 843 B 12 PHE HDy A 40 LEU HDx% 1.0 . 5.50 1476 843 B 12 PHE HEx A 40 LEU HDx% 1.0 . 5.50 1477 843 A 40 LEU HDy% B 12 PHE HDx 1.0 . 5.50 1478 843 A 40 LEU HDy% B 12 PHE HEy 1.0 . 5.50 1479 844 B 22 ALA HB1 A 12 PHE HDy 1.0 . 5.50 1480 844 B 22 ALA HB1 A 12 PHE HEx 1.0 . 5.50 1481 844 B 22 ALA HB1 A 12 PHE HEy 1.0 . 5.50 1482 844 B 22 ALA HB1 A 12 PHE HDx 1.0 . 5.50 1483 845 A 22 ALA HB% B 12 PHE HDx 1.0 . 5.50 1484 845 A 22 ALA HB% B 12 PHE HDy 1.0 . 5.50 1485 845 A 22 ALA HB% B 12 PHE HEx 1.0 . 5.50 1486 845 A 22 ALA HB% B 12 PHE HEy 1.0 . 5.50 1487 846 B 44 ALA H A 15 TRP HH2 1.0 . 5.50 1488 847 A 44 ALA H B 15 TRP HH2 1.0 . 5.50 1489 848 A 12 PHE HA A 14 GLU H 1.0 . 4.50 1490 849 B 12 PHE HA B 14 GLU H 1.0 . 4.50 1491 850 A 12 PHE HEx A 15 TRP HZ2 1.0 . 4.50 1492 851 B 12 PHE HEx B 15 TRP HZ2 1.0 . 4.50 1493 852 A 12 PHE HDy A 15 TRP HZ3 1.0 . 4.50 1494 853 B 12 PHE HDy B 15 TRP HZ3 1.0 . 4.50 1495 854 B 44 ALA HB1 A 15 TRP HE3 1.0 . 4.50 1496 855 A 44 ALA HB% B 15 TRP HE3 1.0 . 4.50 1497 856 A 15 TRP HA B 18 LEU H 1.0 . 5.50 1498 857 A 18 LEU H B 15 TRP HA 1.0 . 5.50 stop_ save_ save_DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _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 18 LEU H A 14 GLU O 1.0 . 1.79 2 2 A 14 GLU O A 18 LEU N 1.0 . 2.68 3 3 A 19 ALA H A 15 TRP O 1.0 . 1.79 4 4 A 15 TRP O A 19 ALA N 1.0 . 2.68 5 5 A 20 GLU H A 16 LYS O 1.0 . 1.79 6 6 A 16 LYS O A 20 GLU N 1.0 . 2.68 7 7 A 21 GLU H A 17 LYS O 1.0 . 1.79 8 8 A 17 LYS O A 21 GLU N 1.0 . 2.68 9 9 A 22 ALA H A 18 LEU O 1.0 . 1.79 10 10 A 18 LEU O A 22 ALA N 1.0 . 2.68 11 11 A 23 ALA H A 19 ALA O 1.0 . 1.79 12 12 A 19 ALA O A 23 ALA N 1.0 . 2.68 13 13 A 24 LYS H A 20 GLU O 1.0 . 1.79 14 14 A 20 GLU O A 24 LYS N 1.0 . 2.68 15 15 A 25 LEU H A 21 GLU O 1.0 . 1.79 16 16 A 21 GLU O A 25 LEU N 1.0 . 2.68 17 17 A 26 LEU H A 22 ALA O 1.0 . 1.79 18 18 A 22 ALA O A 26 LEU N 1.0 . 2.68 19 19 A 27 GLU H A 23 ALA O 1.0 . 1.79 20 20 A 23 ALA O A 27 GLU N 1.0 . 2.68 21 21 A 41 CYS H A 37 LEU O 1.0 . 1.79 22 22 A 37 LEU O A 41 CYS N 1.0 . 2.68 23 23 A 42 GLU H A 38 MET O 1.0 . 1.79 24 24 A 38 MET O A 42 GLU N 1.0 . 2.68 25 25 A 43 GLU H A 39 LYS O 1.0 . 1.79 26 26 A 39 LYS O A 43 GLU N 1.0 . 2.68 27 27 A 44 ALA H A 40 LEU O 1.0 . 1.79 28 28 A 40 LEU O A 44 ALA N 1.0 . 2.68 29 29 A 45 ALA H A 41 CYS O 1.0 . 1.79 30 30 A 41 CYS O A 45 ALA N 1.0 . 2.68 31 31 A 46 LYS H A 42 GLU O 1.0 . 1.79 32 32 A 42 GLU O A 46 LYS N 1.0 . 2.68 33 33 A 47 LYS H A 43 GLU O 1.0 . 1.79 34 34 A 43 GLU O A 47 LYS N 1.0 . 2.68 35 35 A 48 ALA H A 44 ALA O 1.0 . 1.79 36 36 A 44 ALA O A 48 ALA N 1.0 . 2.68 37 37 A 49 GLU H A 45 ALA O 1.0 . 1.79 38 38 A 45 ALA O A 49 GLU N 1.0 . 2.68 39 39 A 50 GLU H A 46 LYS O 1.0 . 1.79 40 40 A 46 LYS O A 50 GLU N 1.0 . 2.68 41 41 B 18 LEU H B 14 GLU O 1.0 . 1.79 42 42 B 14 GLU O B 18 LEU N 1.0 . 2.68 43 43 B 19 ALA H B 15 TRP O 1.0 . 1.79 44 44 B 15 TRP O B 19 ALA N 1.0 . 2.68 45 45 B 20 GLU H B 16 LYS O 1.0 . 1.79 46 46 B 16 LYS O B 20 GLU N 1.0 . 2.68 47 47 B 21 GLU H B 17 LYS O 1.0 . 1.79 48 48 B 17 LYS O B 21 GLU N 1.0 . 2.68 49 49 B 22 ALA H B 18 LEU O 1.0 . 1.79 50 50 B 18 LEU O B 22 ALA N 1.0 . 2.68 51 51 B 23 ALA H B 19 ALA O 1.0 . 1.79 52 52 B 19 ALA O B 23 ALA N 1.0 . 2.68 53 53 B 24 LYS H B 20 GLU O 1.0 . 1.79 54 54 B 20 GLU O B 24 LYS N 1.0 . 2.68 55 55 B 25 LEU H B 21 GLU O 1.0 . 1.79 56 56 B 21 GLU O B 25 LEU N 1.0 . 2.68 57 57 B 26 LEU H B 22 ALA O 1.0 . 1.79 58 58 B 22 ALA O B 26 LEU N 1.0 . 2.68 59 59 B 27 GLU H B 23 ALA O 1.0 . 1.79 60 60 B 23 ALA O B 27 GLU N 1.0 . 2.68 61 61 B 41 CYS H B 37 LEU O 1.0 . 1.79 62 62 B 37 LEU O B 41 CYS N 1.0 . 2.68 63 63 B 42 GLU H B 38 MET O 1.0 . 1.79 64 64 B 38 MET O B 42 GLU N 1.0 . 2.68 65 65 B 43 GLU H B 39 LYS O 1.0 . 1.79 66 66 B 39 LYS O B 43 GLU N 1.0 . 2.68 67 67 B 44 ALA H B 40 LEU O 1.0 . 1.79 68 68 B 40 LEU O B 44 ALA N 1.0 . 2.68 69 69 B 45 ALA H B 41 CYS O 1.0 . 1.79 70 70 B 41 CYS O B 45 ALA N 1.0 . 2.68 71 71 B 46 LYS H B 42 GLU O 1.0 . 1.79 72 72 B 42 GLU O B 46 LYS N 1.0 . 2.68 73 73 B 47 LYS H B 43 GLU O 1.0 . 1.79 74 74 B 43 GLU O B 47 LYS N 1.0 . 2.68 75 75 B 48 ALA H B 44 ALA O 1.0 . 1.79 76 76 B 44 ALA O B 48 ALA N 1.0 . 2.68 77 77 B 49 GLU H B 45 ALA O 1.0 . 1.79 78 78 B 45 ALA O B 49 GLU N 1.0 . 2.68 79 79 B 50 GLU H B 46 LYS O 1.0 . 1.79 80 80 B 46 LYS O B 50 GLU N 1.0 . 2.68 stop_ save_ save_DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 4 LEU C A 5 ARG N A 5 ARG CA A 5 ARG C 1.0 -72.2 -52.2 PHI 2 2 A 5 ARG N A 5 ARG CA A 5 ARG C A 6 GLU N 1.0 -57.2 -27.5 PSI 3 3 A 5 ARG C A 6 GLU N A 6 GLU CA A 6 GLU C 1.0 -74.4 -54.4 PHI 4 4 A 6 GLU N A 6 GLU CA A 6 GLU C A 7 GLU N 1.0 -60.2 -20.6 PSI 5 5 A 6 GLU C A 7 GLU N A 7 GLU CA A 7 GLU C 1.0 -77.8 -51.5 PHI 6 6 A 7 GLU N A 7 GLU CA A 7 GLU C A 8 ALA N 1.0 -57.9 -30.6 PSI 7 7 A 7 GLU C A 8 ALA N A 8 ALA CA A 8 ALA C 1.0 -74.6 -51.6 PHI 8 8 A 8 ALA N A 8 ALA CA A 8 ALA C A 9 ALA N 1.0 -60.4 -20.8 PSI 9 9 A 8 ALA C A 9 ALA N A 9 ALA CA A 9 ALA C 1.0 -81.8 -49.2 PHI 10 10 A 9 ALA N A 9 ALA CA A 9 ALA C A 10 LYS N 1.0 -60.8 -28.9 PSI 11 11 A 9 ALA C A 10 LYS N A 10 LYS CA A 10 LYS C 1.0 -76.7 -56.3 PHI 12 12 A 10 LYS N A 10 LYS CA A 10 LYS C A 11 LEU N 1.0 -54.2 -32.0 PSI 13 13 A 10 LYS C A 11 LEU N A 11 LEU CA A 11 LEU C 1.0 -74.7 -50.7 PHI 14 14 A 11 LEU N A 11 LEU CA A 11 LEU C A 12 PHE N 1.0 -50.5 -30.5 PSI 15 15 A 11 LEU C A 12 PHE N A 12 PHE CA A 12 PHE C 1.0 -77.6 -55.2 PHI 16 16 A 12 PHE N A 12 PHE CA A 12 PHE C A 13 GLU N 1.0 -51.1 -27.3 PSI 17 17 A 12 PHE C A 13 GLU N A 13 GLU CA A 13 GLU C 1.0 -75.1 -48.9 PHI 18 18 A 13 GLU N A 13 GLU CA A 13 GLU C A 14 GLU N 1.0 -62.3 -31.3 PSI 19 19 A 13 GLU C A 14 GLU N A 14 GLU CA A 14 GLU C 1.0 -81.9 -51.7 PHI 20 20 A 14 GLU N A 14 GLU CA A 14 GLU C A 15 TRP N 1.0 -51.8 -25.4 PSI 21 21 A 14 GLU C A 15 TRP N A 15 TRP CA A 15 TRP C 1.0 -78.4 -47.4 PHI 22 22 A 15 TRP N A 15 TRP CA A 15 TRP C A 16 LYS N 1.0 -54.7 -34.7 PSI 23 23 A 15 TRP C A 16 LYS N A 16 LYS CA A 16 LYS C 1.0 -78.3 -47.8 PHI 24 24 A 16 LYS N A 16 LYS CA A 16 LYS C A 17 LYS N 1.0 -58.2 -19.9 PSI 25 25 A 16 LYS C A 17 LYS N A 17 LYS CA A 17 LYS C 1.0 -78.0 -53.8 PHI 26 26 A 17 LYS N A 17 LYS CA A 17 LYS C A 18 LEU N 1.0 -51.5 -27.5 PSI 27 27 A 17 LYS C A 18 LEU N A 18 LEU CA A 18 LEU C 1.0 -75.6 -52.0 PHI 28 28 A 18 LEU N A 18 LEU CA A 18 LEU C A 19 ALA N 1.0 -61.5 -17.3 PSI 29 29 A 18 LEU C A 19 ALA N A 19 ALA CA A 19 ALA C 1.0 -72.8 -52.8 PHI 30 30 A 19 ALA N A 19 ALA CA A 19 ALA C A 20 GLU N 1.0 -50.0 -26.6 PSI 31 31 A 19 ALA C A 20 GLU N A 20 GLU CA A 20 GLU C 1.0 -77.2 -49.1 PHI 32 32 A 20 GLU N A 20 GLU CA A 20 GLU C A 21 GLU N 1.0 -57.8 -29.9 PSI 33 33 A 20 GLU C A 21 GLU N A 21 GLU CA A 21 GLU C 1.0 -77.7 -55.0 PHI 34 34 A 21 GLU N A 21 GLU CA A 21 GLU C A 22 ALA N 1.0 -55.1 -31.0 PSI 35 35 A 21 GLU C A 22 ALA N A 22 ALA CA A 22 ALA C 1.0 -83.0 -49.6 PHI 36 36 A 22 ALA N A 22 ALA CA A 22 ALA C A 23 ALA N 1.0 -53.8 -30.8 PSI 37 37 A 22 ALA C A 23 ALA N A 23 ALA CA A 23 ALA C 1.0 -77.4 -49.2 PHI 38 38 A 23 ALA N A 23 ALA CA A 23 ALA C A 24 LYS N 1.0 -57.8 -29.8 PSI 39 39 A 23 ALA C A 24 LYS N A 24 LYS CA A 24 LYS C 1.0 -73.9 -53.9 PHI 40 40 A 24 LYS N A 24 LYS CA A 24 LYS C A 25 LEU N 1.0 -51.2 -31.2 PSI 41 41 A 24 LYS C A 25 LEU N A 25 LEU CA A 25 LEU C 1.0 -75.4 -55.4 PHI 42 42 A 25 LEU N A 25 LEU CA A 25 LEU C A 26 LEU N 1.0 -50.9 -30.9 PSI 43 43 A 25 LEU C A 26 LEU N A 26 LEU CA A 26 LEU C 1.0 -80.0 -51.3 PHI 44 44 A 26 LEU N A 26 LEU CA A 26 LEU C A 27 GLU N 1.0 -48.6 -15.6 PSI 45 45 A 26 LEU C A 27 GLU N A 27 GLU CA A 27 GLU C 1.0 -98.5 -64.8 PHI 46 46 A 27 GLU N A 27 GLU CA A 27 GLU C A 28 GLY N 1.0 -39.9 22.2 PSI 47 47 A 35 GLY C A 36 GLU N A 36 GLU CA A 36 GLU C 1.0 -83.1 -51.5 PHI 48 48 A 36 GLU N A 36 GLU CA A 36 GLU C A 37 LEU N 1.0 -62.3 -9.9 PSI 49 49 A 36 GLU C A 37 LEU N A 37 LEU CA A 37 LEU C 1.0 -79.1 -49.5 PHI 50 50 A 37 LEU N A 37 LEU CA A 37 LEU C A 38 MET N 1.0 -49.9 -29.6 PSI 51 51 A 37 LEU C A 38 MET N A 38 MET CA A 38 MET C 1.0 -76.5 -51.7 PHI 52 52 A 38 MET N A 38 MET CA A 38 MET C A 39 LYS N 1.0 -50.3 -28.4 PSI 53 53 A 38 MET C A 39 LYS N A 39 LYS CA A 39 LYS C 1.0 -77.0 -52.3 PHI 54 54 A 39 LYS N A 39 LYS CA A 39 LYS C A 40 LEU N 1.0 -55.6 -29.6 PSI 55 55 A 39 LYS C A 40 LEU N A 40 LEU CA A 40 LEU C 1.0 -76.2 -56.1 PHI 56 56 A 40 LEU N A 40 LEU CA A 40 LEU C A 41 CYS N 1.0 -53.7 -26.5 PSI 57 57 A 40 LEU C A 41 CYS N A 41 CYS CA A 41 CYS C 1.0 -75.6 -52.1 PHI 58 58 A 41 CYS N A 41 CYS CA A 41 CYS C A 42 GLU N 1.0 -50.6 -29.5 PSI 59 59 A 41 CYS C A 42 GLU N A 42 GLU CA A 42 GLU C 1.0 -76.2 -54.2 PHI 60 60 A 42 GLU N A 42 GLU CA A 42 GLU C A 43 GLU N 1.0 -56.0 -29.8 PSI 61 61 A 42 GLU C A 43 GLU N A 43 GLU CA A 43 GLU C 1.0 -77.4 -49.5 PHI 62 62 A 43 GLU N A 43 GLU CA A 43 GLU C A 44 ALA N 1.0 -53.8 -31.0 PSI 63 63 A 43 GLU C A 44 ALA N A 44 ALA CA A 44 ALA C 1.0 -79.7 -54.4 PHI 64 64 A 44 ALA N A 44 ALA CA A 44 ALA C A 45 ALA N 1.0 -49.9 -29.9 PSI 65 65 A 44 ALA C A 45 ALA N A 45 ALA CA A 45 ALA C 1.0 -76.4 -48.3 PHI 66 66 A 45 ALA N A 45 ALA CA A 45 ALA C A 46 LYS N 1.0 -59.1 -17.1 PSI 67 67 A 45 ALA C A 46 LYS N A 46 LYS CA A 46 LYS C 1.0 -116.3 -41.5 PHI 68 68 A 46 LYS N A 46 LYS CA A 46 LYS C A 47 LYS N 1.0 -91.9 31.0 PSI 69 69 A 46 LYS C A 47 LYS N A 47 LYS CA A 47 LYS C 1.0 -69.3 -49.3 PHI 70 70 A 47 LYS N A 47 LYS CA A 47 LYS C A 48 ALA N 1.0 -54.7 -25.9 PSI 71 71 A 47 LYS C A 48 ALA N A 48 ALA CA A 48 ALA C 1.0 -76.2 -53.9 PHI 72 72 A 48 ALA N A 48 ALA CA A 48 ALA C A 49 GLU N 1.0 -57.6 -25.7 PSI 73 73 A 48 ALA C A 49 GLU N A 49 GLU CA A 49 GLU C 1.0 -74.8 -53.2 PHI 74 74 A 49 GLU N A 49 GLU CA A 49 GLU C A 50 GLU N 1.0 -54.5 -33.3 PSI 75 75 A 49 GLU C A 50 GLU N A 50 GLU CA A 50 GLU C 1.0 -82.1 -52.7 PHI 76 76 A 50 GLU N A 50 GLU CA A 50 GLU C A 51 LEU N 1.0 -54.7 -25.8 PSI 77 77 A 50 GLU C A 51 LEU N A 51 LEU CA A 51 LEU C 1.0 -75.8 -48.4 PHI 78 78 A 51 LEU N A 51 LEU CA A 51 LEU C A 52 PHE N 1.0 -55.7 -28.4 PSI 79 79 A 51 LEU C A 52 PHE N A 52 PHE CA A 52 PHE C 1.0 -77.5 -52.6 PHI 80 80 A 52 PHE N A 52 PHE CA A 52 PHE C A 53 LYS N 1.0 -53.3 -33.3 PSI 81 81 A 52 PHE C A 53 LYS N A 53 LYS CA A 53 LYS C 1.0 -72.7 -51.2 PHI 82 82 A 53 LYS N A 53 LYS CA A 53 LYS C A 54 LEU N 1.0 -52.1 -32.1 PSI 83 83 A 53 LYS C A 54 LEU N A 54 LEU CA A 54 LEU C 1.0 -77.8 -50.4 PHI 84 84 A 54 LEU N A 54 LEU CA A 54 LEU C A 55 ALA N 1.0 -57.7 -17.0 PSI 85 85 A 54 LEU C A 55 ALA N A 55 ALA CA A 55 ALA C 1.0 -78.9 -51.0 PHI 86 86 A 55 ALA N A 55 ALA CA A 55 ALA C A 56 GLU N 1.0 -58.1 -23.2 PSI 87 87 A 55 ALA C A 56 GLU N A 56 GLU CA A 56 GLU C 1.0 -76.1 -56.1 PHI 88 88 A 56 GLU N A 56 GLU CA A 56 GLU C A 57 GLU N 1.0 -52.2 -29.9 PSI 89 89 A 56 GLU C A 57 GLU N A 57 GLU CA A 57 GLU C 1.0 -77.6 -54.9 PHI 90 90 A 57 GLU N A 57 GLU CA A 57 GLU C A 58 ARG N 1.0 -55.5 -22.9 PSI 91 91 B 4 LEU C B 5 ARG N B 5 ARG CA B 5 ARG C 1.0 -72.2 -52.2 PHI 92 92 B 5 ARG N B 5 ARG CA B 5 ARG C B 6 GLU N 1.0 -57.2 -27.5 PSI 93 93 B 5 ARG C B 6 GLU N B 6 GLU CA B 6 GLU C 1.0 -74.4 -54.4 PHI 94 94 B 6 GLU N B 6 GLU CA B 6 GLU C B 7 GLU N 1.0 -60.2 -20.6 PSI 95 95 B 6 GLU C B 7 GLU N B 7 GLU CA B 7 GLU C 1.0 -77.8 -51.5 PHI 96 96 B 7 GLU N B 7 GLU CA B 7 GLU C B 8 ALA N 1.0 -57.9 -30.6 PSI 97 97 B 7 GLU C B 8 ALA N B 8 ALA CA B 8 ALA C 1.0 -74.6 -51.6 PHI 98 98 B 8 ALA N B 8 ALA CA B 8 ALA C B 9 ALA N 1.0 -60.4 -20.8 PSI 99 99 B 8 ALA C B 9 ALA N B 9 ALA CA B 9 ALA C 1.0 -81.8 -49.2 PHI 100 100 B 9 ALA N B 9 ALA CA B 9 ALA C B 10 LYS N 1.0 -60.8 -28.9 PSI 101 101 B 9 ALA C B 10 LYS N B 10 LYS CA B 10 LYS C 1.0 -76.7 -56.3 PHI 102 102 B 10 LYS N B 10 LYS CA B 10 LYS C B 11 LEU N 1.0 -54.2 -32.0 PSI 103 103 B 10 LYS C B 11 LEU N B 11 LEU CA B 11 LEU C 1.0 -74.7 -50.7 PHI 104 104 B 11 LEU N B 11 LEU CA B 11 LEU C B 12 PHE N 1.0 -50.5 -30.5 PSI 105 105 B 11 LEU C B 12 PHE N B 12 PHE CA B 12 PHE C 1.0 -77.6 -55.2 PHI 106 106 B 12 PHE N B 12 PHE CA B 12 PHE C B 13 GLU N 1.0 -51.1 -27.3 PSI 107 107 B 12 PHE C B 13 GLU N B 13 GLU CA B 13 GLU C 1.0 -75.1 -48.9 PHI 108 108 B 13 GLU N B 13 GLU CA B 13 GLU C B 14 GLU N 1.0 -62.3 -31.3 PSI 109 109 B 13 GLU C B 14 GLU N B 14 GLU CA B 14 GLU C 1.0 -81.9 -51.7 PHI 110 110 B 14 GLU N B 14 GLU CA B 14 GLU C B 15 TRP N 1.0 -51.8 -25.4 PSI 111 111 B 14 GLU C B 15 TRP N B 15 TRP CA B 15 TRP C 1.0 -78.4 -47.4 PHI 112 112 B 15 TRP N B 15 TRP CA B 15 TRP C B 16 LYS N 1.0 -54.7 -34.7 PSI 113 113 B 15 TRP C B 16 LYS N B 16 LYS CA B 16 LYS C 1.0 -78.3 -47.8 PHI 114 114 B 16 LYS N B 16 LYS CA B 16 LYS C B 17 LYS N 1.0 -58.2 -19.9 PSI 115 115 B 16 LYS C B 17 LYS N B 17 LYS CA B 17 LYS C 1.0 -78.0 -53.8 PHI 116 116 B 17 LYS N B 17 LYS CA B 17 LYS C B 18 LEU N 1.0 -51.5 -27.5 PSI 117 117 B 17 LYS C B 18 LEU N B 18 LEU CA B 18 LEU C 1.0 -75.6 -52.0 PHI 118 118 B 18 LEU N B 18 LEU CA B 18 LEU C B 19 ALA N 1.0 -61.5 -17.3 PSI 119 119 B 18 LEU C B 19 ALA N B 19 ALA CA B 19 ALA C 1.0 -72.8 -52.8 PHI 120 120 B 19 ALA N B 19 ALA CA B 19 ALA C B 20 GLU N 1.0 -50.0 -26.6 PSI 121 121 B 19 ALA C B 20 GLU N B 20 GLU CA B 20 GLU C 1.0 -77.2 -49.1 PHI 122 122 B 20 GLU N B 20 GLU CA B 20 GLU C B 21 GLU N 1.0 -57.8 -29.9 PSI 123 123 B 20 GLU C B 21 GLU N B 21 GLU CA B 21 GLU C 1.0 -77.7 -55.0 PHI 124 124 B 21 GLU N B 21 GLU CA B 21 GLU C B 22 ALA N 1.0 -55.1 -31.0 PSI 125 125 B 21 GLU C B 22 ALA N B 22 ALA CA B 22 ALA C 1.0 -83.0 -49.6 PHI 126 126 B 22 ALA N B 22 ALA CA B 22 ALA C B 23 ALA N 1.0 -53.8 -30.8 PSI 127 127 B 22 ALA C B 23 ALA N B 23 ALA CA B 23 ALA C 1.0 -77.4 -49.2 PHI 128 128 B 23 ALA N B 23 ALA CA B 23 ALA C B 24 LYS N 1.0 -57.8 -29.8 PSI 129 129 B 23 ALA C B 24 LYS N B 24 LYS CA B 24 LYS C 1.0 -73.9 -53.9 PHI 130 130 B 24 LYS N B 24 LYS CA B 24 LYS C B 25 LEU N 1.0 -51.2 -31.2 PSI 131 131 B 24 LYS C B 25 LEU N B 25 LEU CA B 25 LEU C 1.0 -75.4 -55.4 PHI 132 132 B 25 LEU N B 25 LEU CA B 25 LEU C B 26 LEU N 1.0 -50.9 -30.9 PSI 133 133 B 25 LEU C B 26 LEU N B 26 LEU CA B 26 LEU C 1.0 -80.0 -51.3 PHI 134 134 B 26 LEU N B 26 LEU CA B 26 LEU C B 27 GLU N 1.0 -48.6 -15.6 PSI 135 135 B 26 LEU C B 27 GLU N B 27 GLU CA B 27 GLU C 1.0 -98.5 -64.8 PHI 136 136 B 27 GLU N B 27 GLU CA B 27 GLU C B 28 GLY N 1.0 -39.9 22.2 PSI 137 137 B 35 GLY C B 36 GLU N B 36 GLU CA B 36 GLU C 1.0 -83.1 -51.5 PHI 138 138 B 36 GLU N B 36 GLU CA B 36 GLU C B 37 LEU N 1.0 -62.3 -9.9 PSI 139 139 B 36 GLU C B 37 LEU N B 37 LEU CA B 37 LEU C 1.0 -79.1 -49.5 PHI 140 140 B 37 LEU N B 37 LEU CA B 37 LEU C B 38 MET N 1.0 -49.9 -29.6 PSI 141 141 B 37 LEU C B 38 MET N B 38 MET CA B 38 MET C 1.0 -76.5 -51.7 PHI 142 142 B 38 MET N B 38 MET CA B 38 MET C B 39 LYS N 1.0 -50.3 -28.4 PSI 143 143 B 38 MET C B 39 LYS N B 39 LYS CA B 39 LYS C 1.0 -77.0 -52.3 PHI 144 144 B 39 LYS N B 39 LYS CA B 39 LYS C B 40 LEU N 1.0 -55.6 -29.6 PSI 145 145 B 39 LYS C B 40 LEU N B 40 LEU CA B 40 LEU C 1.0 -76.2 -56.1 PHI 146 146 B 40 LEU N B 40 LEU CA B 40 LEU C B 41 CYS N 1.0 -53.7 -26.5 PSI 147 147 B 40 LEU C B 41 CYS N B 41 CYS CA B 41 CYS C 1.0 -75.6 -52.1 PHI 148 148 B 41 CYS N B 41 CYS CA B 41 CYS C B 42 GLU N 1.0 -50.6 -29.5 PSI 149 149 B 41 CYS C B 42 GLU N B 42 GLU CA B 42 GLU C 1.0 -76.2 -54.2 PHI 150 150 B 42 GLU N B 42 GLU CA B 42 GLU C B 43 GLU N 1.0 -56.0 -29.8 PSI 151 151 B 42 GLU C B 43 GLU N B 43 GLU CA B 43 GLU C 1.0 -77.4 -49.5 PHI 152 152 B 43 GLU N B 43 GLU CA B 43 GLU C B 44 ALA N 1.0 -53.8 -31.0 PSI 153 153 B 43 GLU C B 44 ALA N B 44 ALA CA B 44 ALA C 1.0 -79.7 -54.4 PHI 154 154 B 44 ALA N B 44 ALA CA B 44 ALA C B 45 ALA N 1.0 -49.9 -29.9 PSI 155 155 B 44 ALA C B 45 ALA N B 45 ALA CA B 45 ALA C 1.0 -76.4 -48.3 PHI 156 156 B 45 ALA N B 45 ALA CA B 45 ALA C B 46 LYS N 1.0 -59.1 -17.1 PSI 157 157 B 45 ALA C B 46 LYS N B 46 LYS CA B 46 LYS C 1.0 -116.3 -41.5 PHI 158 158 B 46 LYS N B 46 LYS CA B 46 LYS C B 47 LYS N 1.0 -91.9 31.0 PSI 159 159 B 46 LYS C B 47 LYS N B 47 LYS CA B 47 LYS C 1.0 -69.3 -49.3 PHI 160 160 B 47 LYS N B 47 LYS CA B 47 LYS C B 48 ALA N 1.0 -54.7 -25.9 PSI 161 161 B 47 LYS C B 48 ALA N B 48 ALA CA B 48 ALA C 1.0 -76.2 -53.9 PHI 162 162 B 48 ALA N B 48 ALA CA B 48 ALA C B 49 GLU N 1.0 -57.6 -25.7 PSI 163 163 B 48 ALA C B 49 GLU N B 49 GLU CA B 49 GLU C 1.0 -74.8 -53.2 PHI 164 164 B 49 GLU N B 49 GLU CA B 49 GLU C B 50 GLU N 1.0 -54.5 -33.3 PSI 165 165 B 49 GLU C B 50 GLU N B 50 GLU CA B 50 GLU C 1.0 -82.1 -52.7 PHI 166 166 B 50 GLU N B 50 GLU CA B 50 GLU C B 51 LEU N 1.0 -54.7 -25.8 PSI 167 167 B 50 GLU C B 51 LEU N B 51 LEU CA B 51 LEU C 1.0 -75.8 -48.4 PHI 168 168 B 51 LEU N B 51 LEU CA B 51 LEU C B 52 PHE N 1.0 -55.7 -28.4 PSI 169 169 B 51 LEU C B 52 PHE N B 52 PHE CA B 52 PHE C 1.0 -77.5 -52.6 PHI 170 170 B 52 PHE N B 52 PHE CA B 52 PHE C B 53 LYS N 1.0 -53.3 -33.3 PSI 171 171 B 52 PHE C B 53 LYS N B 53 LYS CA B 53 LYS C 1.0 -72.7 -51.2 PHI 172 172 B 53 LYS N B 53 LYS CA B 53 LYS C B 54 LEU N 1.0 -52.1 -32.1 PSI 173 173 B 53 LYS C B 54 LEU N B 54 LEU CA B 54 LEU C 1.0 -77.8 -50.4 PHI 174 174 B 54 LEU N B 54 LEU CA B 54 LEU C B 55 ALA N 1.0 -57.7 -17.0 PSI 175 175 B 54 LEU C B 55 ALA N B 55 ALA CA B 55 ALA C 1.0 -78.9 -51.0 PHI 176 176 B 55 ALA N B 55 ALA CA B 55 ALA C B 56 GLU N 1.0 -58.1 -23.2 PSI 177 177 B 55 ALA C B 56 GLU N B 56 GLU CA B 56 GLU C 1.0 -76.1 -56.1 PHI 178 178 B 56 GLU N B 56 GLU CA B 56 GLU C B 57 GLU N 1.0 -52.2 -29.9 PSI 179 179 B 56 GLU C B 57 GLU N B 57 GLU CA B 57 GLU C 1.0 -77.6 -54.9 PHI 180 180 B 57 GLU N B 57 GLU CA B 57 GLU C B 58 ARG N 1.0 -55.5 -22.9 PSI stop_ save_