NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
2107 | 1bei | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ARG 1 1H ARG 1 -1.294 17.714 17.714 2 2H ARG 1 3H ARG 1 0.285 18.317 18.317 3 3H ARG 1 2H ARG 1 -0.494 18.302 18.302 4 HA ARG 1 HA ARG 1 0.238 16.219 16.219 5 1HB ARG 1 2HB ARG 1 2.204 16.996 16.996 6 2HB ARG 1 1HB ARG 1 1.334 16.266 16.266 7 1HG ARG 1 2HG ARG 1 1.405 14.056 14.056 8 2HG ARG 1 1HG ARG 1 2.449 14.813 14.813 9 1HD ARG 1 2HD ARG 1 4.114 15.315 15.315 10 2HD ARG 1 1HD ARG 1 3.012 14.491 14.491 11 HE ARG 1 HE ARG 1 3.320 12.403 12.403 12 1HH1 ARG 1 1HH2 ARG 1 5.099 14.723 14.723 13 2HH1 ARG 1 2HH2 ARG 1 6.584 13.849 13.849 14 1HH2 ARG 1 1HH1 ARG 1 5.160 11.305 11.305 15 2HH2 ARG 1 2HH1 ARG 1 6.647 11.725 11.725 16 H SER 2 H SER 2 -1.883 15.438 15.438 17 HA SER 2 HA SER 2 -2.987 14.176 14.176 18 1HB SER 2 2HB SER 2 -4.629 15.215 15.215 19 2HB SER 2 1HB SER 2 -5.159 14.899 14.899 20 HG SER 2 HG SER 2 -4.744 17.016 17.016 21 H CYS 3 H CYS 3 -2.916 11.950 11.950 22 HA CYS 3 HA CYS 3 -3.321 10.740 10.740 23 1HB CYS 3 2HB CYS 3 -1.568 9.097 9.097 24 2HB CYS 3 1HB CYS 3 -0.980 10.670 10.670 25 H ILE 4 H ILE 4 -4.338 8.776 8.776 26 HA ILE 4 HA ILE 4 -5.561 8.067 8.067 27 HB ILE 4 HB ILE 4 -7.807 7.977 7.977 28 1HG1 ILE 4 2HG1 ILE 4 -7.813 9.374 9.374 29 2HG1 ILE 4 1HG1 ILE 4 -6.273 8.564 8.564 30 1HG2 ILE 4 1HG2 ILE 4 -7.120 10.094 10.094 31 2HG2 ILE 4 3HG2 ILE 4 -6.479 10.686 10.686 32 3HG2 ILE 4 2HG2 ILE 4 -8.198 10.408 10.408 33 1HD1 ILE 4 3HD1 ILE 4 -8.887 7.131 7.131 34 2HD1 ILE 4 2HD1 ILE 4 -8.098 7.190 7.190 35 3HD1 ILE 4 1HD1 ILE 4 -7.342 6.350 6.350 36 H ASP 5 H ASP 5 -6.010 5.932 5.932 37 HA ASP 5 HA ASP 5 -4.714 4.073 4.073 38 1HB ASP 5 2HB ASP 5 -6.654 3.357 3.357 39 2HB ASP 5 1HB ASP 5 -5.375 2.359 2.359 40 H THR 6 H THR 6 -5.816 2.401 2.401 41 HA THR 6 HA THR 6 -8.762 2.616 2.616 42 HB THR 6 HB THR 6 -7.797 4.176 4.176 43 HG1 THR 6 1HG THR 6 -8.844 1.715 1.715 44 1HG2 THR 6 1HG2 THR 6 -6.255 1.751 1.751 45 2HG2 THR 6 3HG2 THR 6 -6.289 3.355 3.355 46 3HG2 THR 6 2HG2 THR 6 -5.499 3.096 3.096 47 H ILE 7 H ILE 7 -6.836 0.932 0.932 48 HA ILE 7 HA ILE 7 -7.396 -1.625 -1.625 49 HB ILE 7 HB ILE 7 -5.033 -0.753 -0.753 50 1HG1 ILE 7 2HG1 ILE 7 -3.782 -2.742 -2.742 51 2HG1 ILE 7 1HG1 ILE 7 -5.334 -3.309 -3.309 52 1HG2 ILE 7 3HG2 ILE 7 -4.925 0.430 0.430 53 2HG2 ILE 7 2HG2 ILE 7 -4.893 -1.120 -1.120 54 3HG2 ILE 7 1HG2 ILE 7 -3.602 -0.666 -0.666 55 1HD1 ILE 7 3HD1 ILE 7 -6.144 -3.306 -3.306 56 2HD1 ILE 7 2HD1 ILE 7 -4.544 -2.781 -2.781 57 3HD1 ILE 7 1HD1 ILE 7 -4.764 -4.361 -4.361 58 HA PRO 8 HA PRO 8 -8.447 -2.960 -2.960 59 1HB PRO 8 2HB PRO 8 -8.099 -5.616 -5.616 60 2HB PRO 8 1HB PRO 8 -9.534 -4.844 -4.844 61 1HG PRO 8 2HG PRO 8 -6.843 -5.351 -5.351 62 2HG PRO 8 1HG PRO 8 -8.442 -5.940 -5.940 63 1HD PRO 8 2HD PRO 8 -7.622 -3.675 -3.675 64 2HD PRO 8 1HD PRO 8 -9.267 -3.693 -3.693 65 H LYS 9 H LYS 9 -7.052 -2.549 -2.549 66 HA LYS 9 HA LYS 9 -4.248 -2.479 -2.479 67 1HB LYS 9 2HB LYS 9 -5.638 -1.484 -1.484 68 2HB LYS 9 1HB LYS 9 -5.893 -3.092 -3.092 69 1HG LYS 9 2HG LYS 9 -3.055 -2.310 -2.310 70 2HG LYS 9 1HG LYS 9 -3.861 -1.525 -1.525 71 1HD LYS 9 2HD LYS 9 -4.186 -3.681 -3.681 72 2HD LYS 9 1HD LYS 9 -3.664 -4.537 -4.537 73 1HE LYS 9 2HE LYS 9 -1.752 -4.372 -4.372 74 2HE LYS 9 1HE LYS 9 -1.389 -3.524 -3.524 75 1HZ LYS 9 3HZ LYS 9 -2.709 -1.717 -1.717 76 2HZ LYS 9 2HZ LYS 9 -1.447 -2.444 -2.444 77 3HZ LYS 9 1HZ LYS 9 -1.135 -1.625 -1.625 78 H SER 10 H SER 10 -6.440 -4.884 -4.884 79 HA SER 10 HA SER 10 -5.106 -6.958 -6.958 80 1HB SER 10 2HB SER 10 -6.857 -7.613 -7.613 81 2HB SER 10 1HB SER 10 -7.012 -8.218 -8.218 82 HG SER 10 HG SER 10 -8.537 -6.701 -6.701 83 H ARG 11 H ARG 11 -5.000 -5.830 -5.830 84 HA ARG 11 HA ARG 11 -3.253 -7.926 -7.926 85 1HB ARG 11 2HB ARG 11 -5.044 -6.268 -6.268 86 2HB ARG 11 1HB ARG 11 -3.634 -5.234 -5.234 87 1HG ARG 11 2HG ARG 11 -3.832 -6.452 -6.452 88 2HG ARG 11 1HG ARG 11 -2.413 -6.937 -6.937 89 1HD ARG 11 2HD ARG 11 -3.488 -8.971 -8.971 90 2HD ARG 11 1HD ARG 11 -5.004 -8.531 -8.531 91 HE ARG 11 HE ARG 11 -2.437 -8.962 -8.962 92 1HH1 ARG 11 1HH2 ARG 11 -4.818 -8.129 -8.129 93 2HH1 ARG 11 2HH2 ARG 11 -5.433 -9.594 -9.594 94 1HH2 ARG 11 2HH1 ARG 11 -3.539 -11.458 -11.458 95 2HH2 ARG 11 1HH1 ARG 11 -4.661 -11.679 -11.679 96 H CYS 12 H CYS 12 -2.976 -4.685 -4.685 97 HA CYS 12 HA CYS 12 -0.016 -4.798 -4.798 98 1HB CYS 12 2HB CYS 12 -1.938 -2.604 -2.604 99 2HB CYS 12 1HB CYS 12 -0.551 -2.412 -2.412 100 H THR 13 H THR 13 -0.965 -6.653 -6.653 101 HA THR 13 HA THR 13 -0.766 -6.001 -6.001 102 HB THR 13 HB THR 13 -2.036 -8.009 -8.009 103 HG1 THR 13 1HG THR 13 -0.125 -9.498 -9.498 104 1HG2 THR 13 3HG2 THR 13 0.554 -9.074 -9.074 105 2HG2 THR 13 2HG2 THR 13 -0.976 -9.936 -9.936 106 3HG2 THR 13 1HG2 THR 13 -0.882 -8.543 -8.543 107 H ALA 14 H ALA 14 0.974 -7.038 -7.038 108 HA ALA 14 HA ALA 14 3.462 -5.821 -5.821 109 1HB ALA 14 3HB ALA 14 2.979 -8.341 -8.341 110 2HB ALA 14 2HB ALA 14 4.414 -7.334 -7.334 111 3HB ALA 14 1HB ALA 14 2.871 -6.691 -6.691 112 H PHE 15 H PHE 15 2.163 -8.683 -8.683 113 HA PHE 15 HA PHE 15 4.648 -9.912 -9.912 114 1HB PHE 15 2HB PHE 15 2.034 -10.885 -10.885 115 2HB PHE 15 1HB PHE 15 3.371 -11.786 -11.786 116 HD1 PHE 15 1HD PHE 15 3.630 -10.579 -10.579 117 HD2 PHE 15 2HD PHE 15 0.150 -11.651 -11.651 118 HE1 PHE 15 1HE PHE 15 2.378 -10.875 -10.875 119 HE2 PHE 15 2HE PHE 15 -1.092 -11.939 -11.939 120 HZ PHE 15 HZ PHE 15 0.017 -11.547 -11.547 121 H GLN 16 H GLN 16 2.378 -7.736 -7.736 122 HA GLN 16 HA GLN 16 3.748 -7.989 -7.989 123 1HB GLN 16 2HB GLN 16 1.043 -6.851 -6.851 124 2HB GLN 16 1HB GLN 16 1.799 -7.744 -7.744 125 1HG GLN 16 2HG GLN 16 1.900 -9.680 -9.680 126 2HG GLN 16 1HG GLN 16 0.393 -8.886 -8.886 127 1HE2 GLN 16 2HE2 GLN 16 0.658 -10.935 -10.935 128 2HE2 GLN 16 1HE2 GLN 16 2.053 -10.682 -10.682 129 H CYS 17 H CYS 17 3.127 -6.117 -6.117 130 HA CYS 17 HA CYS 17 2.917 -3.467 -3.467 131 1HB CYS 17 2HB CYS 17 2.214 -4.101 -4.101 132 2HB CYS 17 1HB CYS 17 3.884 -4.171 -4.171 133 H LYS 18 H LYS 18 5.563 -5.292 -5.292 134 HA LYS 18 HA LYS 18 7.492 -3.354 -3.354 135 1HB LYS 18 2HB LYS 18 7.642 -3.497 -3.497 136 2HB LYS 18 1HB LYS 18 7.753 -5.237 -5.237 137 1HG LYS 18 2HG LYS 18 10.007 -5.077 -5.077 138 2HG LYS 18 1HG LYS 18 9.896 -3.325 -3.325 139 1HD LYS 18 2HD LYS 18 10.074 -3.290 -3.290 140 2HD LYS 18 1HD LYS 18 9.475 -4.925 -4.925 141 1HE LYS 18 2HE LYS 18 11.901 -4.818 -4.818 142 2HE LYS 18 1HE LYS 18 11.563 -5.865 -5.865 143 1HZ LYS 18 3HZ LYS 18 11.979 -3.249 -3.249 144 2HZ LYS 18 2HZ LYS 18 13.253 -3.638 -3.638 145 3HZ LYS 18 1HZ LYS 18 12.906 -4.638 -4.638 146 H HIS 19 H HIS 19 6.003 -5.599 -5.599 147 HA HIS 19 HA HIS 19 8.225 -7.158 -7.158 148 1HB HIS 19 2HB HIS 19 5.979 -8.163 -8.163 149 2HB HIS 19 1HB HIS 19 6.195 -9.063 -9.063 150 HD1 HIS 19 1HD HIS 19 8.572 -10.026 -10.026 151 HD2 HIS 19 2HD HIS 19 7.755 -8.659 -8.659 152 HE1 HIS 19 1HE HIS 19 10.265 -10.956 -10.956 153 H SER 20 H SER 20 4.845 -6.302 -6.302 154 HA SER 20 HA SER 20 4.970 -6.474 -6.474 155 1HB SER 20 2HB SER 20 2.471 -6.427 -6.427 156 2HB SER 20 1HB SER 20 2.575 -6.866 -6.866 157 HG SER 20 HG SER 20 4.306 -8.310 -8.310 158 H MET 21 H MET 21 5.985 -4.359 -4.359 159 HA MET 21 HA MET 21 4.607 -1.938 -1.938 160 1HB MET 21 2HB MET 21 6.231 -0.848 -0.848 161 2HB MET 21 1HB MET 21 7.047 -1.985 -1.985 162 1HG MET 21 2HG MET 21 7.722 -3.239 -3.239 163 2HG MET 21 1HG MET 21 6.119 -3.392 -3.392 164 1HE MET 21 3HE MET 21 4.962 -1.351 -1.351 165 2HE MET 21 2HE MET 21 5.876 0.119 0.119 166 3HE MET 21 1HE MET 21 5.608 -0.423 -0.423 167 1HN DNP 22 HN DAP 22 4.009 -4.155 -4.155 168 HA DNP 22 HA DAP 22 2.711 -2.452 -2.452 169 1HB DNP 22 1HB DAP 22 2.900 -4.800 -4.800 170 2HB DNP 22 2HB DAP 22 1.186 -4.449 -4.449 171 1HG DNP 22 1HG DAP 22 2.149 -5.119 -5.119 172 2HG DNP 22 2HG DAP 22 2.748 -6.302 -6.302 173 3HG DNP 22 3HG DAP 22 1.083 -5.993 -5.993 174 H TYR 23 H TYR 23 1.933 -3.136 -3.136 175 HA TYR 23 HA TYR 23 -0.726 -1.881 -1.881 176 1HB TYR 23 2HB TYR 23 0.175 -3.562 -3.562 177 2HB TYR 23 1HB TYR 23 -1.461 -3.157 -3.157 178 HD1 TYR 23 2HD TYR 23 -1.662 -4.014 -4.014 179 HD2 TYR 23 1HD TYR 23 0.290 -5.838 -5.838 180 HE1 TYR 23 2HE TYR 23 -1.935 -6.216 -6.216 181 HE2 TYR 23 1HE TYR 23 0.027 -8.030 -8.030 182 HH TYR 23 HH TYR 23 -0.936 -8.527 -8.527 183 H ARG 24 H ARG 24 1.900 -2.318 -2.318 184 HA ARG 24 HA ARG 24 1.612 0.049 0.049 185 1HB ARG 24 2HB ARG 24 3.100 -2.229 -2.229 186 2HB ARG 24 1HB ARG 24 4.345 -1.161 -1.161 187 1HG ARG 24 2HG ARG 24 2.682 0.000 0.000 188 2HG ARG 24 1HG ARG 24 3.554 -1.400 -1.400 189 1HD ARG 24 2HD ARG 24 5.273 0.393 0.393 190 2HD ARG 24 1HD ARG 24 4.481 1.230 1.230 191 HE ARG 24 HE ARG 24 6.085 -1.263 -1.263 192 1HH1 ARG 24 1HH2 ARG 24 4.222 -0.352 -0.352 193 2HH1 ARG 24 2HH2 ARG 24 5.195 0.485 0.485 194 1HH2 ARG 24 2HH1 ARG 24 7.774 0.644 0.644 195 2HH2 ARG 24 1HH1 ARG 24 7.483 1.096 1.096 196 H LEU 25 H LEU 25 2.300 0.047 0.047 197 HA LEU 25 HA LEU 25 4.278 2.190 2.190 198 1HB LEU 25 2HB LEU 25 4.162 0.757 0.757 199 2HB LEU 25 1HB LEU 25 2.490 0.731 0.731 200 HG LEU 25 HG LEU 25 3.255 3.501 3.501 201 1HD1 LEU 25 1HD1 LEU 25 5.618 2.773 2.773 202 2HD1 LEU 25 3HD1 LEU 25 5.189 1.675 1.675 203 3HD1 LEU 25 2HD1 LEU 25 5.009 3.399 3.399 204 1HD2 LEU 25 3HD2 LEU 25 1.483 2.235 2.235 205 2HD2 LEU 25 2HD2 LEU 25 2.596 3.019 3.019 206 3HD2 LEU 25 1HD2 LEU 25 2.735 1.295 1.295 207 H SER 26 H SER 26 1.280 2.276 2.276 208 HA SER 26 HA SER 26 0.437 4.649 4.649 209 1HB SER 26 2HB SER 26 1.218 4.688 4.688 210 2HB SER 26 1HB SER 26 -0.528 4.981 4.981 211 HG SER 26 HG SER 26 1.406 6.646 6.646 212 H PHE 27 H PHE 27 -0.339 1.599 1.599 213 HA PHE 27 HA PHE 27 -3.227 2.056 2.056 214 1HB PHE 27 2HB PHE 27 -1.897 -0.485 -0.485 215 2HB PHE 27 1HB PHE 27 -3.499 -0.303 -0.303 216 HD1 PHE 27 1HD PHE 27 -0.499 1.134 1.134 217 HD2 PHE 27 2HD PHE 27 -3.466 -1.926 -1.926 218 HE1 PHE 27 1HE PHE 27 0.121 0.394 0.394 219 HE2 PHE 27 2HE PHE 27 -2.835 -2.655 -2.655 220 HZ PHE 27 HZ PHE 27 -1.024 -1.512 -1.512 221 H CYS 28 H CYS 28 -1.051 1.047 1.047 222 HA CYS 28 HA CYS 28 -3.195 1.720 1.720 223 1HB CYS 28 2HB CYS 28 -0.771 0.338 0.338 224 2HB CYS 28 1HB CYS 28 -2.449 -0.038 -0.038 225 H ARG 29 H ARG 29 -1.924 3.635 3.635 226 HA ARG 29 HA ARG 29 0.294 4.911 4.911 227 1HB ARG 29 2HB ARG 29 -2.538 5.650 5.650 228 2HB ARG 29 1HB ARG 29 -1.417 6.924 6.924 229 1HG ARG 29 2HG ARG 29 -0.232 6.368 6.368 230 2HG ARG 29 1HG ARG 29 -1.213 4.913 4.913 231 1HD ARG 29 2HD ARG 29 -3.091 5.956 5.956 232 2HD ARG 29 1HD ARG 29 -2.623 7.530 7.530 233 HE ARG 29 HE ARG 29 -0.840 6.948 6.948 234 1HH1 ARG 29 1HH2 ARG 29 -3.284 5.313 5.313 235 2HH1 ARG 29 2HH2 ARG 29 -4.219 6.289 6.289 236 1HH2 ARG 29 2HH1 ARG 29 -2.158 9.093 9.093 237 2HH2 ARG 29 1HH1 ARG 29 -3.456 8.653 8.653 238 H LYS 30 H LYS 30 -2.383 5.283 5.283 239 HA LYS 30 HA LYS 30 -0.550 6.347 6.347 240 1HB LYS 30 2HB LYS 30 -3.467 6.027 6.027 241 2HB LYS 30 1HB LYS 30 -2.421 7.416 7.416 242 1HG LYS 30 2HG LYS 30 -2.603 7.633 7.633 243 2HG LYS 30 1HG LYS 30 -3.963 6.552 6.552 244 1HD LYS 30 2HD LYS 30 -4.896 8.753 8.753 245 2HD LYS 30 1HD LYS 30 -4.989 8.215 8.215 246 1HE LYS 30 2HE LYS 30 -2.427 9.597 9.597 247 2HE LYS 30 1HE LYS 30 -3.869 10.598 10.598 248 1HZ LYS 30 1HZ LYS 30 -3.950 9.129 9.129 249 2HZ LYS 30 3HZ LYS 30 -2.353 9.694 9.694 250 3HZ LYS 30 2HZ LYS 30 -3.656 10.788 10.788 251 H THR 31 H THR 31 -3.019 4.003 4.003 252 HA THR 31 HA THR 31 -3.232 2.409 2.409 253 HB THR 31 HB THR 31 -2.918 1.592 1.592 254 HG1 THR 31 1HG THR 31 -4.827 2.673 2.673 255 1HG2 THR 31 2HG2 THR 31 -3.809 -0.127 -0.127 256 2HG2 THR 31 1HG2 THR 31 -3.820 -0.538 -0.538 257 3HG2 THR 31 3HG2 THR 31 -2.283 -0.394 -0.394 258 H CYS 32 H CYS 32 -0.348 2.463 2.463 259 HA CYS 32 HA CYS 32 0.964 0.628 0.628 260 1HB CYS 32 2HB CYS 32 1.186 0.989 0.989 261 2HB CYS 32 1HB CYS 32 2.709 0.823 0.823 262 H GLY 33 H GLY 33 1.289 3.534 3.534 263 1HA GLY 33 2HA GLY 33 2.127 5.564 5.564 264 2HA GLY 33 1HA GLY 33 3.220 4.517 4.517 265 H THR 34 H THR 34 2.398 4.891 4.891 266 HA THR 34 HA THR 34 5.268 5.446 5.446 267 HB THR 34 HB THR 34 4.175 4.246 4.246 268 HG1 THR 34 1HG THR 34 2.912 2.790 2.790 269 1HG2 THR 34 1HG2 THR 34 5.649 2.882 2.882 270 2HG2 THR 34 3HG2 THR 34 5.617 2.347 2.347 271 3HG2 THR 34 2HG2 THR 34 6.466 3.803 3.803 272 H CYS 35 HN CYS 35 2.298 7.026 7.026 273 HA CYS 35 HA CYS 35 3.150 8.396 8.396 274 1HB CYS 35 2HB CYS 35 0.960 8.946 8.946 275 2HB CYS 35 1HB CYS 35 0.951 7.255 7.255 Start of MODEL 2 1 1H ARG 1 3H ARG 1 1.044 13.294 13.294 2 2H ARG 1 2H ARG 1 2.039 14.604 14.604 3 3H ARG 1 1H ARG 1 2.378 13.642 13.642 4 HA ARG 1 HA ARG 1 1.172 14.967 14.967 5 1HB ARG 1 2HB ARG 1 0.738 16.509 16.509 6 2HB ARG 1 1HB ARG 1 -0.316 16.862 16.862 7 1HG ARG 1 2HG ARG 1 2.137 17.054 17.054 8 2HG ARG 1 1HG ARG 1 2.579 17.540 17.540 9 1HD ARG 1 2HD ARG 1 0.732 19.249 19.249 10 2HD ARG 1 1HD ARG 1 0.236 18.729 18.729 11 HE ARG 1 HE ARG 1 2.602 19.488 19.488 12 1HH1 ARG 1 1HH2 ARG 1 3.611 20.365 20.365 13 2HH1 ARG 1 2HH2 ARG 1 3.255 22.047 22.047 14 1HH2 ARG 1 1HH1 ARG 1 0.818 21.687 21.687 15 2HH2 ARG 1 2HH1 ARG 1 1.519 22.866 22.866 16 H SER 2 H SER 2 -1.028 14.936 14.936 17 HA SER 2 HA SER 2 -3.125 13.872 13.872 18 1HB SER 2 2HB SER 2 -3.477 15.045 15.045 19 2HB SER 2 1HB SER 2 -4.756 14.672 14.672 20 HG SER 2 HG SER 2 -4.368 16.698 16.698 21 H CYS 3 H CYS 3 -3.916 11.878 11.878 22 HA CYS 3 HA CYS 3 -3.757 10.531 10.531 23 1HB CYS 3 2HB CYS 3 -2.034 8.838 8.838 24 2HB CYS 3 1HB CYS 3 -1.371 10.410 10.410 25 H ILE 4 H ILE 4 -4.802 8.544 8.544 26 HA ILE 4 HA ILE 4 -5.825 7.771 7.771 27 HB ILE 4 HB ILE 4 -8.135 7.632 7.632 28 1HG1 ILE 4 2HG1 ILE 4 -8.310 9.273 9.273 29 2HG1 ILE 4 1HG1 ILE 4 -6.659 8.790 8.790 30 1HG2 ILE 4 3HG2 ILE 4 -7.559 9.619 9.619 31 2HG2 ILE 4 2HG2 ILE 4 -6.931 10.428 10.428 32 3HG2 ILE 4 1HG2 ILE 4 -8.641 10.061 10.061 33 1HD1 ILE 4 1HD1 ILE 4 -8.986 6.834 6.834 34 2HD1 ILE 4 3HD1 ILE 4 -8.225 7.261 7.261 35 3HD1 ILE 4 2HD1 ILE 4 -7.344 6.360 6.360 36 H ASP 5 H ASP 5 -6.203 5.470 5.470 37 HA ASP 5 HA ASP 5 -4.696 3.997 3.997 38 1HB ASP 5 2HB ASP 5 -6.574 2.896 2.896 39 2HB ASP 5 1HB ASP 5 -5.177 2.112 2.112 40 H THR 6 H THR 6 -5.690 2.178 2.178 41 HA THR 6 HA THR 6 -8.594 2.462 2.462 42 HB THR 6 HB THR 6 -7.431 3.920 3.920 43 HG1 THR 6 1HG THR 6 -8.481 1.440 1.440 44 1HG2 THR 6 3HG2 THR 6 -5.174 2.745 2.745 45 2HG2 THR 6 2HG2 THR 6 -5.891 1.395 1.395 46 3HG2 THR 6 1HG2 THR 6 -5.782 2.974 2.974 47 H ILE 7 H ILE 7 -6.728 0.746 0.746 48 HA ILE 7 HA ILE 7 -7.461 -1.826 -1.826 49 HB ILE 7 HB ILE 7 -5.112 -1.229 -1.229 50 1HG1 ILE 7 2HG1 ILE 7 -3.881 -3.120 -3.120 51 2HG1 ILE 7 1HG1 ILE 7 -5.394 -3.513 -3.513 52 1HG2 ILE 7 3HG2 ILE 7 -4.747 0.186 0.186 53 2HG2 ILE 7 2HG2 ILE 7 -4.722 -1.251 -1.251 54 3HG2 ILE 7 1HG2 ILE 7 -3.464 -0.985 -0.985 55 1HD1 ILE 7 3HD1 ILE 7 -6.397 -3.736 -3.736 56 2HD1 ILE 7 2HD1 ILE 7 -4.791 -3.446 -3.446 57 3HD1 ILE 7 1HD1 ILE 7 -5.114 -4.882 -4.882 58 HA PRO 8 HA PRO 8 -8.444 -3.033 -3.033 59 1HB PRO 8 2HB PRO 8 -8.039 -5.710 -5.710 60 2HB PRO 8 1HB PRO 8 -9.503 -4.952 -4.952 61 1HG PRO 8 2HG PRO 8 -6.834 -5.385 -5.385 62 2HG PRO 8 1HG PRO 8 -8.419 -6.055 -6.055 63 1HD PRO 8 2HD PRO 8 -7.831 -3.781 -3.781 64 2HD PRO 8 1HD PRO 8 -9.366 -3.788 -3.788 65 H LYS 9 H LYS 9 -7.107 -2.660 -2.660 66 HA LYS 9 HA LYS 9 -4.287 -2.617 -2.617 67 1HB LYS 9 2HB LYS 9 -5.648 -1.608 -1.608 68 2HB LYS 9 1HB LYS 9 -6.027 -3.210 -3.210 69 1HG LYS 9 2HG LYS 9 -3.107 -2.676 -2.676 70 2HG LYS 9 1HG LYS 9 -3.904 -1.760 -1.760 71 1HD LYS 9 2HD LYS 9 -4.416 -3.702 -3.702 72 2HD LYS 9 1HD LYS 9 -4.183 -4.749 -4.749 73 1HE LYS 9 2HE LYS 9 -2.222 -4.750 -4.750 74 2HE LYS 9 1HE LYS 9 -1.803 -4.494 -4.494 75 1HZ LYS 9 1HZ LYS 9 -2.298 -1.976 -1.976 76 2HZ LYS 9 3HZ LYS 9 -1.186 -2.826 -2.826 77 3HZ LYS 9 2HZ LYS 9 -0.886 -2.550 -2.550 78 H SER 10 H SER 10 -6.525 -4.952 -4.952 79 HA SER 10 HA SER 10 -5.359 -7.131 -7.131 80 1HB SER 10 2HB SER 10 -7.096 -7.562 -7.562 81 2HB SER 10 1HB SER 10 -7.308 -8.255 -8.255 82 HG SER 10 HG SER 10 -8.749 -6.659 -6.659 83 H ARG 11 H ARG 11 -5.042 -5.943 -5.943 84 HA ARG 11 HA ARG 11 -3.307 -8.163 -8.163 85 1HB ARG 11 2HB ARG 11 -4.795 -6.446 -6.446 86 2HB ARG 11 1HB ARG 11 -3.307 -5.526 -5.526 87 1HG ARG 11 2HG ARG 11 -3.085 -6.930 -6.930 88 2HG ARG 11 1HG ARG 11 -2.027 -7.601 -7.601 89 1HD ARG 11 2HD ARG 11 -3.942 -9.208 -9.208 90 2HD ARG 11 1HD ARG 11 -4.807 -8.602 -8.602 91 HE ARG 11 HE ARG 11 -2.099 -9.940 -9.940 92 1HH1 ARG 11 2HH1 ARG 11 -2.542 -8.851 -8.851 93 2HH1 ARG 11 1HH1 ARG 11 -3.530 -9.956 -9.956 94 1HH2 ARG 11 1HH2 ARG 11 -4.457 -11.637 -11.637 95 2HH2 ARG 11 2HH2 ARG 11 -4.667 -11.678 -11.678 96 H CYS 12 H CYS 12 -3.061 -4.882 -4.882 97 HA CYS 12 HA CYS 12 -0.076 -5.103 -5.103 98 1HB CYS 12 2HB CYS 12 -1.970 -2.876 -2.876 99 2HB CYS 12 1HB CYS 12 -0.586 -2.723 -2.723 100 H THR 13 H THR 13 -0.981 -6.923 -6.923 101 HA THR 13 HA THR 13 -1.153 -6.578 -6.578 102 HB THR 13 HB THR 13 -2.269 -8.571 -8.571 103 HG1 THR 13 1HG THR 13 -0.357 -10.097 -10.097 104 1HG2 THR 13 3HG2 THR 13 0.451 -9.298 -9.298 105 2HG2 THR 13 2HG2 THR 13 -1.011 -10.289 -10.289 106 3HG2 THR 13 1HG2 THR 13 -0.959 -8.782 -8.782 107 H ALA 14 H ALA 14 0.634 -7.523 -7.523 108 HA ALA 14 HA ALA 14 3.042 -6.146 -6.146 109 1HB ALA 14 3HB ALA 14 2.721 -8.813 -8.813 110 2HB ALA 14 2HB ALA 14 4.081 -7.723 -7.723 111 3HB ALA 14 1HB ALA 14 2.497 -7.228 -7.228 112 H PHE 15 H PHE 15 1.941 -9.081 -9.081 113 HA PHE 15 HA PHE 15 4.368 -10.238 -10.238 114 1HB PHE 15 2HB PHE 15 1.810 -10.744 -10.744 115 2HB PHE 15 1HB PHE 15 3.040 -11.853 -11.853 116 HD1 PHE 15 2HD PHE 15 2.821 -10.738 -10.738 117 HD2 PHE 15 1HD PHE 15 0.088 -12.285 -12.285 118 HE1 PHE 15 2HE PHE 15 1.321 -11.448 -11.448 119 HE2 PHE 15 1HE PHE 15 -1.401 -12.993 -12.993 120 HZ PHE 15 HZ PHE 15 -0.792 -12.576 -12.576 121 H GLN 16 H GLN 16 2.121 -7.965 -7.965 122 HA GLN 16 HA GLN 16 3.914 -7.790 -7.790 123 1HB GLN 16 2HB GLN 16 1.090 -6.755 -6.755 124 2HB GLN 16 1HB GLN 16 2.115 -7.404 -7.404 125 1HG GLN 16 2HG GLN 16 1.976 -9.578 -9.578 126 2HG GLN 16 1HG GLN 16 0.378 -8.904 -8.904 127 1HE2 GLN 16 2HE2 GLN 16 1.482 -10.754 -10.754 128 2HE2 GLN 16 1HE2 GLN 16 2.669 -10.320 -10.320 129 H CYS 17 H CYS 17 2.563 -6.025 -6.025 130 HA CYS 17 HA CYS 17 2.680 -3.304 -3.304 131 1HB CYS 17 2HB CYS 17 1.731 -4.451 -4.451 132 2HB CYS 17 1HB CYS 17 3.263 -4.066 -4.066 133 H LYS 18 H LYS 18 5.022 -5.471 -5.471 134 HA LYS 18 HA LYS 18 7.140 -3.377 -3.377 135 1HB LYS 18 2HB LYS 18 6.780 -4.460 -4.460 136 2HB LYS 18 1HB LYS 18 7.463 -5.897 -5.897 137 1HG LYS 18 2HG LYS 18 9.564 -4.846 -4.846 138 2HG LYS 18 1HG LYS 18 9.032 -3.272 -3.272 139 1HD LYS 18 2HD LYS 18 8.830 -5.476 -5.476 140 2HD LYS 18 1HD LYS 18 10.448 -5.078 -5.078 141 1HE LYS 18 2HE LYS 18 9.566 -3.773 -3.773 142 2HE LYS 18 1HE LYS 18 10.267 -2.802 -2.802 143 1HZ LYS 18 1HZ LYS 18 7.556 -3.152 -3.152 144 2HZ LYS 18 3HZ LYS 18 7.635 -2.698 -2.698 145 3HZ LYS 18 2HZ LYS 18 8.341 -1.717 -1.717 146 H HIS 19 H HIS 19 5.704 -5.492 -5.492 147 HA HIS 19 HA HIS 19 8.154 -6.452 -6.452 148 1HB HIS 19 2HB HIS 19 5.926 -8.299 -8.299 149 2HB HIS 19 1HB HIS 19 7.053 -8.713 -8.713 150 HD1 HIS 19 1HD HIS 19 9.604 -8.595 -8.595 151 HD2 HIS 19 2HD HIS 19 6.871 -8.714 -8.714 152 HE1 HIS 19 1HE HIS 19 10.779 -9.288 -9.288 153 H SER 20 H SER 20 4.565 -6.397 -6.397 154 HA SER 20 HA SER 20 4.992 -6.510 -6.510 155 1HB SER 20 2HB SER 20 2.338 -6.367 -6.367 156 2HB SER 20 1HB SER 20 2.670 -6.968 -6.968 157 HG SER 20 HG SER 20 4.288 -8.172 -8.172 158 H MET 21 H MET 21 5.906 -4.488 -4.488 159 HA MET 21 HA MET 21 4.723 -1.999 -1.999 160 1HB MET 21 2HB MET 21 6.480 -2.768 -2.768 161 2HB MET 21 1HB MET 21 5.979 -1.120 -1.120 162 1HG MET 21 2HG MET 21 6.951 -1.942 -1.942 163 2HG MET 21 1HG MET 21 8.013 -2.726 -2.726 164 1HE MET 21 2HE MET 21 6.160 0.368 0.368 165 2HE MET 21 1HE MET 21 7.291 1.684 1.684 166 3HE MET 21 3HE MET 21 6.523 1.058 1.058 167 1HN DNP 22 HN DAP 22 3.723 -4.310 -4.310 168 HA DNP 22 HA DAP 22 2.292 -2.475 -2.475 169 1HB DNP 22 1HB DAP 22 0.890 -4.329 -4.329 170 2HB DNP 22 2HB DAP 22 1.245 -5.243 -5.243 171 1HG DNP 22 1HG DAP 22 3.696 -4.553 -4.553 172 2HG DNP 22 2HG DAP 22 2.669 -5.238 -5.238 173 3HG DNP 22 3HG DAP 22 3.033 -6.107 -6.107 174 H TYR 23 H TYR 23 1.744 -3.295 -3.295 175 HA TYR 23 HA TYR 23 -0.899 -1.903 -1.903 176 1HB TYR 23 2HB TYR 23 -0.056 -3.507 -3.507 177 2HB TYR 23 1HB TYR 23 -1.673 -3.190 -3.190 178 HD1 TYR 23 2HD TYR 23 -1.736 -4.105 -4.105 179 HD2 TYR 23 1HD TYR 23 0.317 -5.795 -5.795 180 HE1 TYR 23 2HE TYR 23 -1.803 -6.297 -6.297 181 HE2 TYR 23 1HE TYR 23 0.256 -7.963 -7.963 182 HH TYR 23 HH TYR 23 0.028 -8.932 -8.932 183 H ARG 24 H ARG 24 1.724 -2.525 -2.525 184 HA ARG 24 HA ARG 24 1.789 -0.280 -0.280 185 1HB ARG 24 2HB ARG 24 3.236 -2.617 -2.617 186 2HB ARG 24 1HB ARG 24 4.412 -1.413 -1.413 187 1HG ARG 24 2HG ARG 24 2.889 -1.444 -1.444 188 2HG ARG 24 1HG ARG 24 4.433 -2.202 -2.202 189 1HD ARG 24 2HD ARG 24 4.085 0.781 0.781 190 2HD ARG 24 1HD ARG 24 4.483 0.084 0.084 191 HE ARG 24 HE ARG 24 6.200 -0.610 -0.610 192 1HH1 ARG 24 2HH1 ARG 24 6.265 -1.150 -1.150 193 2HH1 ARG 24 1HH1 ARG 24 7.605 -0.175 -0.175 194 1HH2 ARG 24 1HH2 ARG 24 7.503 1.583 1.583 195 2HH2 ARG 24 2HH2 ARG 24 8.404 1.516 1.516 196 H LEU 25 H LEU 25 2.405 -0.220 -0.220 197 HA LEU 25 HA LEU 25 4.309 1.975 1.975 198 1HB LEU 25 2HB LEU 25 4.152 0.577 0.577 199 2HB LEU 25 1HB LEU 25 2.490 0.769 0.769 200 HG LEU 25 HG LEU 25 2.866 3.198 3.198 201 1HD1 LEU 25 2HD1 LEU 25 5.826 2.578 2.578 202 2HD1 LEU 25 1HD1 LEU 25 5.160 4.037 4.037 203 3HD1 LEU 25 3HD1 LEU 25 4.873 3.680 3.680 204 1HD2 LEU 25 3HD2 LEU 25 2.976 1.415 1.415 205 2HD2 LEU 25 2HD2 LEU 25 4.074 2.728 2.728 206 3HD2 LEU 25 1HD2 LEU 25 4.695 1.236 1.236 207 H SER 26 H SER 26 1.299 2.063 2.063 208 HA SER 26 HA SER 26 0.529 4.493 4.493 209 1HB SER 26 2HB SER 26 0.661 4.111 4.111 210 2HB SER 26 1HB SER 26 -0.582 5.192 5.192 211 HG SER 26 HG SER 26 2.003 5.707 5.707 212 H PHE 27 H PHE 27 -0.274 1.505 1.505 213 HA PHE 27 HA PHE 27 -3.200 2.069 2.069 214 1HB PHE 27 2HB PHE 27 -2.014 -0.572 -0.572 215 2HB PHE 27 1HB PHE 27 -3.639 -0.220 -0.220 216 HD1 PHE 27 1HD PHE 27 -0.854 1.039 1.039 217 HD2 PHE 27 2HD PHE 27 -3.825 -1.957 -1.957 218 HE1 PHE 27 1HE PHE 27 -0.543 0.241 0.241 219 HE2 PHE 27 2HE PHE 27 -3.500 -2.742 -2.742 220 HZ PHE 27 HZ PHE 27 -1.850 -1.656 -1.656 221 H CYS 28 H CYS 28 -1.016 0.809 0.809 222 HA CYS 28 HA CYS 28 -3.182 1.396 1.396 223 1HB CYS 28 2HB CYS 28 -0.734 0.075 0.075 224 2HB CYS 28 1HB CYS 28 -2.407 -0.325 -0.325 225 H ARG 29 H ARG 29 -2.050 3.335 3.335 226 HA ARG 29 HA ARG 29 0.134 4.729 4.729 227 1HB ARG 29 2HB ARG 29 -2.744 5.336 5.336 228 2HB ARG 29 1HB ARG 29 -1.684 6.668 6.668 229 1HG ARG 29 2HG ARG 29 -0.488 6.132 6.132 230 2HG ARG 29 1HG ARG 29 -1.443 4.679 4.679 231 1HD ARG 29 2HD ARG 29 -3.289 5.700 5.700 232 2HD ARG 29 1HD ARG 29 -3.051 7.143 7.143 233 HE ARG 29 HE ARG 29 -1.563 6.530 6.530 234 1HH1 ARG 29 2HH1 ARG 29 -0.214 8.570 8.570 235 2HH1 ARG 29 1HH1 ARG 29 -0.983 10.053 10.053 236 1HH2 ARG 29 1HH2 ARG 29 -3.814 8.241 8.241 237 2HH2 ARG 29 2HH2 ARG 29 -3.238 9.863 9.863 238 H LYS 30 H LYS 30 -2.501 4.995 4.995 239 HA LYS 30 HA LYS 30 -0.632 6.151 6.151 240 1HB LYS 30 2HB LYS 30 -3.566 5.579 5.579 241 2HB LYS 30 1HB LYS 30 -2.581 6.894 6.894 242 1HG LYS 30 2HG LYS 30 -2.492 7.614 7.614 243 2HG LYS 30 1HG LYS 30 -3.854 6.537 6.537 244 1HD LYS 30 2HD LYS 30 -4.939 8.560 8.560 245 2HD LYS 30 1HD LYS 30 -4.893 7.778 7.778 246 1HE LYS 30 2HE LYS 30 -2.363 9.168 9.168 247 2HE LYS 30 1HE LYS 30 -3.589 10.259 10.259 248 1HZ LYS 30 2HZ LYS 30 -4.578 9.073 9.073 249 2HZ LYS 30 1HZ LYS 30 -3.014 9.637 9.637 250 3HZ LYS 30 3HZ LYS 30 -4.195 10.691 10.691 251 H THR 31 H THR 31 -2.909 3.629 3.629 252 HA THR 31 HA THR 31 -2.887 2.096 2.096 253 HB THR 31 HB THR 31 -2.730 1.264 1.264 254 HG1 THR 31 1HG THR 31 -4.589 2.205 2.205 255 1HG2 THR 31 1HG2 THR 31 -3.688 -0.299 -0.299 256 2HG2 THR 31 3HG2 THR 31 -3.734 -0.787 -0.787 257 3HG2 THR 31 2HG2 THR 31 -2.193 -0.724 -0.724 258 H CYS 32 H CYS 32 -0.192 2.351 2.351 259 HA CYS 32 HA CYS 32 1.375 0.608 0.608 260 1HB CYS 32 2HB CYS 32 1.651 1.056 1.056 261 2HB CYS 32 1HB CYS 32 2.966 0.455 0.455 262 H GLY 33 H GLY 33 1.404 3.385 3.385 263 1HA GLY 33 2HA GLY 33 1.984 5.588 5.588 264 2HA GLY 33 1HA GLY 33 3.194 4.753 4.753 265 H THR 34 H THR 34 2.378 4.718 4.718 266 HA THR 34 HA THR 34 5.206 5.449 5.449 267 HB THR 34 HB THR 34 4.087 4.216 4.216 268 HG1 THR 34 1HG THR 34 2.793 2.792 2.792 269 1HG2 THR 34 1HG2 THR 34 6.361 3.722 3.722 270 2HG2 THR 34 3HG2 THR 34 5.487 2.828 2.828 271 3HG2 THR 34 2HG2 THR 34 5.448 2.279 2.279 272 H CYS 35 HN CYS 35 2.206 7.008 7.008 273 HA CYS 35 HA CYS 35 2.925 8.516 8.516 274 1HB CYS 35 2HB CYS 35 0.661 9.055 9.055 275 2HB CYS 35 1HB CYS 35 0.836 7.319 7.319 Start of MODEL 3 1 1H ARG 1 3H ARG 1 -1.012 17.331 17.331 2 2H ARG 1 2H ARG 1 0.547 17.935 17.935 3 3H ARG 1 1H ARG 1 0.020 17.674 17.674 4 HA ARG 1 HA ARG 1 0.732 15.566 15.566 5 1HB ARG 1 2HB ARG 1 2.529 16.465 16.465 6 2HB ARG 1 1HB ARG 1 1.461 16.108 16.108 7 1HG ARG 1 2HG ARG 1 1.565 13.699 13.699 8 2HG ARG 1 1HG ARG 1 2.394 13.966 13.966 9 1HD ARG 1 2HD ARG 1 4.395 14.814 14.814 10 2HD ARG 1 1HD ARG 1 3.551 14.623 14.623 11 HE ARG 1 HE ARG 1 3.893 12.210 12.210 12 1HH1 ARG 1 1HH2 ARG 1 3.191 10.812 10.812 13 2HH1 ARG 1 2HH2 ARG 1 4.299 10.679 10.679 14 1HH2 ARG 1 1HH1 ARG 1 5.972 13.616 13.616 15 2HH2 ARG 1 2HH1 ARG 1 6.056 12.429 12.429 16 H SER 2 H SER 2 -1.591 15.198 15.198 17 HA SER 2 HA SER 2 -2.779 13.803 13.803 18 1HB SER 2 2HB SER 2 -4.298 15.099 15.099 19 2HB SER 2 1HB SER 2 -4.947 14.620 14.620 20 HG SER 2 HG SER 2 -4.298 16.507 16.507 21 H CYS 3 H CYS 3 -3.783 11.856 11.856 22 HA CYS 3 HA CYS 3 -4.135 10.754 10.754 23 1HB CYS 3 2HB CYS 3 -2.109 9.063 9.063 24 2HB CYS 3 1HB CYS 3 -1.844 10.586 10.586 25 H ILE 4 H ILE 4 -5.103 8.714 8.714 26 HA ILE 4 HA ILE 4 -5.326 7.676 7.676 27 HB ILE 4 HB ILE 4 -7.780 7.188 7.188 28 1HG1 ILE 4 2HG1 ILE 4 -8.693 8.912 8.912 29 2HG1 ILE 4 1HG1 ILE 4 -7.061 9.105 9.105 30 1HG2 ILE 4 3HG2 ILE 4 -6.946 10.102 10.102 31 2HG2 ILE 4 2HG2 ILE 4 -8.562 9.476 9.476 32 3HG2 ILE 4 1HG2 ILE 4 -7.230 8.986 8.986 33 1HD1 ILE 4 1HD1 ILE 4 -8.619 6.467 6.467 34 2HD1 ILE 4 3HD1 ILE 4 -8.311 7.459 7.459 35 3HD1 ILE 4 2HD1 ILE 4 -6.995 6.632 6.632 36 H ASP 5 H ASP 5 -6.021 5.458 5.458 37 HA ASP 5 HA ASP 5 -4.521 3.881 3.881 38 1HB ASP 5 2HB ASP 5 -6.488 2.953 2.953 39 2HB ASP 5 1HB ASP 5 -5.108 2.073 2.073 40 H THR 6 H THR 6 -5.540 2.044 2.044 41 HA THR 6 HA THR 6 -8.436 2.352 2.352 42 HB THR 6 HB THR 6 -6.939 3.778 3.778 43 HG1 THR 6 1HG THR 6 -8.575 3.337 3.337 44 1HG2 THR 6 2HG2 THR 6 -5.083 2.060 2.060 45 2HG2 THR 6 1HG2 THR 6 -6.194 1.002 1.002 46 3HG2 THR 6 3HG2 THR 6 -5.731 2.539 2.539 47 H ILE 7 H ILE 7 -6.450 0.596 0.596 48 HA ILE 7 HA ILE 7 -7.235 -1.974 -1.974 49 HB ILE 7 HB ILE 7 -4.846 -1.472 -1.472 50 1HG1 ILE 7 2HG1 ILE 7 -3.677 -3.247 -3.247 51 2HG1 ILE 7 1HG1 ILE 7 -5.177 -3.524 -3.524 52 1HG2 ILE 7 3HG2 ILE 7 -4.559 0.079 0.079 53 2HG2 ILE 7 2HG2 ILE 7 -4.589 -1.301 -1.301 54 3HG2 ILE 7 1HG2 ILE 7 -3.273 -1.104 -1.104 55 1HD1 ILE 7 2HD1 ILE 7 -6.248 -4.097 -4.097 56 2HD1 ILE 7 1HD1 ILE 7 -4.696 -3.820 -3.820 57 3HD1 ILE 7 3HD1 ILE 7 -4.907 -5.154 -5.154 58 HA PRO 8 HA PRO 8 -8.352 -3.231 -3.231 59 1HB PRO 8 2HB PRO 8 -7.746 -5.900 -5.900 60 2HB PRO 8 1HB PRO 8 -9.302 -5.220 -5.220 61 1HG PRO 8 2HG PRO 8 -6.758 -5.453 -5.453 62 2HG PRO 8 1HG PRO 8 -8.348 -6.155 -6.155 63 1HD PRO 8 2HD PRO 8 -7.952 -3.815 -3.815 64 2HD PRO 8 1HD PRO 8 -9.370 -3.911 -3.911 65 H LYS 9 H LYS 9 -6.944 -2.622 -2.622 66 HA LYS 9 HA LYS 9 -4.131 -2.572 -2.572 67 1HB LYS 9 2HB LYS 9 -5.572 -1.469 -1.469 68 2HB LYS 9 1HB LYS 9 -5.822 -3.038 -3.038 69 1HG LYS 9 2HG LYS 9 -2.966 -2.391 -2.391 70 2HG LYS 9 1HG LYS 9 -3.764 -1.395 -1.395 71 1HD LYS 9 2HD LYS 9 -4.290 -3.434 -3.434 72 2HD LYS 9 1HD LYS 9 -3.637 -4.431 -4.431 73 1HE LYS 9 2HE LYS 9 -1.893 -4.086 -4.086 74 2HE LYS 9 1HE LYS 9 -1.386 -3.435 -3.435 75 1HZ LYS 9 2HZ LYS 9 -2.818 -1.394 -1.394 76 2HZ LYS 9 1HZ LYS 9 -1.649 -2.026 -2.026 77 3HZ LYS 9 3HZ LYS 9 -1.199 -1.391 -1.391 78 H SER 10 H SER 10 -6.431 -4.921 -4.921 79 HA SER 10 HA SER 10 -5.180 -6.925 -6.925 80 1HB SER 10 2HB SER 10 -6.911 -7.697 -7.697 81 2HB SER 10 1HB SER 10 -7.104 -8.204 -8.204 82 HG SER 10 HG SER 10 -8.600 -6.650 -6.650 83 H ARG 11 H ARG 11 -4.887 -5.998 -5.998 84 HA ARG 11 HA ARG 11 -3.187 -8.230 -8.230 85 1HB ARG 11 2HB ARG 11 -4.799 -6.537 -6.537 86 2HB ARG 11 1HB ARG 11 -3.311 -5.631 -5.631 87 1HG ARG 11 2HG ARG 11 -3.218 -7.008 -7.008 88 2HG ARG 11 1HG ARG 11 -2.134 -7.771 -7.771 89 1HD ARG 11 2HD ARG 11 -4.056 -9.303 -9.303 90 2HD ARG 11 1HD ARG 11 -4.990 -8.618 -8.618 91 HE ARG 11 HE ARG 11 -2.755 -9.362 -9.362 92 1HH1 ARG 11 2HH1 ARG 11 -1.940 -10.990 -10.990 93 2HH1 ARG 11 1HH1 ARG 11 -2.632 -12.531 -12.531 94 1HH2 ARG 11 1HH2 ARG 11 -4.890 -11.129 -11.129 95 2HH2 ARG 11 2HH2 ARG 11 -4.456 -12.630 -12.630 96 H CYS 12 H CYS 12 -3.040 -4.887 -4.887 97 HA CYS 12 HA CYS 12 -0.127 -4.693 -4.693 98 1HB CYS 12 2HB CYS 12 -2.079 -2.766 -2.766 99 2HB CYS 12 1HB CYS 12 -0.564 -2.403 -2.403 100 H THR 13 H THR 13 -0.778 -6.674 -6.674 101 HA THR 13 HA THR 13 -0.615 -5.983 -5.983 102 HB THR 13 HB THR 13 -1.988 -7.959 -7.959 103 HG1 THR 13 1HG THR 13 -0.093 -9.499 -9.499 104 1HG2 THR 13 2HG2 THR 13 0.547 -9.090 -9.090 105 2HG2 THR 13 1HG2 THR 13 -1.027 -9.879 -9.879 106 3HG2 THR 13 3HG2 THR 13 -0.838 -8.499 -8.499 107 H ALA 14 H ALA 14 1.226 -6.991 -6.991 108 HA ALA 14 HA ALA 14 3.688 -5.871 -5.871 109 1HB ALA 14 1HB ALA 14 3.303 -6.678 -6.678 110 2HB ALA 14 3HB ALA 14 3.341 -8.344 -8.344 111 3HB ALA 14 2HB ALA 14 4.779 -7.350 -7.350 112 H PHE 15 H PHE 15 2.212 -8.752 -8.752 113 HA PHE 15 HA PHE 15 4.413 -10.223 -10.223 114 1HB PHE 15 2HB PHE 15 1.678 -10.825 -10.825 115 2HB PHE 15 1HB PHE 15 2.883 -11.892 -11.892 116 HD1 PHE 15 1HD PHE 15 3.120 -10.355 -10.355 117 HD2 PHE 15 2HD PHE 15 -0.171 -11.776 -11.776 118 HE1 PHE 15 1HE PHE 15 1.780 -10.577 -10.577 119 HE2 PHE 15 2HE PHE 15 -1.499 -11.996 -11.996 120 HZ PHE 15 HZ PHE 15 -0.531 -11.392 -11.392 121 H GLN 16 H GLN 16 2.242 -7.875 -7.875 122 HA GLN 16 HA GLN 16 3.719 -8.069 -8.069 123 1HB GLN 16 2HB GLN 16 0.917 -7.143 -7.143 124 2HB GLN 16 1HB GLN 16 1.877 -7.979 -7.979 125 1HG GLN 16 2HG GLN 16 1.856 -9.882 -9.882 126 2HG GLN 16 1HG GLN 16 0.313 -9.098 -9.098 127 1HE2 GLN 16 2HE2 GLN 16 0.673 -10.506 -10.506 128 2HE2 GLN 16 1HE2 GLN 16 1.849 -9.391 -9.391 129 H CYS 17 H CYS 17 3.028 -6.287 -6.287 130 HA CYS 17 HA CYS 17 2.589 -3.649 -3.649 131 1HB CYS 17 2HB CYS 17 1.853 -4.101 -4.101 132 2HB CYS 17 1HB CYS 17 3.492 -4.335 -4.335 133 H LYS 18 H LYS 18 5.202 -5.432 -5.432 134 HA LYS 18 HA LYS 18 7.136 -3.479 -3.479 135 1HB LYS 18 2HB LYS 18 6.922 -3.960 -3.960 136 2HB LYS 18 1HB LYS 18 7.754 -5.460 -5.460 137 1HG LYS 18 2HG LYS 18 9.704 -4.319 -4.319 138 2HG LYS 18 1HG LYS 18 8.884 -2.762 -2.762 139 1HD LYS 18 2HD LYS 18 8.478 -3.028 -3.028 140 2HD LYS 18 1HD LYS 18 9.475 -4.476 -4.476 141 1HE LYS 18 2HE LYS 18 11.448 -3.211 -3.211 142 2HE LYS 18 1HE LYS 18 10.502 -1.769 -1.769 143 1HZ LYS 18 1HZ LYS 18 9.887 -2.609 -2.609 144 2HZ LYS 18 3HZ LYS 18 11.581 -2.563 -2.563 145 3HZ LYS 18 2HZ LYS 18 10.656 -1.181 -1.181 146 H HIS 19 H HIS 19 5.683 -5.752 -5.752 147 HA HIS 19 HA HIS 19 7.912 -7.229 -7.229 148 1HB HIS 19 2HB HIS 19 5.797 -8.389 -8.389 149 2HB HIS 19 1HB HIS 19 6.019 -9.253 -9.253 150 HD1 HIS 19 1HD HIS 19 8.521 -9.953 -9.953 151 HD2 HIS 19 2HD HIS 19 7.619 -8.925 -8.925 152 HE1 HIS 19 1HE HIS 19 10.283 -10.837 -10.837 153 H SER 20 H SER 20 4.645 -5.978 -5.978 154 HA SER 20 HA SER 20 4.695 -6.483 -6.483 155 1HB SER 20 2HB SER 20 2.245 -6.465 -6.465 156 2HB SER 20 1HB SER 20 2.290 -6.786 -6.786 157 HG SER 20 HG SER 20 4.146 -8.270 -8.270 158 H MET 21 H MET 21 5.789 -4.411 -4.411 159 HA MET 21 HA MET 21 4.529 -1.967 -1.967 160 1HB MET 21 2HB MET 21 6.630 -2.606 -2.606 161 2HB MET 21 1HB MET 21 6.070 -0.970 -0.970 162 1HG MET 21 2HG MET 21 7.407 -2.765 -2.765 163 2HG MET 21 1HG MET 21 8.088 -1.340 -1.340 164 1HE MET 21 2HE MET 21 5.902 0.694 0.694 165 2HE MET 21 1HE MET 21 5.824 1.468 1.468 166 3HE MET 21 3HE MET 21 7.395 1.263 1.263 167 1HN DNP 22 HN DAP 22 3.793 -4.100 -4.100 168 HA DNP 22 HA DAP 22 2.669 -2.121 -2.121 169 1HB DNP 22 1HB DAP 22 1.136 -3.893 -3.893 170 2HB DNP 22 2HB DAP 22 1.492 -4.909 -4.909 171 1HG DNP 22 1HG DAP 22 2.880 -4.798 -4.798 172 2HG DNP 22 2HG DAP 22 3.244 -5.729 -5.729 173 3HG DNP 22 3HG DAP 22 3.941 -4.185 -4.185 174 H TYR 23 H TYR 23 1.555 -3.588 -3.588 175 HA TYR 23 HA TYR 23 -0.884 -1.915 -1.915 176 1HB TYR 23 2HB TYR 23 -0.186 -3.439 -3.439 177 2HB TYR 23 1HB TYR 23 -1.738 -3.009 -3.009 178 HD1 TYR 23 1HD TYR 23 -2.321 -4.196 -4.196 179 HD2 TYR 23 2HD TYR 23 0.366 -5.642 -5.642 180 HE1 TYR 23 1HE TYR 23 -2.642 -6.482 -6.482 181 HE2 TYR 23 2HE TYR 23 0.061 -7.927 -7.927 182 HH TYR 23 HH TYR 23 -1.324 -8.671 -8.671 183 H ARG 24 H ARG 24 1.622 -2.395 -2.395 184 HA ARG 24 HA ARG 24 1.406 -0.057 -0.057 185 1HB ARG 24 2HB ARG 24 2.747 -2.351 -2.351 186 2HB ARG 24 1HB ARG 24 4.068 -1.422 -1.422 187 1HG ARG 24 2HG ARG 24 2.486 -0.093 -0.093 188 2HG ARG 24 1HG ARG 24 3.382 -1.502 -1.502 189 1HD ARG 24 2HD ARG 24 4.993 0.345 0.345 190 2HD ARG 24 1HD ARG 24 4.350 1.107 1.107 191 HE ARG 24 HE ARG 24 5.981 -1.381 -1.381 192 1HH1 ARG 24 1HH2 ARG 24 4.329 -0.628 -0.628 193 2HH1 ARG 24 2HH2 ARG 24 5.390 0.212 0.212 194 1HH2 ARG 24 2HH1 ARG 24 7.725 0.525 0.525 195 2HH2 ARG 24 1HH1 ARG 24 7.539 0.924 0.924 196 H LEU 25 H LEU 25 2.217 0.046 0.046 197 HA LEU 25 HA LEU 25 4.153 2.318 2.318 198 1HB LEU 25 2HB LEU 25 4.495 0.643 0.643 199 2HB LEU 25 1HB LEU 25 3.016 0.986 0.986 200 HG LEU 25 HG LEU 25 3.892 3.405 3.405 201 1HD1 LEU 25 1HD1 LEU 25 6.529 2.171 2.171 202 2HD1 LEU 25 3HD1 LEU 25 6.335 3.765 3.765 203 3HD1 LEU 25 2HD1 LEU 25 5.631 3.411 3.411 204 1HD2 LEU 25 3HD2 LEU 25 4.007 1.646 1.646 205 2HD2 LEU 25 2HD2 LEU 25 5.392 2.720 2.720 206 3HD2 LEU 25 1HD2 LEU 25 5.565 1.125 1.125 207 H SER 26 H SER 26 1.429 1.930 1.930 208 HA SER 26 HA SER 26 0.526 4.566 4.566 209 1HB SER 26 2HB SER 26 -0.510 4.659 4.659 210 2HB SER 26 1HB SER 26 1.267 4.702 4.702 211 HG SER 26 HG SER 26 1.043 2.911 2.911 212 H PHE 27 H PHE 27 -0.209 1.465 1.465 213 HA PHE 27 HA PHE 27 -3.150 2.112 2.112 214 1HB PHE 27 2HB PHE 27 -2.108 -0.612 -0.612 215 2HB PHE 27 1HB PHE 27 -3.697 -0.131 -0.131 216 HD1 PHE 27 2HD PHE 27 -1.451 1.467 1.467 217 HD2 PHE 27 1HD PHE 27 -3.251 -2.273 -2.273 218 HE1 PHE 27 2HE PHE 27 -1.084 0.681 0.681 219 HE2 PHE 27 1HE PHE 27 -2.872 -3.052 -3.052 220 HZ PHE 27 HZ PHE 27 -1.783 -1.583 -1.583 221 H CYS 28 H CYS 28 -0.742 1.103 1.103 222 HA CYS 28 HA CYS 28 -2.905 1.462 1.462 223 1HB CYS 28 2HB CYS 28 -0.350 0.328 0.328 224 2HB CYS 28 1HB CYS 28 -1.999 -0.215 -0.215 225 H ARG 29 H ARG 29 -1.757 3.618 3.618 226 HA ARG 29 HA ARG 29 0.363 5.008 5.008 227 1HB ARG 29 2HB ARG 29 -2.490 5.655 5.655 228 2HB ARG 29 1HB ARG 29 -1.565 6.916 6.916 229 1HG ARG 29 2HG ARG 29 -0.873 7.498 7.498 230 2HG ARG 29 1HG ARG 29 0.094 6.058 6.058 231 1HD ARG 29 2HD ARG 29 -1.085 5.630 5.630 232 2HD ARG 29 1HD ARG 29 -2.175 4.870 4.870 233 HE ARG 29 HE ARG 29 -3.449 7.081 7.081 234 1HH1 ARG 29 2HH1 ARG 29 -1.510 8.491 8.491 235 2HH1 ARG 29 1HH1 ARG 29 -2.128 8.268 8.268 236 1HH2 ARG 29 1HH2 ARG 29 -4.231 5.637 5.637 237 2HH2 ARG 29 2HH2 ARG 29 -3.849 6.516 6.516 238 H LYS 30 H LYS 30 -2.378 5.115 5.115 239 HA LYS 30 HA LYS 30 -0.698 6.184 6.184 240 1HB LYS 30 2HB LYS 30 -3.731 6.043 6.043 241 2HB LYS 30 1HB LYS 30 -2.987 6.757 6.757 242 1HG LYS 30 2HG LYS 30 -2.150 7.645 7.645 243 2HG LYS 30 1HG LYS 30 -3.628 8.266 8.266 244 1HD LYS 30 2HD LYS 30 -2.444 9.357 9.357 245 2HD LYS 30 1HD LYS 30 -1.055 8.315 8.315 246 1HE LYS 30 2HE LYS 30 -0.682 10.698 10.698 247 2HE LYS 30 1HE LYS 30 -0.236 9.439 9.439 248 1HZ LYS 30 1HZ LYS 30 -2.928 10.059 10.059 249 2HZ LYS 30 3HZ LYS 30 -2.051 11.534 11.534 250 3HZ LYS 30 2HZ LYS 30 -1.577 10.327 10.327 251 H THR 31 H THR 31 -2.974 3.792 3.792 252 HA THR 31 HA THR 31 -3.431 2.195 2.195 253 HB THR 31 HB THR 31 -2.890 1.547 1.547 254 HG1 THR 31 1HG THR 31 -4.877 2.511 2.511 255 1HG2 THR 31 1HG2 THR 31 -2.274 -0.510 -0.510 256 2HG2 THR 31 3HG2 THR 31 -3.876 -0.323 -0.323 257 3HG2 THR 31 2HG2 THR 31 -3.724 -0.634 -0.634 258 H CYS 32 H CYS 32 -0.443 2.355 2.355 259 HA CYS 32 HA CYS 32 0.886 0.619 0.619 260 1HB CYS 32 2HB CYS 32 1.443 1.202 1.202 261 2HB CYS 32 1HB CYS 32 2.787 0.827 0.827 262 H GLY 33 H GLY 33 1.276 3.327 3.327 263 1HA GLY 33 2HA GLY 33 1.554 5.607 5.607 264 2HA GLY 33 1HA GLY 33 2.638 4.862 4.862 265 H THR 34 H THR 34 2.292 4.720 4.720 266 HA THR 34 HA THR 34 5.163 5.489 5.489 267 HB THR 34 HB THR 34 4.442 4.153 4.153 268 HG1 THR 34 1HG THR 34 3.067 2.690 2.690 269 1HG2 THR 34 2HG2 THR 34 6.539 3.847 3.847 270 2HG2 THR 34 1HG2 THR 34 5.548 2.916 2.916 271 3HG2 THR 34 3HG2 THR 34 5.836 2.333 2.333 272 H CYS 35 HN CYS 35 2.271 6.967 6.967 273 HA CYS 35 HA CYS 35 3.186 8.496 8.496 274 1HB CYS 35 2HB CYS 35 1.145 8.411 8.411 275 2HB CYS 35 1HB CYS 35 0.972 7.041 7.041 Start of MODEL 4 1 1H ARG 1 3H ARG 1 0.677 16.189 16.189 2 2H ARG 1 2H ARG 1 2.119 16.251 16.251 3 3H ARG 1 1H ARG 1 1.112 17.623 17.623 4 HA ARG 1 HA ARG 1 -0.061 16.950 16.950 5 1HB ARG 1 2HB ARG 1 1.741 14.455 14.455 6 2HB ARG 1 1HB ARG 1 0.657 14.770 14.770 7 1HG ARG 1 2HG ARG 1 1.849 16.839 16.839 8 2HG ARG 1 1HG ARG 1 2.901 16.702 16.702 9 1HD ARG 1 2HD ARG 1 3.869 14.590 14.590 10 2HD ARG 1 1HD ARG 1 2.777 14.676 14.676 11 HE ARG 1 HE ARG 1 3.928 16.747 16.747 12 1HH1 ARG 1 1HH1 ARG 1 5.229 17.900 17.900 13 2HH1 ARG 1 2HH1 ARG 1 6.846 17.314 17.314 14 1HH2 ARG 1 1HH2 ARG 1 5.917 14.554 14.554 15 2HH2 ARG 1 2HH2 ARG 1 7.268 15.251 15.251 16 H SER 2 H SER 2 -1.793 15.251 15.251 17 HA SER 2 HA SER 2 -2.733 13.868 13.868 18 1HB SER 2 2HB SER 2 -4.520 15.007 15.007 19 2HB SER 2 1HB SER 2 -4.979 14.534 14.534 20 HG SER 2 HG SER 2 -4.291 16.902 16.902 21 H CYS 3 H CYS 3 -2.767 11.653 11.653 22 HA CYS 3 HA CYS 3 -3.496 10.593 10.593 23 1HB CYS 3 2HB CYS 3 -1.623 9.098 9.098 24 2HB CYS 3 1HB CYS 3 -0.968 10.705 10.705 25 H ILE 4 H ILE 4 -4.653 8.731 8.731 26 HA ILE 4 HA ILE 4 -5.108 7.785 7.785 27 HB ILE 4 HB ILE 4 -7.539 7.419 7.419 28 1HG1 ILE 4 2HG1 ILE 4 -8.250 9.137 9.137 29 2HG1 ILE 4 1HG1 ILE 4 -6.585 9.139 9.139 30 1HG2 ILE 4 3HG2 ILE 4 -6.968 9.238 9.238 31 2HG2 ILE 4 2HG2 ILE 4 -6.560 10.286 10.286 32 3HG2 ILE 4 1HG2 ILE 4 -8.223 9.756 9.756 33 1HD1 ILE 4 3HD1 ILE 4 -8.371 6.669 6.669 34 2HD1 ILE 4 2HD1 ILE 4 -7.941 7.554 7.554 35 3HD1 ILE 4 1HD1 ILE 4 -6.718 6.663 6.663 36 H ASP 5 H ASP 5 -5.952 5.718 5.718 37 HA ASP 5 HA ASP 5 -4.628 3.814 3.814 38 1HB ASP 5 2HB ASP 5 -6.684 3.269 3.269 39 2HB ASP 5 1HB ASP 5 -5.450 2.161 2.161 40 H THR 6 H THR 6 -5.826 2.031 2.031 41 HA THR 6 HA THR 6 -8.677 2.394 2.394 42 HB THR 6 HB THR 6 -7.361 3.870 3.870 43 HG1 THR 6 1HG THR 6 -8.853 3.261 3.261 44 1HG2 THR 6 1HG2 THR 6 -5.293 2.421 2.421 45 2HG2 THR 6 3HG2 THR 6 -6.225 1.203 1.203 46 3HG2 THR 6 2HG2 THR 6 -5.940 2.780 2.780 47 H ILE 7 H ILE 7 -6.907 0.752 0.752 48 HA ILE 7 HA ILE 7 -7.379 -1.858 -1.858 49 HB ILE 7 HB ILE 7 -4.972 -0.970 -0.970 50 1HG1 ILE 7 2HG1 ILE 7 -3.837 -2.988 -2.988 51 2HG1 ILE 7 1HG1 ILE 7 -5.313 -3.499 -3.499 52 1HG2 ILE 7 3HG2 ILE 7 -5.019 0.118 0.118 53 2HG2 ILE 7 2HG2 ILE 7 -5.041 -1.464 -1.464 54 3HG2 ILE 7 1HG2 ILE 7 -3.663 -0.960 -0.960 55 1HD1 ILE 7 1HD1 ILE 7 -6.412 -3.649 -3.649 56 2HD1 ILE 7 3HD1 ILE 7 -4.893 -3.150 -3.150 57 3HD1 ILE 7 2HD1 ILE 7 -5.008 -4.687 -4.687 58 HA PRO 8 HA PRO 8 -8.603 -3.294 -3.294 59 1HB PRO 8 2HB PRO 8 -7.984 -5.915 -5.915 60 2HB PRO 8 1HB PRO 8 -9.554 -5.222 -5.222 61 1HG PRO 8 2HG PRO 8 -7.035 -5.343 -5.343 62 2HG PRO 8 1HG PRO 8 -8.632 -6.020 -6.020 63 1HD PRO 8 2HD PRO 8 -8.228 -3.628 -3.628 64 2HD PRO 8 1HD PRO 8 -9.664 -3.790 -3.790 65 H LYS 9 H LYS 9 -7.127 -2.623 -2.623 66 HA LYS 9 HA LYS 9 -4.345 -2.562 -2.562 67 1HB LYS 9 2HB LYS 9 -5.714 -1.586 -1.586 68 2HB LYS 9 1HB LYS 9 -5.891 -3.200 -3.200 69 1HG LYS 9 2HG LYS 9 -3.081 -2.418 -2.418 70 2HG LYS 9 1HG LYS 9 -3.841 -1.562 -1.562 71 1HD LYS 9 2HD LYS 9 -4.183 -3.673 -3.673 72 2HD LYS 9 1HD LYS 9 -3.623 -4.565 -4.565 73 1HE LYS 9 2HE LYS 9 -1.747 -4.268 -4.268 74 2HE LYS 9 1HE LYS 9 -1.362 -3.567 -3.567 75 1HZ LYS 9 2HZ LYS 9 -2.690 -1.586 -1.586 76 2HZ LYS 9 1HZ LYS 9 -1.433 -2.235 -2.235 77 3HZ LYS 9 3HZ LYS 9 -1.121 -1.556 -1.556 78 H SER 10 H SER 10 -6.544 -4.995 -4.995 79 HA SER 10 HA SER 10 -5.189 -7.030 -7.030 80 1HB SER 10 2HB SER 10 -7.005 -7.672 -7.672 81 2HB SER 10 1HB SER 10 -7.117 -8.308 -8.308 82 HG SER 10 HG SER 10 -8.638 -6.766 -6.766 83 H ARG 11 H ARG 11 -5.096 -6.047 -6.047 84 HA ARG 11 HA ARG 11 -3.285 -8.152 -8.152 85 1HB ARG 11 2HB ARG 11 -5.048 -6.506 -6.506 86 2HB ARG 11 1HB ARG 11 -3.582 -5.575 -5.575 87 1HG ARG 11 2HG ARG 11 -3.608 -6.993 -6.993 88 2HG ARG 11 1HG ARG 11 -2.387 -7.628 -7.628 89 1HD ARG 11 2HD ARG 11 -4.155 -9.285 -9.285 90 2HD ARG 11 1HD ARG 11 -5.189 -8.742 -8.742 91 HE ARG 11 HE ARG 11 -2.469 -10.014 -10.014 92 1HH1 ARG 11 1HH2 ARG 11 -2.855 -8.825 -8.825 93 2HH1 ARG 11 2HH2 ARG 11 -3.862 -9.827 -9.827 94 1HH2 ARG 11 2HH1 ARG 11 -4.929 -11.606 -11.606 95 2HH2 ARG 11 1HH1 ARG 11 -5.105 -11.574 -11.574 96 H CYS 12 H CYS 12 -3.118 -5.025 -5.025 97 HA CYS 12 HA CYS 12 -0.244 -4.656 -4.656 98 1HB CYS 12 2HB CYS 12 -2.206 -2.932 -2.932 99 2HB CYS 12 1HB CYS 12 -0.755 -2.412 -2.412 100 H THR 13 H THR 13 -1.072 -6.797 -6.797 101 HA THR 13 HA THR 13 -0.752 -6.224 -6.224 102 HB THR 13 HB THR 13 -1.902 -8.327 -8.327 103 HG1 THR 13 1HG THR 13 -0.049 -9.785 -9.785 104 1HG2 THR 13 3HG2 THR 13 0.545 -9.048 -9.048 105 2HG2 THR 13 2HG2 THR 13 -0.839 -10.097 -10.097 106 3HG2 THR 13 1HG2 THR 13 -1.040 -8.654 -8.654 107 H ALA 14 H ALA 14 1.150 -6.821 -6.821 108 HA ALA 14 HA ALA 14 3.492 -5.622 -5.622 109 1HB ALA 14 1HB ALA 14 3.340 -8.051 -8.051 110 2HB ALA 14 3HB ALA 14 4.715 -6.972 -6.972 111 3HB ALA 14 2HB ALA 14 3.203 -6.379 -6.379 112 H PHE 15 H PHE 15 2.353 -8.709 -8.709 113 HA PHE 15 HA PHE 15 4.589 -10.101 -10.101 114 1HB PHE 15 2HB PHE 15 1.861 -10.568 -10.568 115 2HB PHE 15 1HB PHE 15 3.073 -11.712 -11.712 116 HD1 PHE 15 2HD PHE 15 3.194 -10.228 -10.228 117 HD2 PHE 15 1HD PHE 15 0.224 -12.060 -12.060 118 HE1 PHE 15 2HE PHE 15 1.869 -10.763 -10.763 119 HE2 PHE 15 1HE PHE 15 -1.086 -12.595 -12.595 120 HZ PHE 15 HZ PHE 15 -0.273 -11.947 -11.947 121 H GLN 16 H GLN 16 2.227 -8.072 -8.072 122 HA GLN 16 HA GLN 16 3.666 -8.147 -8.147 123 1HB GLN 16 2HB GLN 16 1.056 -6.724 -6.724 124 2HB GLN 16 1HB GLN 16 1.653 -7.335 -7.335 125 1HG GLN 16 2HG GLN 16 1.447 -9.594 -9.594 126 2HG GLN 16 1HG GLN 16 -0.062 -8.787 -8.787 127 1HE2 GLN 16 2HE2 GLN 16 1.603 -10.718 -10.718 128 2HE2 GLN 16 1HE2 GLN 16 2.637 -10.137 -10.137 129 H CYS 17 H CYS 17 2.347 -5.832 -5.832 130 HA CYS 17 HA CYS 17 3.182 -3.424 -3.424 131 1HB CYS 17 2HB CYS 17 2.040 -4.042 -4.042 132 2HB CYS 17 1HB CYS 17 3.646 -4.113 -4.113 133 H LYS 18 H LYS 18 5.075 -5.987 -5.987 134 HA LYS 18 HA LYS 18 7.543 -4.324 -4.324 135 1HB LYS 18 2HB LYS 18 7.105 -5.851 -5.851 136 2HB LYS 18 1HB LYS 18 7.230 -7.235 -7.235 137 1HG LYS 18 2HG LYS 18 9.576 -6.485 -6.485 138 2HG LYS 18 1HG LYS 18 9.465 -5.196 -5.196 139 1HD LYS 18 2HD LYS 18 9.375 -8.192 -8.192 140 2HD LYS 18 1HD LYS 18 10.702 -7.109 -7.109 141 1HE LYS 18 2HE LYS 18 9.065 -5.843 -5.843 142 2HE LYS 18 1HE LYS 18 7.922 -7.145 -7.145 143 1HZ LYS 18 2HZ LYS 18 10.392 -8.291 -8.291 144 2HZ LYS 18 1HZ LYS 18 10.025 -7.091 -7.091 145 3HZ LYS 18 3HZ LYS 18 8.916 -8.337 -8.337 146 H HIS 19 H HIS 19 5.934 -6.843 -6.843 147 HA HIS 19 HA HIS 19 8.294 -7.029 -7.029 148 1HB HIS 19 2HB HIS 19 6.209 -9.141 -9.141 149 2HB HIS 19 1HB HIS 19 7.375 -9.296 -9.296 150 HD1 HIS 19 1HD HIS 19 9.856 -9.579 -9.579 151 HD2 HIS 19 2HD HIS 19 7.221 -9.416 -9.416 152 HE1 HIS 19 1HE HIS 19 11.029 -10.332 -10.332 153 H SER 20 H SER 20 4.754 -6.952 -6.952 154 HA SER 20 HA SER 20 4.794 -6.676 -6.676 155 1HB SER 20 2HB SER 20 2.274 -6.505 -6.505 156 2HB SER 20 1HB SER 20 2.562 -7.254 -7.254 157 HG SER 20 HG SER 20 4.195 -8.474 -8.474 158 H MET 21 H MET 21 5.886 -4.581 -4.581 159 HA MET 21 HA MET 21 4.647 -2.219 -2.219 160 1HB MET 21 2HB MET 21 6.522 -2.660 -2.660 161 2HB MET 21 1HB MET 21 5.903 -1.063 -1.063 162 1HG MET 21 2HG MET 21 7.484 -2.865 -2.865 163 2HG MET 21 1HG MET 21 8.055 -1.393 -1.393 164 1HE MET 21 2HE MET 21 6.299 0.766 0.766 165 2HE MET 21 1HE MET 21 6.224 1.391 1.391 166 3HE MET 21 3HE MET 21 7.793 1.024 1.024 167 1HN DNP 22 HN DAP 22 3.767 -4.259 -4.259 168 HA DNP 22 HA DAP 22 2.311 -2.381 -2.381 169 1HB DNP 22 1HB DAP 22 2.506 -4.741 -4.741 170 2HB DNP 22 2HB DAP 22 0.809 -4.299 -4.299 171 1HG DNP 22 1HG DAP 22 0.549 -5.944 -5.944 172 2HG DNP 22 2HG DAP 22 1.635 -5.196 -5.196 173 3HG DNP 22 3HG DAP 22 2.192 -6.341 -6.341 174 H TYR 23 H TYR 23 1.753 -3.041 -3.041 175 HA TYR 23 HA TYR 23 -1.003 -1.977 -1.977 176 1HB TYR 23 2HB TYR 23 -0.074 -3.603 -3.603 177 2HB TYR 23 1HB TYR 23 -1.714 -3.240 -3.240 178 HD1 TYR 23 2HD TYR 23 -1.831 -4.037 -4.037 179 HD2 TYR 23 1HD TYR 23 0.133 -5.935 -5.935 180 HE1 TYR 23 2HE TYR 23 -2.006 -6.200 -6.200 181 HE2 TYR 23 1HE TYR 23 -0.025 -8.069 -8.069 182 HH TYR 23 HH TYR 23 -0.451 -9.082 -9.082 183 H ARG 24 H ARG 24 1.455 -2.305 -2.305 184 HA ARG 24 HA ARG 24 1.163 -0.100 -0.100 185 1HB ARG 24 2HB ARG 24 2.549 -1.873 -1.873 186 2HB ARG 24 1HB ARG 24 3.618 -1.506 -1.506 187 1HG ARG 24 2HG ARG 24 4.382 0.370 0.370 188 2HG ARG 24 1HG ARG 24 2.943 0.683 0.683 189 1HD ARG 24 2HD ARG 24 3.963 -0.174 -0.174 190 2HD ARG 24 1HD ARG 24 3.966 -1.707 -1.707 191 HE ARG 24 HE ARG 24 6.219 -0.970 -0.970 192 1HH1 ARG 24 1HH2 ARG 24 6.457 1.586 1.586 193 2HH1 ARG 24 2HH2 ARG 24 7.132 1.479 1.479 194 1HH2 ARG 24 2HH1 ARG 24 6.250 -2.010 -2.010 195 2HH2 ARG 24 1HH1 ARG 24 7.009 -0.866 -0.866 196 H LEU 25 H LEU 25 2.675 -0.170 -0.170 197 HA LEU 25 HA LEU 25 4.053 2.301 2.301 198 1HB LEU 25 2HB LEU 25 4.340 0.560 0.560 199 2HB LEU 25 1HB LEU 25 2.830 0.810 0.810 200 HG LEU 25 HG LEU 25 3.435 3.116 3.116 201 1HD1 LEU 25 2HD1 LEU 25 6.180 2.580 2.580 202 2HD1 LEU 25 1HD1 LEU 25 5.764 3.977 3.977 203 3HD1 LEU 25 3HD1 LEU 25 5.018 3.758 3.758 204 1HD2 LEU 25 3HD2 LEU 25 3.975 1.230 1.230 205 2HD2 LEU 25 2HD2 LEU 25 5.150 2.520 2.520 206 3HD2 LEU 25 1HD2 LEU 25 5.564 1.078 1.078 207 H SER 26 H SER 26 1.254 1.729 1.729 208 HA SER 26 HA SER 26 0.360 4.517 4.517 209 1HB SER 26 2HB SER 26 -0.545 4.302 4.302 210 2HB SER 26 1HB SER 26 1.209 4.508 4.508 211 HG SER 26 HG SER 26 -0.249 2.254 2.254 212 H PHE 27 H PHE 27 -0.386 1.446 1.446 213 HA PHE 27 HA PHE 27 -3.332 2.043 2.043 214 1HB PHE 27 2HB PHE 27 -2.281 -0.664 -0.664 215 2HB PHE 27 1HB PHE 27 -3.819 -0.220 -0.220 216 HD1 PHE 27 1HD PHE 27 -0.224 0.345 0.345 217 HD2 PHE 27 2HD PHE 27 -4.168 -0.932 -0.932 218 HE1 PHE 27 1HE PHE 27 0.521 -0.061 -0.061 219 HE2 PHE 27 2HE PHE 27 -3.380 -1.372 -1.372 220 HZ PHE 27 HZ PHE 27 -1.021 -0.953 -0.953 221 H CYS 28 H CYS 28 -0.985 1.141 1.141 222 HA CYS 28 HA CYS 28 -3.082 1.514 1.514 223 1HB CYS 28 2HB CYS 28 -0.542 0.259 0.259 224 2HB CYS 28 1HB CYS 28 -2.194 -0.237 -0.237 225 H ARG 29 H ARG 29 -1.883 3.508 3.508 226 HA ARG 29 HA ARG 29 0.345 4.841 4.841 227 1HB ARG 29 2HB ARG 29 -2.525 5.560 5.560 228 2HB ARG 29 1HB ARG 29 -1.399 6.861 6.861 229 1HG ARG 29 2HG ARG 29 -0.137 5.588 5.588 230 2HG ARG 29 1HG ARG 29 -1.518 4.525 4.525 231 1HD ARG 29 2HD ARG 29 -2.443 5.885 5.885 232 2HD ARG 29 1HD ARG 29 -2.658 7.070 7.070 233 HE ARG 29 HE ARG 29 -0.302 7.870 7.870 234 1HH1 ARG 29 2HH1 ARG 29 -2.743 7.561 7.561 235 2HH1 ARG 29 1HH1 ARG 29 -1.853 7.652 7.652 236 1HH2 ARG 29 1HH2 ARG 29 1.236 7.368 7.368 237 2HH2 ARG 29 2HH2 ARG 29 0.574 7.572 7.572 238 H LYS 30 H LYS 30 -2.447 5.110 5.110 239 HA LYS 30 HA LYS 30 -0.707 6.148 6.148 240 1HB LYS 30 2HB LYS 30 -3.741 6.137 6.137 241 2HB LYS 30 1HB LYS 30 -2.897 6.917 6.917 242 1HG LYS 30 2HG LYS 30 -2.467 7.535 7.535 243 2HG LYS 30 1HG LYS 30 -3.407 8.539 8.539 244 1HD LYS 30 2HD LYS 30 -1.165 8.500 8.500 245 2HD LYS 30 1HD LYS 30 -0.416 7.965 7.965 246 1HE LYS 30 2HE LYS 30 -1.176 9.974 9.974 247 2HE LYS 30 1HE LYS 30 -1.895 10.572 10.572 248 1HZ LYS 30 1HZ LYS 30 0.814 9.697 9.697 249 2HZ LYS 30 3HZ LYS 30 0.786 10.714 10.714 250 3HZ LYS 30 2HZ LYS 30 0.196 11.281 11.281 251 H THR 31 H THR 31 -2.973 3.761 3.761 252 HA THR 31 HA THR 31 -3.389 2.363 2.363 253 HB THR 31 HB THR 31 -3.098 1.451 1.451 254 HG1 THR 31 1HG THR 31 -4.892 2.699 2.699 255 1HG2 THR 31 2HG2 THR 31 -4.131 -0.122 -0.122 256 2HG2 THR 31 1HG2 THR 31 -4.121 -0.584 -0.584 257 3HG2 THR 31 3HG2 THR 31 -2.599 -0.506 -0.506 258 H CYS 32 H CYS 32 -0.466 2.521 2.521 259 HA CYS 32 HA CYS 32 0.845 0.637 0.637 260 1HB CYS 32 2HB CYS 32 1.281 1.269 1.269 261 2HB CYS 32 1HB CYS 32 2.684 0.980 0.980 262 H GLY 33 H GLY 33 1.292 3.528 3.528 263 1HA GLY 33 2HA GLY 33 1.804 5.666 5.666 264 2HA GLY 33 1HA GLY 33 2.872 4.736 4.736 265 H THR 34 H THR 34 2.306 4.995 4.995 266 HA THR 34 HA THR 34 5.229 5.084 5.084 267 HB THR 34 HB THR 34 4.087 4.895 4.895 268 HG1 THR 34 1HG THR 34 2.219 3.505 3.505 269 1HG2 THR 34 3HG2 THR 34 5.566 3.159 3.159 270 2HG2 THR 34 2HG2 THR 34 4.123 2.576 2.576 271 3HG2 THR 34 1HG2 THR 34 4.268 2.454 2.454 272 H CYS 35 HN CYS 35 2.289 6.941 6.941 273 HA CYS 35 HA CYS 35 4.080 9.210 9.210 274 1HB CYS 35 2HB CYS 35 2.196 9.832 9.832 275 2HB CYS 35 1HB CYS 35 3.001 8.394 8.394 Start of MODEL 5 1 1H ARG 1 2H ARG 1 0.112 17.159 17.159 2 2H ARG 1 1H ARG 1 1.477 17.316 17.316 3 3H ARG 1 3H ARG 1 0.324 18.571 18.571 4 HA ARG 1 HA ARG 1 -0.900 17.628 17.628 5 1HB ARG 1 2HB ARG 1 1.266 15.425 15.425 6 2HB ARG 1 1HB ARG 1 0.072 15.570 15.570 7 1HG ARG 1 2HG ARG 1 0.883 17.968 17.968 8 2HG ARG 1 1HG ARG 1 2.210 17.667 17.667 9 1HD ARG 1 2HD ARG 1 1.664 16.166 16.166 10 2HD ARG 1 1HD ARG 1 2.874 17.411 17.411 11 HE ARG 1 HE ARG 1 3.885 15.768 15.768 12 1HH1 ARG 1 1HH1 ARG 1 2.618 13.382 13.382 13 2HH1 ARG 1 2HH1 ARG 1 3.090 12.481 12.481 14 1HH2 ARG 1 1HH2 ARG 1 4.260 15.410 15.410 15 2HH2 ARG 1 2HH2 ARG 1 4.080 13.703 13.703 16 H SER 2 H SER 2 -2.117 15.318 15.318 17 HA SER 2 HA SER 2 -2.932 14.222 14.222 18 1HB SER 2 2HB SER 2 -5.231 14.069 14.069 19 2HB SER 2 1HB SER 2 -4.696 15.685 15.685 20 HG SER 2 HG SER 2 -5.106 14.977 14.977 21 H CYS 3 H CYS 3 -3.769 12.121 12.121 22 HA CYS 3 HA CYS 3 -3.635 10.346 10.346 23 1HB CYS 3 2HB CYS 3 -1.744 8.988 8.988 24 2HB CYS 3 1HB CYS 3 -1.211 10.607 10.607 25 H ILE 4 H ILE 4 -4.955 8.599 8.599 26 HA ILE 4 HA ILE 4 -5.574 8.016 8.016 27 HB ILE 4 HB ILE 4 -8.007 7.807 7.807 28 1HG1 ILE 4 2HG1 ILE 4 -8.497 9.345 9.345 29 2HG1 ILE 4 1HG1 ILE 4 -6.835 9.087 9.087 30 1HG2 ILE 4 2HG2 ILE 4 -7.294 9.800 9.800 31 2HG2 ILE 4 1HG2 ILE 4 -6.778 10.588 10.588 32 3HG2 ILE 4 3HG2 ILE 4 -8.481 10.248 10.248 33 1HD1 ILE 4 2HD1 ILE 4 -8.898 6.880 6.880 34 2HD1 ILE 4 1HD1 ILE 4 -8.335 7.494 7.494 35 3HD1 ILE 4 3HD1 ILE 4 -7.252 6.606 6.606 36 H ASP 5 H ASP 5 -6.284 5.680 5.680 37 HA ASP 5 HA ASP 5 -4.819 4.103 4.103 38 1HB ASP 5 2HB ASP 5 -6.790 3.043 3.043 39 2HB ASP 5 1HB ASP 5 -5.407 2.217 2.217 40 H THR 6 H THR 6 -5.847 2.308 2.308 41 HA THR 6 HA THR 6 -8.736 2.493 2.493 42 HB THR 6 HB THR 6 -7.333 4.135 4.135 43 HG1 THR 6 1HG THR 6 -9.080 3.802 3.802 44 1HG2 THR 6 2HG2 THR 6 -5.486 2.443 2.443 45 2HG2 THR 6 1HG2 THR 6 -6.698 1.487 1.487 46 3HG2 THR 6 3HG2 THR 6 -6.292 3.095 3.095 47 H ILE 7 H ILE 7 -6.800 0.854 0.854 48 HA ILE 7 HA ILE 7 -7.084 -1.705 -1.705 49 HB ILE 7 HB ILE 7 -4.684 -0.692 -0.692 50 1HG1 ILE 7 2HG1 ILE 7 -3.688 -2.875 -2.875 51 2HG1 ILE 7 1HG1 ILE 7 -5.322 -3.476 -3.476 52 1HG2 ILE 7 2HG2 ILE 7 -5.004 0.079 0.079 53 2HG2 ILE 7 1HG2 ILE 7 -5.234 -1.585 -1.585 54 3HG2 ILE 7 3HG2 ILE 7 -3.705 -1.082 -1.082 55 1HD1 ILE 7 2HD1 ILE 7 -5.626 -2.995 -2.995 56 2HD1 ILE 7 1HD1 ILE 7 -3.954 -2.453 -2.453 57 3HD1 ILE 7 3HD1 ILE 7 -4.325 -4.139 -4.139 58 HA PRO 8 HA PRO 8 -8.503 -3.061 -3.061 59 1HB PRO 8 2HB PRO 8 -8.256 -5.720 -5.720 60 2HB PRO 8 1HB PRO 8 -9.580 -4.907 -4.907 61 1HG PRO 8 2HG PRO 8 -6.776 -5.517 -5.517 62 2HG PRO 8 1HG PRO 8 -8.320 -6.068 -6.068 63 1HD PRO 8 2HD PRO 8 -7.244 -3.828 -3.828 64 2HD PRO 8 1HD PRO 8 -8.984 -3.828 -3.828 65 H LYS 9 H LYS 9 -7.118 -2.749 -2.749 66 HA LYS 9 HA LYS 9 -4.338 -2.664 -2.664 67 1HB LYS 9 2HB LYS 9 -5.807 -1.764 -1.764 68 2HB LYS 9 1HB LYS 9 -5.945 -3.409 -3.409 69 1HG LYS 9 2HG LYS 9 -3.211 -2.405 -2.405 70 2HG LYS 9 1HG LYS 9 -4.036 -1.733 -1.733 71 1HD LYS 9 2HD LYS 9 -3.995 -3.863 -3.863 72 2HD LYS 9 1HD LYS 9 -3.568 -4.661 -4.661 73 1HE LYS 9 2HE LYS 9 -1.478 -4.250 -4.250 74 2HE LYS 9 1HE LYS 9 -1.374 -3.503 -3.503 75 1HZ LYS 9 2HZ LYS 9 -2.597 -1.676 -1.676 76 2HZ LYS 9 1HZ LYS 9 -1.147 -2.218 -2.218 77 3HZ LYS 9 3HZ LYS 9 -1.181 -1.449 -1.449 78 H SER 10 H SER 10 -6.579 -5.080 -5.080 79 HA SER 10 HA SER 10 -5.239 -7.143 -7.143 80 1HB SER 10 2HB SER 10 -7.054 -7.809 -7.809 81 2HB SER 10 1HB SER 10 -7.234 -8.351 -8.351 82 HG SER 10 HG SER 10 -8.727 -6.785 -6.785 83 H ARG 11 H ARG 11 -5.139 -5.997 -5.997 84 HA ARG 11 HA ARG 11 -3.454 -8.133 -8.133 85 1HB ARG 11 2HB ARG 11 -5.227 -6.673 -6.673 86 2HB ARG 11 1HB ARG 11 -3.998 -5.418 -5.418 87 1HG ARG 11 2HG ARG 11 -3.886 -6.552 -6.552 88 2HG ARG 11 1HG ARG 11 -2.484 -6.997 -6.997 89 1HD ARG 11 2HD ARG 11 -3.552 -9.094 -9.094 90 2HD ARG 11 1HD ARG 11 -5.010 -8.677 -8.677 91 HE ARG 11 HE ARG 11 -2.311 -8.943 -8.943 92 1HH1 ARG 11 1HH2 ARG 11 -4.741 -8.223 -8.223 93 2HH1 ARG 11 2HH2 ARG 11 -5.215 -9.700 -9.700 94 1HH2 ARG 11 2HH1 ARG 11 -3.238 -11.518 -11.518 95 2HH2 ARG 11 1HH1 ARG 11 -4.303 -11.759 -11.759 96 H CYS 12 H CYS 12 -3.154 -4.985 -4.985 97 HA CYS 12 HA CYS 12 -0.198 -5.006 -5.006 98 1HB CYS 12 2HB CYS 12 -2.148 -2.859 -2.859 99 2HB CYS 12 1HB CYS 12 -0.909 -2.673 -2.673 100 H THR 13 H THR 13 -1.269 -6.920 -6.920 101 HA THR 13 HA THR 13 -1.237 -6.464 -6.464 102 HB THR 13 HB THR 13 -2.218 -8.573 -8.573 103 HG1 THR 13 1HG THR 13 -0.184 -9.944 -9.944 104 1HG2 THR 13 2HG2 THR 13 0.491 -9.225 -9.225 105 2HG2 THR 13 1HG2 THR 13 -0.927 -10.275 -10.275 106 3HG2 THR 13 3HG2 THR 13 -0.977 -8.790 -8.790 107 H ALA 14 H ALA 14 0.521 -7.233 -7.233 108 HA ALA 14 HA ALA 14 2.889 -5.779 -5.779 109 1HB ALA 14 1HB ALA 14 2.559 -8.397 -8.397 110 2HB ALA 14 3HB ALA 14 3.869 -7.247 -7.247 111 3HB ALA 14 2HB ALA 14 2.232 -6.790 -6.790 112 H PHE 15 H PHE 15 2.018 -8.719 -8.719 113 HA PHE 15 HA PHE 15 4.641 -9.709 -9.709 114 1HB PHE 15 2HB PHE 15 2.242 -10.636 -10.636 115 2HB PHE 15 1HB PHE 15 3.511 -11.564 -11.564 116 HD1 PHE 15 2HD PHE 15 2.994 -10.228 -10.228 117 HD2 PHE 15 1HD PHE 15 0.523 -12.108 -12.108 118 HE1 PHE 15 2HE PHE 15 1.412 -10.884 -10.884 119 HE2 PHE 15 1HE PHE 15 -1.047 -12.764 -12.764 120 HZ PHE 15 HZ PHE 15 -0.611 -12.148 -12.148 121 H GLN 16 H GLN 16 2.134 -7.858 -7.858 122 HA GLN 16 HA GLN 16 3.757 -7.726 -7.726 123 1HB GLN 16 2HB GLN 16 0.911 -6.733 -6.733 124 2HB GLN 16 1HB GLN 16 1.528 -7.062 -7.062 125 1HG GLN 16 2HG GLN 16 1.978 -9.458 -9.458 126 2HG GLN 16 1HG GLN 16 0.351 -8.880 -8.880 127 1HE2 GLN 16 2HE2 GLN 16 1.563 -10.495 -10.495 128 2HE2 GLN 16 1HE2 GLN 16 2.730 -10.063 -10.063 129 H CYS 17 H CYS 17 2.685 -5.961 -5.961 130 HA CYS 17 HA CYS 17 3.043 -3.239 -3.239 131 1HB CYS 17 2HB CYS 17 2.246 -4.477 -4.477 132 2HB CYS 17 1HB CYS 17 3.853 -4.079 -4.079 133 H LYS 18 H LYS 18 5.240 -5.649 -5.649 134 HA LYS 18 HA LYS 18 7.478 -3.694 -3.694 135 1HB LYS 18 2HB LYS 18 7.190 -5.514 -5.514 136 2HB LYS 18 1HB LYS 18 8.077 -6.506 -6.506 137 1HG LYS 18 2HG LYS 18 9.748 -5.440 -5.440 138 2HG LYS 18 1HG LYS 18 9.801 -4.626 -4.626 139 1HD LYS 18 2HD LYS 18 8.271 -2.816 -2.816 140 2HD LYS 18 1HD LYS 18 8.326 -3.645 -3.645 141 1HE LYS 18 2HE LYS 18 10.851 -3.344 -3.344 142 2HE LYS 18 1HE LYS 18 10.697 -2.394 -2.394 143 1HZ LYS 18 1HZ LYS 18 8.876 -1.385 -1.385 144 2HZ LYS 18 3HZ LYS 18 10.385 -1.544 -1.544 145 3HZ LYS 18 2HZ LYS 18 10.242 -0.595 -0.595 146 H HIS 19 H HIS 19 6.296 -6.868 -6.868 147 HA HIS 19 HA HIS 19 8.326 -6.755 -6.755 148 1HB HIS 19 2HB HIS 19 6.719 -9.150 -9.150 149 2HB HIS 19 1HB HIS 19 8.075 -9.155 -9.155 150 HD1 HIS 19 1HD HIS 19 10.381 -8.288 -8.288 151 HD2 HIS 19 2HD HIS 19 7.437 -9.333 -9.333 152 HE1 HIS 19 1HE HIS 19 11.436 -8.629 -8.629 153 H SER 20 H SER 20 5.364 -5.618 -5.618 154 HA SER 20 HA SER 20 4.730 -6.688 -6.688 155 1HB SER 20 2HB SER 20 2.830 -5.948 -5.948 156 2HB SER 20 1HB SER 20 2.358 -6.468 -6.468 157 HG SER 20 HG SER 20 2.621 -8.446 -8.446 158 H MET 21 H MET 21 6.012 -4.675 -4.675 159 HA MET 21 HA MET 21 4.994 -2.088 -2.088 160 1HB MET 21 2HB MET 21 6.479 -3.146 -3.146 161 2HB MET 21 1HB MET 21 6.003 -1.466 -1.466 162 1HG MET 21 2HG MET 21 7.241 -2.171 -2.171 163 2HG MET 21 1HG MET 21 8.261 -2.744 -2.744 164 1HE MET 21 2HE MET 21 5.821 0.014 0.014 165 2HE MET 21 1HE MET 21 6.852 0.761 0.761 166 3HE MET 21 3HE MET 21 6.648 1.489 1.489 167 1HN DNP 22 HN DAP 22 3.614 -4.489 -4.489 168 HA DNP 22 HA DAP 22 2.129 -2.589 -2.589 169 1HB DNP 22 1HB DAP 22 1.999 -5.017 -5.017 170 2HB DNP 22 2HB DAP 22 0.384 -4.454 -4.454 171 1HG DNP 22 1HG DAP 22 1.838 -6.524 -6.524 172 2HG DNP 22 2HG DAP 22 0.272 -6.017 -6.017 173 3HG DNP 22 3HG DAP 22 1.545 -5.320 -5.320 174 H TYR 23 H TYR 23 1.741 -3.389 -3.389 175 HA TYR 23 HA TYR 23 -0.749 -1.722 -1.722 176 1HB TYR 23 2HB TYR 23 -0.057 -3.514 -3.514 177 2HB TYR 23 1HB TYR 23 -1.629 -2.999 -2.999 178 HD1 TYR 23 1HD TYR 23 -2.106 -3.819 -3.819 179 HD2 TYR 23 2HD TYR 23 0.338 -5.767 -5.767 180 HE1 TYR 23 1HE TYR 23 -2.453 -5.948 -5.948 181 HE2 TYR 23 2HE TYR 23 0.016 -7.889 -7.889 182 HH TYR 23 HH TYR 23 -1.953 -8.203 -8.203 183 H ARG 24 H ARG 24 2.243 -2.501 -2.501 184 HA ARG 24 HA ARG 24 2.392 -0.288 -0.288 185 1HB ARG 24 2HB ARG 24 3.830 -2.739 -2.739 186 2HB ARG 24 1HB ARG 24 5.015 -1.489 -1.489 187 1HG ARG 24 2HG ARG 24 2.988 -2.027 -2.027 188 2HG ARG 24 1HG ARG 24 4.682 -2.567 -2.567 189 1HD ARG 24 2HD ARG 24 3.536 0.221 0.221 190 2HD ARG 24 1HD ARG 24 4.551 -0.614 -0.614 191 HE ARG 24 HE ARG 24 5.538 0.364 0.364 192 1HH1 ARG 24 2HH1 ARG 24 6.432 -1.158 -1.158 193 2HH1 ARG 24 1HH1 ARG 24 7.775 -0.168 -0.168 194 1HH2 ARG 24 1HH2 ARG 24 7.033 2.180 2.180 195 2HH2 ARG 24 2HH2 ARG 24 8.154 1.828 1.828 196 H LEU 25 H LEU 25 2.054 0.303 0.303 197 HA LEU 25 HA LEU 25 4.370 2.096 2.096 198 1HB LEU 25 2HB LEU 25 4.038 0.577 0.577 199 2HB LEU 25 1HB LEU 25 2.356 0.671 0.671 200 HG LEU 25 HG LEU 25 2.596 3.085 3.085 201 1HD1 LEU 25 3HD1 LEU 25 5.599 2.568 2.568 202 2HD1 LEU 25 2HD1 LEU 25 4.851 3.972 3.972 203 3HD1 LEU 25 1HD1 LEU 25 4.716 3.723 3.723 204 1HD2 LEU 25 1HD2 LEU 25 2.630 1.199 1.199 205 2HD2 LEU 25 3HD2 LEU 25 3.660 2.510 2.510 206 3HD2 LEU 25 2HD2 LEU 25 4.373 1.078 1.078 207 H SER 26 H SER 26 1.115 2.177 2.177 208 HA SER 26 HA SER 26 0.633 4.655 4.655 209 1HB SER 26 2HB SER 26 1.458 5.085 5.085 210 2HB SER 26 1HB SER 26 -0.136 4.472 4.472 211 HG SER 26 HG SER 26 0.379 6.846 6.846 212 H PHE 27 H PHE 27 -0.294 1.664 1.664 213 HA PHE 27 HA PHE 27 -3.213 2.338 2.338 214 1HB PHE 27 2HB PHE 27 -2.132 -0.386 -0.386 215 2HB PHE 27 1HB PHE 27 -3.732 0.030 0.030 216 HD1 PHE 27 2HD PHE 27 -1.084 1.688 1.688 217 HD2 PHE 27 1HD PHE 27 -3.415 -1.864 -1.864 218 HE1 PHE 27 2HE PHE 27 -0.526 1.024 1.024 219 HE2 PHE 27 1HE PHE 27 -2.846 -2.507 -2.507 220 HZ PHE 27 HZ PHE 27 -1.395 -1.078 -1.078 221 H CYS 28 H CYS 28 -1.038 1.113 1.113 222 HA CYS 28 HA CYS 28 -3.261 1.630 1.630 223 1HB CYS 28 2HB CYS 28 -0.771 0.297 0.297 224 2HB CYS 28 1HB CYS 28 -2.426 -0.211 -0.211 225 H ARG 29 H ARG 29 -2.171 3.674 3.674 226 HA ARG 29 HA ARG 29 0.012 5.052 5.052 227 1HB ARG 29 2HB ARG 29 -2.869 5.653 5.653 228 2HB ARG 29 1HB ARG 29 -1.790 6.937 6.937 229 1HG ARG 29 2HG ARG 29 -0.660 6.951 6.951 230 2HG ARG 29 1HG ARG 29 -1.055 5.285 5.285 231 1HD ARG 29 2HD ARG 29 -3.290 5.771 5.771 232 2HD ARG 29 1HD ARG 29 -3.184 7.439 7.439 233 HE ARG 29 HE ARG 29 -1.708 6.242 6.242 234 1HH1 ARG 29 2HH1 ARG 29 -0.652 8.681 8.681 235 2HH1 ARG 29 1HH1 ARG 29 -1.333 9.968 9.968 236 1HH2 ARG 29 1HH2 ARG 29 -3.833 7.659 7.659 237 2HH2 ARG 29 2HH2 ARG 29 -3.348 9.314 9.314 238 H LYS 30 H LYS 30 -2.635 5.133 5.133 239 HA LYS 30 HA LYS 30 -0.650 5.796 5.796 240 1HB LYS 30 2HB LYS 30 -3.659 6.295 6.295 241 2HB LYS 30 1HB LYS 30 -2.531 6.850 6.850 242 1HG LYS 30 2HG LYS 30 -1.220 7.809 7.809 243 2HG LYS 30 1HG LYS 30 -2.822 7.742 7.742 244 1HD LYS 30 2HD LYS 30 -3.712 9.232 9.232 245 2HD LYS 30 1HD LYS 30 -2.201 9.175 9.175 246 1HE LYS 30 2HE LYS 30 -1.051 10.049 10.049 247 2HE LYS 30 1HE LYS 30 -2.669 10.401 10.401 248 1HZ LYS 30 3HZ LYS 30 -2.455 11.460 11.460 249 2HZ LYS 30 2HZ LYS 30 -1.056 11.878 11.878 250 3HZ LYS 30 1HZ LYS 30 -2.596 12.280 12.280 251 H THR 31 H THR 31 -2.341 3.369 3.369 252 HA THR 31 HA THR 31 -3.167 2.028 2.028 253 HB THR 31 HB THR 31 -3.144 1.358 1.358 254 HG1 THR 31 1HG THR 31 -4.780 2.580 2.580 255 1HG2 THR 31 3HG2 THR 31 -4.087 -0.387 -0.387 256 2HG2 THR 31 2HG2 THR 31 -4.243 -0.660 -0.660 257 3HG2 THR 31 1HG2 THR 31 -2.648 -0.771 -0.771 258 H CYS 32 H CYS 32 -0.397 2.327 2.327 259 HA CYS 32 HA CYS 32 1.070 0.434 0.434 260 1HB CYS 32 2HB CYS 32 1.165 0.663 0.663 261 2HB CYS 32 1HB CYS 32 2.665 0.405 0.405 262 H GLY 33 H GLY 33 1.223 3.119 3.119 263 1HA GLY 33 2HA GLY 33 1.948 5.346 5.346 264 2HA GLY 33 1HA GLY 33 3.138 4.462 4.462 265 H THR 34 H THR 34 2.071 4.628 4.628 266 HA THR 34 HA THR 34 4.907 4.386 4.386 267 HB THR 34 HB THR 34 3.884 3.829 3.829 268 HG1 THR 34 1HG THR 34 1.992 4.464 4.464 269 1HG2 THR 34 1HG2 THR 34 2.433 2.448 2.448 270 2HG2 THR 34 3HG2 THR 34 2.587 1.823 1.823 271 3HG2 THR 34 2HG2 THR 34 4.023 2.008 2.008 272 H CYS 35 HN CYS 35 2.276 6.671 6.671 273 HA CYS 35 HA CYS 35 3.745 8.591 8.591 274 1HB CYS 35 2HB CYS 35 1.605 9.611 9.611 275 2HB CYS 35 1HB CYS 35 1.525 8.004 8.004 Start of MODEL 6 1 1H ARG 1 3H ARG 1 -2.368 18.532 18.532 2 2H ARG 1 2H ARG 1 -0.915 19.217 19.217 3 3H ARG 1 1H ARG 1 -2.346 19.433 19.433 4 HA ARG 1 HA ARG 1 -1.960 17.552 17.552 5 1HB ARG 1 2HB ARG 1 0.439 17.366 17.366 6 2HB ARG 1 1HB ARG 1 0.120 16.121 16.121 7 1HG ARG 1 2HG ARG 1 1.846 17.651 17.651 8 2HG ARG 1 1HG ARG 1 0.478 17.607 17.607 9 1HD ARG 1 2HD ARG 1 -0.254 19.856 19.856 10 2HD ARG 1 1HD ARG 1 0.979 19.856 19.856 11 HE ARG 1 HE ARG 1 2.698 19.907 19.907 12 1HH1 ARG 1 1HH2 ARG 1 1.165 18.881 18.881 13 2HH1 ARG 1 2HH2 ARG 1 0.769 20.249 20.249 14 1HH2 ARG 1 1HH1 ARG 1 1.504 22.412 22.412 15 2HH2 ARG 1 2HH1 ARG 1 0.986 22.431 22.431 16 H SER 2 H SER 2 -2.516 15.193 15.193 17 HA SER 2 HA SER 2 -2.942 14.272 14.272 18 1HB SER 2 2HB SER 2 -5.272 14.680 14.680 19 2HB SER 2 1HB SER 2 -5.424 13.960 13.960 20 HG SER 2 HG SER 2 -4.137 16.103 16.103 21 H CYS 3 H CYS 3 -3.474 11.976 11.976 22 HA CYS 3 HA CYS 3 -3.331 10.526 10.526 23 1HB CYS 3 2HB CYS 3 -1.379 9.286 9.286 24 2HB CYS 3 1HB CYS 3 -0.979 10.966 10.966 25 H ILE 4 H ILE 4 -4.752 8.775 8.775 26 HA ILE 4 HA ILE 4 -5.411 7.986 7.986 27 HB ILE 4 HB ILE 4 -7.802 7.789 7.789 28 1HG1 ILE 4 2HG1 ILE 4 -8.329 9.268 9.268 29 2HG1 ILE 4 1HG1 ILE 4 -6.671 9.077 9.077 30 1HG2 ILE 4 2HG2 ILE 4 -7.036 9.792 9.792 31 2HG2 ILE 4 1HG2 ILE 4 -6.557 10.564 10.564 32 3HG2 ILE 4 3HG2 ILE 4 -8.247 10.230 10.230 33 1HD1 ILE 4 3HD1 ILE 4 -8.686 6.819 6.819 34 2HD1 ILE 4 2HD1 ILE 4 -8.127 7.423 7.423 35 3HD1 ILE 4 1HD1 ILE 4 -7.035 6.548 6.548 36 H ASP 5 H ASP 5 -6.160 5.879 5.879 37 HA ASP 5 HA ASP 5 -4.794 3.956 3.956 38 1HB ASP 5 2HB ASP 5 -6.899 3.348 3.348 39 2HB ASP 5 1HB ASP 5 -5.680 2.267 2.267 40 H THR 6 H THR 6 -5.982 2.243 2.243 41 HA THR 6 HA THR 6 -8.869 2.601 2.601 42 HB THR 6 HB THR 6 -7.869 4.179 4.179 43 HG1 THR 6 1HG THR 6 -8.611 1.674 1.674 44 1HG2 THR 6 3HG2 THR 6 -6.262 1.788 1.788 45 2HG2 THR 6 2HG2 THR 6 -6.302 3.397 3.397 46 3HG2 THR 6 1HG2 THR 6 -5.573 3.147 3.147 47 H ILE 7 H ILE 7 -7.081 0.890 0.890 48 HA ILE 7 HA ILE 7 -7.624 -1.637 -1.637 49 HB ILE 7 HB ILE 7 -5.254 -0.731 -0.731 50 1HG1 ILE 7 2HG1 ILE 7 -4.017 -2.752 -2.752 51 2HG1 ILE 7 1HG1 ILE 7 -5.484 -3.349 -3.349 52 1HG2 ILE 7 3HG2 ILE 7 -5.110 0.309 0.309 53 2HG2 ILE 7 2HG2 ILE 7 -5.085 -1.280 -1.280 54 3HG2 ILE 7 1HG2 ILE 7 -3.788 -0.776 -0.776 55 1HD1 ILE 7 1HD1 ILE 7 -6.603 -3.242 -3.242 56 2HD1 ILE 7 3HD1 ILE 7 -5.088 -2.685 -2.685 57 3HD1 ILE 7 2HD1 ILE 7 -5.204 -4.301 -4.301 58 HA PRO 8 HA PRO 8 -8.673 -3.154 -3.154 59 1HB PRO 8 2HB PRO 8 -8.299 -5.812 -5.812 60 2HB PRO 8 1HB PRO 8 -9.736 -5.006 -5.006 61 1HG PRO 8 2HG PRO 8 -7.038 -5.393 -5.393 62 2HG PRO 8 1HG PRO 8 -8.622 -5.997 -5.997 63 1HD PRO 8 2HD PRO 8 -7.910 -3.684 -3.684 64 2HD PRO 8 1HD PRO 8 -9.518 -3.740 -3.740 65 H LYS 9 H LYS 9 -7.295 -2.772 -2.772 66 HA LYS 9 HA LYS 9 -4.496 -2.705 -2.705 67 1HB LYS 9 2HB LYS 9 -5.846 -1.718 -1.718 68 2HB LYS 9 1HB LYS 9 -6.159 -3.314 -3.314 69 1HG LYS 9 2HG LYS 9 -3.278 -2.638 -2.638 70 2HG LYS 9 1HG LYS 9 -4.084 -1.814 -1.814 71 1HD LYS 9 2HD LYS 9 -4.344 -3.757 -3.757 72 2HD LYS 9 1HD LYS 9 -4.333 -4.791 -4.791 73 1HE LYS 9 2HE LYS 9 -2.185 -4.779 -4.779 74 2HE LYS 9 1HE LYS 9 -2.025 -4.710 -4.710 75 1HZ LYS 9 1HZ LYS 9 -2.181 -2.052 -2.052 76 2HZ LYS 9 3HZ LYS 9 -1.058 -2.851 -2.851 77 3HZ LYS 9 2HZ LYS 9 -0.892 -2.859 -2.859 78 H SER 10 H SER 10 -6.676 -5.114 -5.114 79 HA SER 10 HA SER 10 -5.216 -7.245 -7.245 80 1HB SER 10 2HB SER 10 -7.766 -7.219 -7.219 81 2HB SER 10 1HB SER 10 -7.187 -7.785 -7.785 82 HG SER 10 HG SER 10 -6.464 -9.623 -9.623 83 H ARG 11 H ARG 11 -5.188 -5.967 -5.967 84 HA ARG 11 HA ARG 11 -3.460 -8.089 -8.089 85 1HB ARG 11 2HB ARG 11 -5.140 -6.394 -6.394 86 2HB ARG 11 1HB ARG 11 -3.731 -5.360 -5.360 87 1HG ARG 11 2HG ARG 11 -3.668 -6.641 -6.641 88 2HG ARG 11 1HG ARG 11 -2.336 -7.110 -7.110 89 1HD ARG 11 2HD ARG 11 -3.767 -9.086 -9.086 90 2HD ARG 11 1HD ARG 11 -4.948 -8.603 -8.603 91 HE ARG 11 HE ARG 11 -2.081 -9.324 -9.324 92 1HH1 ARG 11 2HH1 ARG 11 -2.745 -8.667 -8.667 93 2HH1 ARG 11 1HH1 ARG 11 -3.714 -9.877 -9.877 94 1HH2 ARG 11 1HH2 ARG 11 -4.488 -11.249 -11.249 95 2HH2 ARG 11 2HH2 ARG 11 -4.800 -11.483 -11.483 96 H CYS 12 H CYS 12 -3.254 -4.878 -4.878 97 HA CYS 12 HA CYS 12 -0.282 -4.950 -4.950 98 1HB CYS 12 2HB CYS 12 -2.241 -2.782 -2.782 99 2HB CYS 12 1HB CYS 12 -0.908 -2.611 -2.611 100 H THR 13 H THR 13 -1.217 -6.905 -6.905 101 HA THR 13 HA THR 13 -1.246 -6.635 -6.635 102 HB THR 13 HB THR 13 -2.253 -8.690 -8.690 103 HG1 THR 13 1HG THR 13 -0.262 -10.118 -10.118 104 1HG2 THR 13 3HG2 THR 13 0.479 -9.286 -9.286 105 2HG2 THR 13 2HG2 THR 13 -0.926 -10.356 -10.356 106 3HG2 THR 13 1HG2 THR 13 -0.996 -8.844 -8.844 107 H ALA 14 H ALA 14 0.450 -7.353 -7.353 108 HA ALA 14 HA ALA 14 2.796 -5.905 -5.905 109 1HB ALA 14 2HB ALA 14 2.466 -8.684 -8.684 110 2HB ALA 14 1HB ALA 14 3.747 -7.546 -7.546 111 3HB ALA 14 3HB ALA 14 2.084 -7.157 -7.157 112 H PHE 15 H PHE 15 2.093 -8.833 -8.833 113 HA PHE 15 HA PHE 15 4.720 -9.685 -9.685 114 1HB PHE 15 2HB PHE 15 2.217 -10.462 -10.462 115 2HB PHE 15 1HB PHE 15 3.600 -11.451 -11.451 116 HD1 PHE 15 2HD PHE 15 3.470 -10.514 -10.514 117 HD2 PHE 15 1HD PHE 15 0.699 -12.185 -12.185 118 HE1 PHE 15 2HE PHE 15 2.172 -11.459 -11.459 119 HE2 PHE 15 1HE PHE 15 -0.586 -13.125 -13.125 120 HZ PHE 15 HZ PHE 15 0.142 -12.761 -12.761 121 H GLN 16 H GLN 16 2.140 -7.926 -7.926 122 HA GLN 16 HA GLN 16 3.775 -7.554 -7.554 123 1HB GLN 16 2HB GLN 16 0.976 -6.509 -6.509 124 2HB GLN 16 1HB GLN 16 1.732 -6.912 -6.912 125 1HG GLN 16 2HG GLN 16 1.933 -9.294 -9.294 126 2HG GLN 16 1HG GLN 16 0.350 -8.650 -8.650 127 1HE2 GLN 16 2HE2 GLN 16 1.057 -10.424 -10.424 128 2HE2 GLN 16 1HE2 GLN 16 2.279 -10.298 -10.298 129 H CYS 17 H CYS 17 2.784 -5.944 -5.944 130 HA CYS 17 HA CYS 17 2.958 -3.198 -3.198 131 1HB CYS 17 2HB CYS 17 2.153 -4.149 -4.149 132 2HB CYS 17 1HB CYS 17 3.805 -4.169 -4.169 133 H LYS 18 H LYS 18 5.193 -5.566 -5.566 134 HA LYS 18 HA LYS 18 7.536 -3.723 -3.723 135 1HB LYS 18 2HB LYS 18 7.000 -6.328 -6.328 136 2HB LYS 18 1HB LYS 18 8.584 -6.120 -6.120 137 1HG LYS 18 2HG LYS 18 8.701 -3.870 -3.870 138 2HG LYS 18 1HG LYS 18 7.168 -4.278 -4.278 139 1HD LYS 18 2HD LYS 18 8.153 -6.215 -6.215 140 2HD LYS 18 1HD LYS 18 9.665 -6.026 -6.026 141 1HE LYS 18 2HE LYS 18 9.960 -3.740 -3.740 142 2HE LYS 18 1HE LYS 18 8.491 -4.005 -4.005 143 1HZ LYS 18 2HZ LYS 18 10.156 -6.225 -6.225 144 2HZ LYS 18 1HZ LYS 18 11.083 -4.834 -4.834 145 3HZ LYS 18 3HZ LYS 18 9.637 -5.070 -5.070 146 H HIS 19 H HIS 19 6.324 -6.829 -6.829 147 HA HIS 19 HA HIS 19 8.256 -6.651 -6.651 148 1HB HIS 19 2HB HIS 19 6.418 -8.895 -8.895 149 2HB HIS 19 1HB HIS 19 7.535 -8.989 -8.989 150 HD1 HIS 19 1HD HIS 19 10.097 -8.615 -8.615 151 HD2 HIS 19 2HD HIS 19 7.549 -9.356 -9.356 152 HE1 HIS 19 1HE HIS 19 11.447 -9.306 -9.306 153 H SER 20 H SER 20 4.796 -5.967 -5.967 154 HA SER 20 HA SER 20 4.759 -6.517 -6.517 155 1HB SER 20 2HB SER 20 2.504 -5.804 -5.804 156 2HB SER 20 1HB SER 20 2.350 -6.383 -6.383 157 HG SER 20 HG SER 20 2.393 -8.345 -8.345 158 H MET 21 H MET 21 6.154 -4.634 -4.634 159 HA MET 21 HA MET 21 5.222 -1.890 -1.890 160 1HB MET 21 2HB MET 21 7.679 -2.803 -2.803 161 2HB MET 21 1HB MET 21 7.373 -3.141 -3.141 162 1HG MET 21 2HG MET 21 8.544 -1.207 -1.207 163 2HG MET 21 1HG MET 21 6.933 -0.588 -0.588 164 1HE MET 21 3HE MET 21 5.768 0.540 0.540 165 2HE MET 21 2HE MET 21 6.432 1.512 1.512 166 3HE MET 21 1HE MET 21 6.768 1.954 1.954 167 1HN DNP 22 HN DAP 22 3.207 -2.447 -2.447 168 HA DNP 22 HA DAP 22 2.604 -1.317 -1.317 169 1HB DNP 22 1HB DAP 22 1.251 -3.256 -3.256 170 2HB DNP 22 2HB DAP 22 1.744 -4.225 -4.225 171 1HG DNP 22 1HG DAP 22 4.048 -3.213 -3.213 172 2HG DNP 22 2HG DAP 22 3.057 -3.980 -3.980 173 3HG DNP 22 3HG DAP 22 3.606 -4.817 -4.817 174 H TYR 23 H TYR 23 1.333 -3.434 -3.434 175 HA TYR 23 HA TYR 23 -0.968 -1.632 -1.632 176 1HB TYR 23 2HB TYR 23 -0.091 -3.480 -3.480 177 2HB TYR 23 1HB TYR 23 -1.716 -3.082 -3.082 178 HD1 TYR 23 1HD TYR 23 -2.066 -3.788 -3.788 179 HD2 TYR 23 2HD TYR 23 0.356 -5.743 -5.743 180 HE1 TYR 23 1HE TYR 23 -2.220 -5.870 -5.870 181 HE2 TYR 23 2HE TYR 23 0.214 -7.797 -7.797 182 HH TYR 23 HH TYR 23 -0.192 -8.398 -8.398 183 H ARG 24 H ARG 24 1.954 -2.528 -2.528 184 HA ARG 24 HA ARG 24 2.246 -0.407 -0.407 185 1HB ARG 24 2HB ARG 24 3.123 -2.967 -2.967 186 2HB ARG 24 1HB ARG 24 4.504 -2.162 -2.162 187 1HG ARG 24 2HG ARG 24 3.271 -1.751 -1.751 188 2HG ARG 24 1HG ARG 24 4.730 -2.670 -2.670 189 1HD ARG 24 2HD ARG 24 4.401 0.304 0.304 190 2HD ARG 24 1HD ARG 24 5.221 -0.487 -0.487 191 HE ARG 24 HE ARG 24 6.105 -0.595 -0.595 192 1HH1 ARG 24 1HH2 ARG 24 7.894 -2.492 -2.492 193 2HH1 ARG 24 2HH2 ARG 24 9.034 -1.886 -1.886 194 1HH2 ARG 24 2HH1 ARG 24 6.942 0.794 0.794 195 2HH2 ARG 24 1HH1 ARG 24 8.479 0.090 0.090 196 H LEU 25 H LEU 25 1.971 0.272 0.272 197 HA LEU 25 HA LEU 25 4.331 1.984 1.984 198 1HB LEU 25 2HB LEU 25 3.948 0.171 0.171 199 2HB LEU 25 1HB LEU 25 2.374 0.705 0.705 200 HG LEU 25 HG LEU 25 3.114 2.872 2.872 201 1HD1 LEU 25 3HD1 LEU 25 5.935 1.758 1.758 202 2HD1 LEU 25 2HD1 LEU 25 5.511 3.255 3.255 203 3HD1 LEU 25 1HD1 LEU 25 5.255 3.105 3.105 204 1HD2 LEU 25 1HD2 LEU 25 4.490 0.465 0.465 205 2HD2 LEU 25 3HD2 LEU 25 2.817 0.954 0.954 206 3HD2 LEU 25 2HD2 LEU 25 4.122 1.977 1.977 207 H SER 26 H SER 26 1.208 2.029 2.029 208 HA SER 26 HA SER 26 0.631 4.586 4.586 209 1HB SER 26 2HB SER 26 -0.276 5.317 5.317 210 2HB SER 26 1HB SER 26 1.491 5.120 5.120 211 HG SER 26 HG SER 26 -0.364 3.605 3.605 212 H PHE 27 H PHE 27 -0.351 1.710 1.710 213 HA PHE 27 HA PHE 27 -3.271 2.381 2.381 214 1HB PHE 27 2HB PHE 27 -2.346 -0.351 -0.351 215 2HB PHE 27 1HB PHE 27 -3.855 0.144 0.144 216 HD1 PHE 27 2HD PHE 27 -1.372 1.792 1.792 217 HD2 PHE 27 1HD PHE 27 -3.117 -2.010 -2.010 218 HE1 PHE 27 2HE PHE 27 -0.662 1.024 1.024 219 HE2 PHE 27 1HE PHE 27 -2.402 -2.780 -2.780 220 HZ PHE 27 HZ PHE 27 -1.168 -1.271 -1.271 221 H CYS 28 H CYS 28 -1.146 1.152 1.152 222 HA CYS 28 HA CYS 28 -3.398 1.640 1.640 223 1HB CYS 28 2HB CYS 28 -1.037 0.226 0.226 224 2HB CYS 28 1HB CYS 28 -2.727 -0.197 -0.197 225 H ARG 29 H ARG 29 -2.094 3.635 3.635 226 HA ARG 29 HA ARG 29 0.154 4.829 4.829 227 1HB ARG 29 2HB ARG 29 -2.591 5.738 5.738 228 2HB ARG 29 1HB ARG 29 -1.585 6.854 6.854 229 1HG ARG 29 2HG ARG 29 -0.666 7.552 7.552 230 2HG ARG 29 1HG ARG 29 0.125 6.026 6.026 231 1HD ARG 29 2HD ARG 29 -1.056 6.052 6.052 232 2HD ARG 29 1HD ARG 29 -2.163 5.159 5.159 233 HE ARG 29 HE ARG 29 -3.104 7.601 7.601 234 1HH1 ARG 29 1HH2 ARG 29 -1.578 8.504 8.504 235 2HH1 ARG 29 2HH2 ARG 29 -2.716 8.335 8.335 236 1HH2 ARG 29 2HH1 ARG 29 -4.732 6.318 6.318 237 2HH2 ARG 29 1HH1 ARG 29 -4.712 6.933 6.933 238 H LYS 30 H LYS 30 -2.501 4.968 4.968 239 HA LYS 30 HA LYS 30 -0.647 5.934 5.934 240 1HB LYS 30 2HB LYS 30 -3.699 5.789 5.789 241 2HB LYS 30 1HB LYS 30 -2.764 6.419 6.419 242 1HG LYS 30 2HG LYS 30 -1.472 7.838 7.838 243 2HG LYS 30 1HG LYS 30 -2.667 7.350 7.350 244 1HD LYS 30 2HD LYS 30 -4.391 8.595 8.595 245 2HD LYS 30 1HD LYS 30 -3.627 8.763 8.763 246 1HE LYS 30 2HE LYS 30 -2.482 9.807 9.807 247 2HE LYS 30 1HE LYS 30 -3.343 10.815 10.815 248 1HZ LYS 30 1HZ LYS 30 -1.342 9.466 9.466 249 2HZ LYS 30 3HZ LYS 30 -0.623 10.002 10.002 250 3HZ LYS 30 2HZ LYS 30 -1.352 11.114 11.114 251 H THR 31 H THR 31 -3.021 3.589 3.589 252 HA THR 31 HA THR 31 -3.183 1.912 1.912 253 HB THR 31 HB THR 31 -3.170 1.411 1.411 254 HG1 THR 31 1HG THR 31 -4.939 2.415 2.415 255 1HG2 THR 31 2HG2 THR 31 -3.879 -0.519 -0.519 256 2HG2 THR 31 1HG2 THR 31 -4.126 -0.751 -0.751 257 3HG2 THR 31 3HG2 THR 31 -2.488 -0.757 -0.757 258 H CYS 32 H CYS 32 -0.392 2.188 2.188 259 HA CYS 32 HA CYS 32 1.006 0.228 0.228 260 1HB CYS 32 2HB CYS 32 0.793 -0.696 -0.696 261 2HB CYS 32 1HB CYS 32 1.590 0.718 0.718 262 H GLY 33 H GLY 33 1.239 3.029 3.029 263 1HA GLY 33 2HA GLY 33 2.184 5.098 5.098 264 2HA GLY 33 1HA GLY 33 3.419 4.080 4.080 265 H THR 34 H THR 34 2.156 4.519 4.519 266 HA THR 34 HA THR 34 4.995 4.521 4.521 267 HB THR 34 HB THR 34 3.987 4.113 4.113 268 HG1 THR 34 1HG THR 34 2.008 4.414 4.414 269 1HG2 THR 34 1HG2 THR 34 2.850 2.383 2.383 270 2HG2 THR 34 3HG2 THR 34 2.955 1.929 1.929 271 3HG2 THR 34 2HG2 THR 34 4.434 2.214 2.214 272 H CYS 35 HN CYS 35 2.339 6.767 6.767 273 HA CYS 35 HA CYS 35 3.842 8.760 8.760 274 1HB CYS 35 2HB CYS 35 1.729 9.742 9.742 275 2HB CYS 35 1HB CYS 35 1.726 8.176 8.176 Start of MODEL 7 1 1H ARG 1 2H ARG 1 -2.835 17.105 17.105 2 2H ARG 1 1H ARG 1 -1.662 18.324 18.324 3 3H ARG 1 3H ARG 1 -1.568 17.175 17.175 4 HA ARG 1 HA ARG 1 -0.362 15.796 15.796 5 1HB ARG 1 2HB ARG 1 0.378 18.033 18.033 6 2HB ARG 1 1HB ARG 1 -0.916 17.759 17.759 7 1HG ARG 1 2HG ARG 1 0.152 15.583 15.583 8 2HG ARG 1 1HG ARG 1 1.462 15.891 15.891 9 1HD ARG 1 2HD ARG 1 0.754 17.597 17.597 10 2HD ARG 1 1HD ARG 1 2.119 16.513 16.513 11 HE ARG 1 HE ARG 1 2.911 18.033 18.033 12 1HH1 ARG 1 1HH2 ARG 1 0.485 19.727 19.727 13 2HH1 ARG 1 2HH2 ARG 1 1.049 21.114 21.114 14 1HH2 ARG 1 1HH1 ARG 1 3.971 19.315 19.315 15 2HH2 ARG 1 2HH1 ARG 1 3.215 20.852 20.852 16 H SER 2 H SER 2 -2.622 14.825 14.825 17 HA SER 2 HA SER 2 -3.963 13.998 13.998 18 1HB SER 2 2HB SER 2 -5.317 14.268 14.268 19 2HB SER 2 1HB SER 2 -6.067 14.243 14.243 20 HG SER 2 HG SER 2 -5.738 16.321 16.321 21 H CYS 3 H CYS 3 -3.095 12.067 12.067 22 HA CYS 3 HA CYS 3 -3.104 10.086 10.086 23 1HB CYS 3 2HB CYS 3 -1.241 10.682 10.682 24 2HB CYS 3 1HB CYS 3 -1.384 9.029 9.029 25 H ILE 4 H ILE 4 -5.011 9.016 9.016 26 HA ILE 4 HA ILE 4 -5.687 7.990 7.990 27 HB ILE 4 HB ILE 4 -8.033 7.915 7.915 28 1HG1 ILE 4 2HG1 ILE 4 -8.517 9.272 9.272 29 2HG1 ILE 4 1HG1 ILE 4 -6.886 8.844 8.844 30 1HG2 ILE 4 2HG2 ILE 4 -7.253 9.972 9.972 31 2HG2 ILE 4 1HG2 ILE 4 -6.717 10.622 10.622 32 3HG2 ILE 4 3HG2 ILE 4 -8.425 10.368 10.368 33 1HD1 ILE 4 3HD1 ILE 4 -9.114 6.874 6.874 34 2HD1 ILE 4 2HD1 ILE 4 -8.524 7.239 7.239 35 3HD1 ILE 4 1HD1 ILE 4 -7.500 6.396 6.396 36 H ASP 5 H ASP 5 -6.110 5.887 5.887 37 HA ASP 5 HA ASP 5 -4.815 4.121 4.121 38 1HB ASP 5 2HB ASP 5 -6.660 3.451 3.451 39 2HB ASP 5 1HB ASP 5 -5.473 2.423 2.423 40 H THR 6 H THR 6 -5.838 2.498 2.498 41 HA THR 6 HA THR 6 -8.772 2.578 2.578 42 HB THR 6 HB THR 6 -7.833 4.201 4.201 43 HG1 THR 6 1HG THR 6 -8.512 1.675 1.675 44 1HG2 THR 6 1HG2 THR 6 -6.126 1.892 1.892 45 2HG2 THR 6 3HG2 THR 6 -6.226 3.509 3.509 46 3HG2 THR 6 2HG2 THR 6 -5.485 3.267 3.267 47 H ILE 7 H ILE 7 -6.990 0.975 0.975 48 HA ILE 7 HA ILE 7 -7.260 -1.557 -1.557 49 HB ILE 7 HB ILE 7 -4.879 -0.552 -0.552 50 1HG1 ILE 7 2HG1 ILE 7 -3.798 -2.722 -2.722 51 2HG1 ILE 7 1HG1 ILE 7 -5.347 -3.365 -3.365 52 1HG2 ILE 7 2HG2 ILE 7 -5.194 0.087 0.087 53 2HG2 ILE 7 1HG2 ILE 7 -5.205 -1.625 -1.625 54 3HG2 ILE 7 3HG2 ILE 7 -3.785 -0.901 -0.901 55 1HD1 ILE 7 3HD1 ILE 7 -4.594 -2.351 -2.351 56 2HD1 ILE 7 2HD1 ILE 7 -4.726 -4.047 -4.047 57 3HD1 ILE 7 1HD1 ILE 7 -6.144 -3.023 -3.023 58 HA PRO 8 HA PRO 8 -8.763 -3.395 -3.395 59 1HB PRO 8 2HB PRO 8 -7.984 -5.967 -5.967 60 2HB PRO 8 1HB PRO 8 -9.530 -5.298 -5.298 61 1HG PRO 8 2HG PRO 8 -6.824 -5.197 -5.197 62 2HG PRO 8 1HG PRO 8 -8.340 -5.910 -5.910 63 1HD PRO 8 2HD PRO 8 -7.936 -3.440 -3.440 64 2HD PRO 8 1HD PRO 8 -9.474 -3.729 -3.729 65 H LYS 9 H LYS 9 -7.417 -2.712 -2.712 66 HA LYS 9 HA LYS 9 -4.608 -2.592 -2.592 67 1HB LYS 9 2HB LYS 9 -6.089 -1.660 -1.660 68 2HB LYS 9 1HB LYS 9 -6.436 -3.269 -3.269 69 1HG LYS 9 2HG LYS 9 -3.537 -2.556 -2.556 70 2HG LYS 9 1HG LYS 9 -4.469 -1.814 -1.814 71 1HD LYS 9 2HD LYS 9 -4.814 -3.918 -3.918 72 2HD LYS 9 1HD LYS 9 -4.481 -4.811 -4.811 73 1HE LYS 9 2HE LYS 9 -2.504 -4.861 -4.861 74 2HE LYS 9 1HE LYS 9 -2.100 -4.207 -4.207 75 1HZ LYS 9 2HZ LYS 9 -3.002 -2.079 -2.079 76 2HZ LYS 9 1HZ LYS 9 -1.820 -2.939 -2.939 77 3HZ LYS 9 3HZ LYS 9 -1.481 -2.302 -2.302 78 H SER 10 H SER 10 -6.820 -5.066 -5.066 79 HA SER 10 HA SER 10 -5.550 -7.166 -7.166 80 1HB SER 10 2HB SER 10 -7.168 -7.792 -7.792 81 2HB SER 10 1HB SER 10 -7.424 -8.366 -8.366 82 HG SER 10 HG SER 10 -8.933 -6.821 -6.821 83 H ARG 11 H ARG 11 -5.231 -6.070 -6.070 84 HA ARG 11 HA ARG 11 -3.412 -8.149 -8.149 85 1HB ARG 11 2HB ARG 11 -5.164 -6.612 -6.612 86 2HB ARG 11 1HB ARG 11 -3.821 -5.504 -5.504 87 1HG ARG 11 2HG ARG 11 -3.596 -6.871 -6.871 88 2HG ARG 11 1HG ARG 11 -2.328 -7.306 -7.306 89 1HD ARG 11 2HD ARG 11 -3.914 -9.228 -9.228 90 2HD ARG 11 1HD ARG 11 -4.887 -8.821 -8.821 91 HE ARG 11 HE ARG 11 -1.966 -9.631 -9.631 92 1HH1 ARG 11 2HH1 ARG 11 -2.624 -8.744 -8.744 93 2HH1 ARG 11 1HH1 ARG 11 -3.445 -10.021 -10.021 94 1HH2 ARG 11 1HH2 ARG 11 -4.027 -11.713 -11.713 95 2HH2 ARG 11 2HH2 ARG 11 -4.289 -11.859 -11.859 96 H CYS 12 H CYS 12 -3.303 -5.132 -5.132 97 HA CYS 12 HA CYS 12 -0.406 -4.726 -4.726 98 1HB CYS 12 2HB CYS 12 -2.432 -3.063 -3.063 99 2HB CYS 12 1HB CYS 12 -0.956 -2.505 -2.505 100 H THR 13 H THR 13 -1.293 -6.947 -6.947 101 HA THR 13 HA THR 13 -1.235 -6.648 -6.648 102 HB THR 13 HB THR 13 -2.229 -8.742 -8.742 103 HG1 THR 13 1HG THR 13 -0.186 -10.130 -10.130 104 1HG2 THR 13 2HG2 THR 13 0.411 -9.224 -9.224 105 2HG2 THR 13 1HG2 THR 13 -0.961 -10.331 -10.331 106 3HG2 THR 13 3HG2 THR 13 -1.113 -8.806 -8.806 107 H ALA 14 H ALA 14 0.520 -7.042 -7.042 108 HA ALA 14 HA ALA 14 2.843 -5.645 -5.645 109 1HB ALA 14 1HB ALA 14 2.218 -6.740 -6.740 110 2HB ALA 14 3HB ALA 14 2.605 -8.315 -8.315 111 3HB ALA 14 2HB ALA 14 3.877 -7.127 -7.127 112 H PHE 15 H PHE 15 2.151 -8.744 -8.744 113 HA PHE 15 HA PHE 15 4.659 -9.732 -9.732 114 1HB PHE 15 2HB PHE 15 2.137 -10.464 -10.464 115 2HB PHE 15 1HB PHE 15 3.439 -11.489 -11.489 116 HD1 PHE 15 2HD PHE 15 3.150 -10.281 -10.281 117 HD2 PHE 15 1HD PHE 15 0.551 -12.144 -12.144 118 HE1 PHE 15 2HE PHE 15 1.718 -11.078 -11.078 119 HE2 PHE 15 1HE PHE 15 -0.864 -12.936 -12.936 120 HZ PHE 15 HZ PHE 15 -0.287 -12.400 -12.400 121 H GLN 16 H GLN 16 2.091 -8.053 -8.053 122 HA GLN 16 HA GLN 16 3.745 -7.769 -7.769 123 1HB GLN 16 2HB GLN 16 0.910 -6.817 -6.817 124 2HB GLN 16 1HB GLN 16 1.558 -7.110 -7.110 125 1HG GLN 16 2HG GLN 16 1.931 -9.536 -9.536 126 2HG GLN 16 1HG GLN 16 0.305 -8.946 -8.946 127 1HE2 GLN 16 2HE2 GLN 16 1.510 -10.424 -10.424 128 2HE2 GLN 16 1HE2 GLN 16 2.683 -9.954 -9.954 129 H CYS 17 H CYS 17 2.623 -6.081 -6.081 130 HA CYS 17 HA CYS 17 2.922 -3.362 -3.362 131 1HB CYS 17 2HB CYS 17 2.059 -4.626 -4.626 132 2HB CYS 17 1HB CYS 17 3.555 -3.925 -3.925 133 H LYS 18 H LYS 18 5.070 -5.808 -5.808 134 HA LYS 18 HA LYS 18 7.396 -3.967 -3.967 135 1HB LYS 18 2HB LYS 18 6.772 -6.330 -6.330 136 2HB LYS 18 1HB LYS 18 8.295 -6.530 -6.530 137 1HG LYS 18 2HG LYS 18 8.972 -4.211 -4.211 138 2HG LYS 18 1HG LYS 18 7.471 -4.122 -4.122 139 1HD LYS 18 2HD LYS 18 8.122 -5.982 -5.982 140 2HD LYS 18 1HD LYS 18 9.539 -6.319 -6.319 141 1HE LYS 18 2HE LYS 18 10.462 -4.042 -4.042 142 2HE LYS 18 1HE LYS 18 9.066 -3.747 -3.747 143 1HZ LYS 18 2HZ LYS 18 10.143 -6.224 -6.224 144 2HZ LYS 18 1HZ LYS 18 11.422 -5.115 -5.115 145 3HZ LYS 18 3HZ LYS 18 10.083 -4.789 -4.789 146 H HIS 19 H HIS 19 6.141 -7.138 -7.138 147 HA HIS 19 HA HIS 19 8.149 -6.943 -6.943 148 1HB HIS 19 2HB HIS 19 6.633 -9.372 -9.372 149 2HB HIS 19 1HB HIS 19 7.878 -9.381 -9.381 150 HD1 HIS 19 1HD HIS 19 10.258 -8.509 -8.509 151 HD2 HIS 19 2HD HIS 19 7.576 -9.403 -9.403 152 HE1 HIS 19 1HE HIS 19 11.511 -8.749 -8.749 153 H SER 20 H SER 20 5.593 -5.474 -5.474 154 HA SER 20 HA SER 20 4.798 -6.639 -6.639 155 1HB SER 20 2HB SER 20 2.841 -5.910 -5.910 156 2HB SER 20 1HB SER 20 2.421 -6.437 -6.437 157 HG SER 20 HG SER 20 4.265 -8.137 -8.137 158 H MET 21 H MET 21 6.241 -4.686 -4.686 159 HA MET 21 HA MET 21 5.038 -2.067 -2.067 160 1HB MET 21 2HB MET 21 7.292 -3.139 -3.139 161 2HB MET 21 1HB MET 21 6.853 -1.450 -1.450 162 1HG MET 21 2HG MET 21 7.837 -3.077 -3.077 163 2HG MET 21 1HG MET 21 8.722 -1.833 -1.833 164 1HE MET 21 1HE MET 21 7.333 0.470 0.470 165 2HE MET 21 3HE MET 21 5.637 0.168 0.168 166 3HE MET 21 2HE MET 21 6.593 1.321 1.321 167 1HN DNP 22 HN DAP 22 3.071 -2.563 -2.563 168 HA DNP 22 HA DAP 22 2.342 -1.894 -1.894 169 1HB DNP 22 1HB DAP 22 0.867 -3.888 -3.888 170 2HB DNP 22 2HB DAP 22 1.312 -4.523 -4.523 171 1HG DNP 22 1HG DAP 22 3.058 -5.549 -5.549 172 2HG DNP 22 2HG DAP 22 3.663 -4.091 -4.091 173 3HG DNP 22 3HG DAP 22 2.578 -5.004 -5.004 174 H TYR 23 H TYR 23 1.221 -3.442 -3.442 175 HA TYR 23 HA TYR 23 -0.936 -1.503 -1.503 176 1HB TYR 23 2HB TYR 23 -0.118 -3.328 -3.328 177 2HB TYR 23 1HB TYR 23 -1.710 -2.945 -2.945 178 HD1 TYR 23 2HD TYR 23 -1.671 -3.613 -3.613 179 HD2 TYR 23 1HD TYR 23 0.101 -5.692 -5.692 180 HE1 TYR 23 2HE TYR 23 -1.818 -5.704 -5.704 181 HE2 TYR 23 1HE TYR 23 -0.027 -7.755 -7.755 182 HH TYR 23 HH TYR 23 -0.136 -8.437 -8.437 183 H ARG 24 H ARG 24 1.986 -2.372 -2.372 184 HA ARG 24 HA ARG 24 2.377 -0.172 -0.172 185 1HB ARG 24 2HB ARG 24 3.513 -2.701 -2.701 186 2HB ARG 24 1HB ARG 24 4.805 -1.596 -1.596 187 1HG ARG 24 2HG ARG 24 3.220 -1.841 -1.841 188 2HG ARG 24 1HG ARG 24 4.833 -2.523 -2.523 189 1HD ARG 24 2HD ARG 24 4.052 0.409 0.409 190 2HD ARG 24 1HD ARG 24 5.088 -0.556 -0.556 191 HE ARG 24 HE ARG 24 5.790 0.231 0.231 192 1HH1 ARG 24 2HH1 ARG 24 7.535 -1.725 -1.725 193 2HH1 ARG 24 1HH1 ARG 24 8.820 -1.165 -1.165 194 1HH2 ARG 24 1HH2 ARG 24 6.704 1.591 1.591 195 2HH2 ARG 24 2HH2 ARG 24 8.293 0.980 0.980 196 H LEU 25 H LEU 25 2.073 0.301 0.301 197 HA LEU 25 HA LEU 25 4.402 2.056 2.056 198 1HB LEU 25 2HB LEU 25 3.812 0.098 0.098 199 2HB LEU 25 1HB LEU 25 2.354 0.834 0.834 200 HG LEU 25 HG LEU 25 3.565 2.893 2.893 201 1HD1 LEU 25 1HD1 LEU 25 5.998 1.058 1.058 202 2HD1 LEU 25 3HD1 LEU 25 5.944 2.609 2.609 203 3HD1 LEU 25 2HD1 LEU 25 5.763 2.535 2.535 204 1HD2 LEU 25 1HD2 LEU 25 4.146 0.219 0.219 205 2HD2 LEU 25 3HD2 LEU 25 2.655 1.142 1.142 206 3HD2 LEU 25 2HD2 LEU 25 4.152 1.789 1.789 207 H SER 26 H SER 26 1.060 1.891 1.891 208 HA SER 26 HA SER 26 0.556 4.578 4.578 209 1HB SER 26 2HB SER 26 0.235 3.902 3.902 210 2HB SER 26 1HB SER 26 -0.218 5.440 5.440 211 HG SER 26 HG SER 26 2.192 5.073 5.073 212 H PHE 27 H PHE 27 -0.390 1.658 1.658 213 HA PHE 27 HA PHE 27 -3.304 2.346 2.346 214 1HB PHE 27 2HB PHE 27 -2.446 -0.438 -0.438 215 2HB PHE 27 1HB PHE 27 -3.925 0.123 0.123 216 HD1 PHE 27 2HD PHE 27 -1.647 1.799 1.799 217 HD2 PHE 27 1HD PHE 27 -3.031 -2.130 -2.130 218 HE1 PHE 27 2HE PHE 27 -0.935 1.062 1.062 219 HE2 PHE 27 1HE PHE 27 -2.326 -2.862 -2.862 220 HZ PHE 27 HZ PHE 27 -1.271 -1.272 -1.272 221 H CYS 28 H CYS 28 -1.145 1.116 1.116 222 HA CYS 28 HA CYS 28 -3.320 1.608 1.608 223 1HB CYS 28 2HB CYS 28 -0.807 0.301 0.301 224 2HB CYS 28 1HB CYS 28 -2.461 -0.229 -0.229 225 H ARG 29 H ARG 29 -2.081 3.552 3.552 226 HA ARG 29 HA ARG 29 0.145 4.858 4.858 227 1HB ARG 29 2HB ARG 29 -2.692 5.649 5.649 228 2HB ARG 29 1HB ARG 29 -1.522 6.904 6.904 229 1HG ARG 29 2HG ARG 29 -0.318 6.149 6.149 230 2HG ARG 29 1HG ARG 29 -1.441 4.831 4.831 231 1HD ARG 29 2HD ARG 29 -2.427 6.178 6.178 232 2HD ARG 29 1HD ARG 29 -3.195 6.903 6.903 233 HE ARG 29 HE ARG 29 -1.322 8.595 8.595 234 1HH1 ARG 29 1HH2 ARG 29 0.537 8.872 8.872 235 2HH1 ARG 29 2HH2 ARG 29 0.188 9.204 9.204 236 1HH2 ARG 29 2HH1 ARG 29 -3.169 8.049 8.049 237 2HH2 ARG 29 1HH1 ARG 29 -2.115 8.731 8.731 238 H LYS 30 H LYS 30 -2.581 5.145 5.145 239 HA LYS 30 HA LYS 30 -0.615 6.110 6.110 240 1HB LYS 30 2HB LYS 30 -3.643 5.911 5.911 241 2HB LYS 30 1HB LYS 30 -2.595 6.678 6.678 242 1HG LYS 30 2HG LYS 30 -1.718 8.077 8.077 243 2HG LYS 30 1HG LYS 30 -3.199 7.529 7.529 244 1HD LYS 30 2HD LYS 30 -4.569 8.530 8.530 245 2HD LYS 30 1HD LYS 30 -3.142 8.863 8.863 246 1HE LYS 30 2HE LYS 30 -2.341 10.335 10.335 247 2HE LYS 30 1HE LYS 30 -4.017 10.222 10.222 248 1HZ LYS 30 1HZ LYS 30 -4.092 10.780 10.780 249 2HZ LYS 30 3HZ LYS 30 -2.950 11.831 11.831 250 3HZ LYS 30 2HZ LYS 30 -4.555 11.800 11.800 251 H THR 31 H THR 31 -2.495 3.447 3.447 252 HA THR 31 HA THR 31 -2.606 2.097 2.097 253 HB THR 31 HB THR 31 -2.885 1.220 1.220 254 HG1 THR 31 1HG THR 31 -4.667 2.163 2.163 255 1HG2 THR 31 2HG2 THR 31 -3.367 -0.376 -0.376 256 2HG2 THR 31 1HG2 THR 31 -3.813 -0.843 -0.843 257 3HG2 THR 31 3HG2 THR 31 -2.114 -0.754 -0.754 258 H CYS 32 H CYS 32 -0.056 2.381 2.381 259 HA CYS 32 HA CYS 32 1.423 0.292 0.292 260 1HB CYS 32 2HB CYS 32 1.502 0.809 0.809 261 2HB CYS 32 1HB CYS 32 2.933 0.224 0.224 262 H GLY 33 H GLY 33 1.634 3.341 3.341 263 1HA GLY 33 2HA GLY 33 2.821 5.089 5.089 264 2HA GLY 33 1HA GLY 33 4.073 3.895 3.895 265 H THR 34 H THR 34 2.347 5.281 5.281 266 HA THR 34 HA THR 34 5.058 5.628 5.628 267 HB THR 34 HB THR 34 3.026 5.878 5.878 268 HG1 THR 34 1HG THR 34 2.494 3.992 3.992 269 1HG2 THR 34 3HG2 THR 34 4.459 3.307 3.307 270 2HG2 THR 34 2HG2 THR 34 3.800 3.583 3.583 271 3HG2 THR 34 1HG2 THR 34 5.202 4.490 4.490 272 H CYS 35 HN CYS 35 1.809 7.256 7.256 273 HA CYS 35 HA CYS 35 3.040 9.755 9.755 274 1HB CYS 35 2HB CYS 35 1.858 10.648 10.648 275 2HB CYS 35 1HB CYS 35 3.263 9.765 9.765 Start of MODEL 8 1 1H ARG 1 2H ARG 1 -1.068 16.498 16.498 2 2H ARG 1 1H ARG 1 -0.136 17.915 17.915 3 3H ARG 1 3H ARG 1 0.626 16.412 16.412 4 HA ARG 1 HA ARG 1 0.869 16.249 16.249 5 1HB ARG 1 2HB ARG 1 0.107 18.143 18.143 6 2HB ARG 1 1HB ARG 1 0.934 18.752 18.752 7 1HG ARG 1 2HG ARG 1 -1.323 19.244 19.244 8 2HG ARG 1 1HG ARG 1 -2.124 18.578 18.578 9 1HD ARG 1 2HD ARG 1 -1.037 20.349 20.349 10 2HD ARG 1 1HD ARG 1 -0.318 21.044 21.044 11 HE ARG 1 HE ARG 1 -3.294 20.825 20.825 12 1HH1 ARG 1 1HH1 ARG 1 -2.841 21.451 21.451 13 2HH1 ARG 1 2HH1 ARG 1 -2.675 23.161 23.161 14 1HH2 ARG 1 1HH2 ARG 1 -2.019 23.338 23.338 15 2HH2 ARG 1 2HH2 ARG 1 -2.169 24.321 24.321 16 H SER 2 H SER 2 -1.292 14.666 14.666 17 HA SER 2 HA SER 2 -2.797 14.124 14.124 18 1HB SER 2 2HB SER 2 -4.283 14.769 14.769 19 2HB SER 2 1HB SER 2 -5.037 14.435 14.435 20 HG SER 2 HG SER 2 -3.507 16.356 16.356 21 H CYS 3 H CYS 3 -3.740 12.059 12.059 22 HA CYS 3 HA CYS 3 -3.683 10.393 10.393 23 1HB CYS 3 2HB CYS 3 -1.702 9.027 9.027 24 2HB CYS 3 1HB CYS 3 -1.158 10.669 10.669 25 H ILE 4 H ILE 4 -4.636 8.420 8.420 26 HA ILE 4 HA ILE 4 -5.265 7.868 7.868 27 HB ILE 4 HB ILE 4 -7.704 7.561 7.561 28 1HG1 ILE 4 2HG1 ILE 4 -8.205 9.163 9.163 29 2HG1 ILE 4 1HG1 ILE 4 -6.561 8.858 8.858 30 1HG2 ILE 4 1HG2 ILE 4 -7.008 9.558 9.558 31 2HG2 ILE 4 3HG2 ILE 4 -6.593 10.396 10.396 32 3HG2 ILE 4 2HG2 ILE 4 -8.259 9.961 9.961 33 1HD1 ILE 4 1HD1 ILE 4 -8.678 6.703 6.703 34 2HD1 ILE 4 3HD1 ILE 4 -8.087 7.299 7.299 35 3HD1 ILE 4 2HD1 ILE 4 -7.025 6.390 6.390 36 H ASP 5 H ASP 5 -6.043 5.639 5.639 37 HA ASP 5 HA ASP 5 -4.640 3.838 3.838 38 1HB ASP 5 2HB ASP 5 -6.677 3.102 3.102 39 2HB ASP 5 1HB ASP 5 -5.376 2.108 2.108 40 H THR 6 H THR 6 -5.841 2.038 2.038 41 HA THR 6 HA THR 6 -8.706 2.403 2.403 42 HB THR 6 HB THR 6 -7.386 3.970 3.970 43 HG1 THR 6 1HG THR 6 -9.067 3.513 3.513 44 1HG2 THR 6 2HG2 THR 6 -5.395 2.441 2.441 45 2HG2 THR 6 1HG2 THR 6 -6.452 1.341 1.341 46 3HG2 THR 6 3HG2 THR 6 -6.140 2.950 2.950 47 H ILE 7 H ILE 7 -6.763 0.646 0.646 48 HA ILE 7 HA ILE 7 -7.389 -1.888 -1.888 49 HB ILE 7 HB ILE 7 -5.033 -1.242 -1.242 50 1HG1 ILE 7 2HG1 ILE 7 -3.801 -3.088 -3.088 51 2HG1 ILE 7 1HG1 ILE 7 -5.187 -3.503 -3.503 52 1HG2 ILE 7 2HG2 ILE 7 -4.847 0.122 0.122 53 2HG2 ILE 7 1HG2 ILE 7 -4.852 -1.367 -1.367 54 3HG2 ILE 7 3HG2 ILE 7 -3.539 -1.021 -1.021 55 1HD1 ILE 7 2HD1 ILE 7 -6.487 -3.921 -3.921 56 2HD1 ILE 7 1HD1 ILE 7 -5.036 -3.528 -3.528 57 3HD1 ILE 7 3HD1 ILE 7 -5.085 -4.954 -4.954 58 HA PRO 8 HA PRO 8 -8.773 -3.456 -3.456 59 1HB PRO 8 2HB PRO 8 -7.978 -6.067 -6.067 60 2HB PRO 8 1HB PRO 8 -9.579 -5.424 -5.424 61 1HG PRO 8 2HG PRO 8 -7.053 -5.361 -5.361 62 2HG PRO 8 1HG PRO 8 -8.642 -6.035 -6.035 63 1HD PRO 8 2HD PRO 8 -8.318 -3.598 -3.598 64 2HD PRO 8 1HD PRO 8 -9.694 -3.834 -3.834 65 H LYS 9 H LYS 9 -7.417 -2.672 -2.672 66 HA LYS 9 HA LYS 9 -4.617 -2.590 -2.590 67 1HB LYS 9 2HB LYS 9 -6.015 -1.563 -1.563 68 2HB LYS 9 1HB LYS 9 -6.464 -3.111 -3.111 69 1HG LYS 9 2HG LYS 9 -3.510 -2.582 -2.582 70 2HG LYS 9 1HG LYS 9 -4.421 -1.694 -1.694 71 1HD LYS 9 2HD LYS 9 -4.969 -3.625 -3.625 72 2HD LYS 9 1HD LYS 9 -4.818 -4.685 -4.685 73 1HE LYS 9 2HE LYS 9 -2.908 -4.886 -4.886 74 2HE LYS 9 1HE LYS 9 -2.431 -4.624 -4.624 75 1HZ LYS 9 2HZ LYS 9 -2.759 -2.087 -2.087 76 2HZ LYS 9 1HZ LYS 9 -1.886 -2.979 -2.979 77 3HZ LYS 9 3HZ LYS 9 -1.336 -2.848 -2.848 78 H SER 10 H SER 10 -6.783 -5.064 -5.064 79 HA SER 10 HA SER 10 -5.400 -7.167 -7.167 80 1HB SER 10 2HB SER 10 -7.827 -7.353 -7.353 81 2HB SER 10 1HB SER 10 -7.337 -7.461 -7.461 82 HG SER 10 HG SER 10 -7.554 -9.490 -9.490 83 H ARG 11 H ARG 11 -5.170 -6.098 -6.098 84 HA ARG 11 HA ARG 11 -3.318 -8.221 -8.221 85 1HB ARG 11 2HB ARG 11 -5.012 -6.529 -6.529 86 2HB ARG 11 1HB ARG 11 -3.505 -5.664 -5.664 87 1HG ARG 11 2HG ARG 11 -3.643 -7.211 -7.211 88 2HG ARG 11 1HG ARG 11 -2.315 -7.631 -7.631 89 1HD ARG 11 2HD ARG 11 -4.100 -9.335 -9.335 90 2HD ARG 11 1HD ARG 11 -4.966 -9.027 -9.027 91 HE ARG 11 HE ARG 11 -2.078 -9.887 -9.887 92 1HH1 ARG 11 1HH2 ARG 11 -2.763 -9.725 -9.725 93 2HH1 ARG 11 2HH2 ARG 11 -3.666 -11.117 -11.117 94 1HH2 ARG 11 2HH1 ARG 11 -4.318 -11.844 -11.844 95 2HH2 ARG 11 1HH1 ARG 11 -4.628 -12.467 -12.467 96 H CYS 12 H CYS 12 -3.377 -5.036 -5.036 97 HA CYS 12 HA CYS 12 -0.503 -4.581 -4.581 98 1HB CYS 12 2HB CYS 12 -2.615 -2.988 -2.988 99 2HB CYS 12 1HB CYS 12 -1.124 -2.405 -2.405 100 H THR 13 H THR 13 -1.000 -6.776 -6.776 101 HA THR 13 HA THR 13 -0.856 -6.391 -6.391 102 HB THR 13 HB THR 13 -1.811 -8.620 -8.620 103 HG1 THR 13 1HG THR 13 -0.033 -9.913 -9.913 104 1HG2 THR 13 1HG2 THR 13 0.476 -8.947 -8.947 105 2HG2 THR 13 3HG2 THR 13 -0.771 -10.142 -10.142 106 3HG2 THR 13 2HG2 THR 13 -1.193 -8.654 -8.654 107 H ALA 14 H ALA 14 1.057 -6.530 -6.530 108 HA ALA 14 HA ALA 14 3.260 -5.155 -5.155 109 1HB ALA 14 3HB ALA 14 2.955 -5.956 -5.956 110 2HB ALA 14 2HB ALA 14 3.317 -7.598 -7.598 111 3HB ALA 14 1HB ALA 14 4.554 -6.360 -6.360 112 H PHE 15 H PHE 15 2.551 -8.420 -8.420 113 HA PHE 15 HA PHE 15 4.833 -9.639 -9.639 114 1HB PHE 15 2HB PHE 15 2.107 -10.212 -10.212 115 2HB PHE 15 1HB PHE 15 3.421 -11.313 -11.313 116 HD1 PHE 15 2HD PHE 15 3.526 -9.987 -9.987 117 HD2 PHE 15 1HD PHE 15 0.705 -12.024 -12.024 118 HE1 PHE 15 2HE PHE 15 2.357 -10.800 -10.800 119 HE2 PHE 15 1HE PHE 15 -0.454 -12.833 -12.833 120 HZ PHE 15 HZ PHE 15 0.364 -12.222 -12.222 121 H GLN 16 H GLN 16 2.291 -8.027 -8.027 122 HA GLN 16 HA GLN 16 3.761 -7.996 -7.996 123 1HB GLN 16 2HB GLN 16 1.042 -6.811 -6.811 124 2HB GLN 16 1HB GLN 16 1.569 -7.341 -7.341 125 1HG GLN 16 2HG GLN 16 1.826 -9.616 -9.616 126 2HG GLN 16 1HG GLN 16 0.253 -8.885 -8.885 127 1HE2 GLN 16 2HE2 GLN 16 1.250 -10.806 -10.806 128 2HE2 GLN 16 1HE2 GLN 16 2.467 -10.465 -10.465 129 H CYS 17 H CYS 17 2.874 -6.015 -6.015 130 HA CYS 17 HA CYS 17 3.349 -3.374 -3.374 131 1HB CYS 17 2HB CYS 17 2.380 -4.073 -4.073 132 2HB CYS 17 1HB CYS 17 4.065 -4.017 -4.017 133 H LYS 18 H LYS 18 5.269 -5.964 -5.964 134 HA LYS 18 HA LYS 18 7.774 -4.395 -4.395 135 1HB LYS 18 2HB LYS 18 7.617 -5.800 -5.800 136 2HB LYS 18 1HB LYS 18 7.310 -7.225 -7.225 137 1HG LYS 18 2HG LYS 18 9.536 -7.140 -7.140 138 2HG LYS 18 1HG LYS 18 9.893 -5.605 -5.605 139 1HD LYS 18 2HD LYS 18 9.275 -8.134 -8.134 140 2HD LYS 18 1HD LYS 18 10.897 -7.793 -7.793 141 1HE LYS 18 2HE LYS 18 9.190 -5.957 -5.957 142 2HE LYS 18 1HE LYS 18 10.476 -6.996 -6.996 143 1HZ LYS 18 2HZ LYS 18 11.536 -5.487 -5.487 144 2HZ LYS 18 1HZ LYS 18 10.699 -4.408 -4.408 145 3HZ LYS 18 3HZ LYS 18 11.931 -5.384 -5.384 146 H HIS 19 H HIS 19 6.296 -7.511 -7.511 147 HA HIS 19 HA HIS 19 8.190 -7.442 -7.442 148 1HB HIS 19 2HB HIS 19 6.522 -9.735 -9.735 149 2HB HIS 19 1HB HIS 19 7.664 -9.867 -9.867 150 HD1 HIS 19 1HD HIS 19 10.180 -9.422 -9.422 151 HD2 HIS 19 2HD HIS 19 7.627 -9.709 -9.709 152 HE1 HIS 19 1HE HIS 19 11.528 -9.745 -9.745 153 H SER 20 H SER 20 5.658 -5.839 -5.839 154 HA SER 20 HA SER 20 4.777 -6.670 -6.670 155 1HB SER 20 2HB SER 20 2.783 -6.215 -6.215 156 2HB SER 20 1HB SER 20 2.423 -6.679 -6.679 157 HG SER 20 HG SER 20 4.204 -8.414 -8.414 158 H MET 21 H MET 21 6.104 -4.549 -4.549 159 HA MET 21 HA MET 21 4.934 -2.095 -2.095 160 1HB MET 21 2HB MET 21 6.712 -2.675 -2.675 161 2HB MET 21 1HB MET 21 6.126 -1.061 -1.061 162 1HG MET 21 2HG MET 21 7.130 -1.766 -1.766 163 2HG MET 21 1HG MET 21 8.170 -2.674 -2.674 164 1HE MET 21 3HE MET 21 6.349 0.648 0.648 165 2HE MET 21 2HE MET 21 7.306 0.875 0.875 166 3HE MET 21 1HE MET 21 7.607 1.850 1.850 167 1HN DNP 22 HN DAP 22 3.912 -4.200 -4.200 168 HA DNP 22 HA DAP 22 2.535 -2.195 -2.195 169 1HB DNP 22 1HB DAP 22 1.053 -4.001 -4.001 170 2HB DNP 22 2HB DAP 22 1.597 -5.065 -5.065 171 1HG DNP 22 1HG DAP 22 2.758 -4.720 -4.720 172 2HG DNP 22 2HG DAP 22 3.353 -5.661 -5.661 173 3HG DNP 22 3HG DAP 22 3.861 -4.047 -4.047 174 H TYR 23 H TYR 23 1.821 -3.314 -3.314 175 HA TYR 23 HA TYR 23 -0.847 -1.964 -1.964 176 1HB TYR 23 2HB TYR 23 -0.046 -3.541 -3.541 177 2HB TYR 23 1HB TYR 23 -1.632 -3.129 -3.129 178 HD1 TYR 23 2HD TYR 23 -2.405 -4.215 -4.215 179 HD2 TYR 23 1HD TYR 23 0.686 -5.759 -5.759 180 HE1 TYR 23 2HE TYR 23 -2.722 -6.434 -6.434 181 HE2 TYR 23 1HE TYR 23 0.383 -7.967 -7.967 182 HH TYR 23 HH TYR 23 -0.490 -8.892 -8.892 183 H ARG 24 H ARG 24 1.707 -2.237 -2.237 184 HA ARG 24 HA ARG 24 1.401 -0.050 -0.050 185 1HB ARG 24 2HB ARG 24 2.837 -1.839 -1.839 186 2HB ARG 24 1HB ARG 24 3.887 -1.319 -1.319 187 1HG ARG 24 2HG ARG 24 4.473 0.577 0.577 188 2HG ARG 24 1HG ARG 24 3.055 0.681 0.681 189 1HD ARG 24 2HD ARG 24 4.242 -0.160 -0.160 190 2HD ARG 24 1HD ARG 24 4.315 -1.641 -1.641 191 HE ARG 24 HE ARG 24 6.467 -0.832 -0.832 192 1HH1 ARG 24 1HH2 ARG 24 6.397 1.914 1.914 193 2HH1 ARG 24 2HH2 ARG 24 7.253 2.119 2.119 194 1HH2 ARG 24 2HH1 ARG 24 6.901 -1.459 -1.459 195 2HH2 ARG 24 1HH1 ARG 24 7.614 -0.084 -0.084 196 H LEU 25 H LEU 25 2.816 -0.052 -0.052 197 HA LEU 25 HA LEU 25 4.200 2.402 2.402 198 1HB LEU 25 2HB LEU 25 4.362 0.703 0.703 199 2HB LEU 25 1HB LEU 25 2.803 0.941 0.941 200 HG LEU 25 HG LEU 25 3.462 3.376 3.376 201 1HD1 LEU 25 1HD1 LEU 25 5.432 3.575 3.575 202 2HD1 LEU 25 3HD1 LEU 25 6.266 2.338 2.338 203 3HD1 LEU 25 2HD1 LEU 25 5.857 3.879 3.879 204 1HD2 LEU 25 1HD2 LEU 25 5.018 1.111 1.111 205 2HD2 LEU 25 3HD2 LEU 25 3.358 1.569 1.569 206 3HD2 LEU 25 2HD2 LEU 25 4.670 2.673 2.673 207 H SER 26 H SER 26 1.158 1.873 1.873 208 HA SER 26 HA SER 26 0.387 4.638 4.638 209 1HB SER 26 2HB SER 26 1.309 4.728 4.728 210 2HB SER 26 1HB SER 26 -0.002 3.646 3.646 211 HG SER 26 HG SER 26 -1.316 5.272 5.272 212 H PHE 27 H PHE 27 -0.370 1.450 1.450 213 HA PHE 27 HA PHE 27 -3.308 2.073 2.073 214 1HB PHE 27 2HB PHE 27 -2.219 -0.629 -0.629 215 2HB PHE 27 1HB PHE 27 -3.809 -0.171 -0.171 216 HD1 PHE 27 2HD PHE 27 -1.638 1.531 1.531 217 HD2 PHE 27 1HD PHE 27 -3.164 -2.335 -2.335 218 HE1 PHE 27 2HE PHE 27 -1.166 0.769 0.769 219 HE2 PHE 27 1HE PHE 27 -2.688 -3.089 -3.089 220 HZ PHE 27 HZ PHE 27 -1.683 -1.537 -1.537 221 H CYS 28 H CYS 28 -1.009 1.013 1.013 222 HA CYS 28 HA CYS 28 -3.138 1.488 1.488 223 1HB CYS 28 2HB CYS 28 -0.656 0.177 0.177 224 2HB CYS 28 1HB CYS 28 -2.339 -0.278 -0.278 225 H ARG 29 H ARG 29 -1.986 3.590 3.590 226 HA ARG 29 HA ARG 29 0.270 4.868 4.868 227 1HB ARG 29 2HB ARG 29 -2.602 5.620 5.620 228 2HB ARG 29 1HB ARG 29 -1.506 6.890 6.890 229 1HG ARG 29 2HG ARG 29 -0.171 6.575 6.575 230 2HG ARG 29 1HG ARG 29 -0.838 4.982 4.982 231 1HD ARG 29 2HD ARG 29 -2.857 5.728 5.728 232 2HD ARG 29 1HD ARG 29 -2.735 7.327 7.327 233 HE ARG 29 HE ARG 29 -0.988 6.326 6.326 234 1HH1 ARG 29 1HH2 ARG 29 -0.098 8.899 8.899 235 2HH1 ARG 29 2HH2 ARG 29 -1.049 9.980 9.980 236 1HH2 ARG 29 2HH1 ARG 29 -3.499 7.449 7.449 237 2HH2 ARG 29 1HH1 ARG 29 -3.173 9.099 9.099 238 H LYS 30 H LYS 30 -2.574 5.181 5.181 239 HA LYS 30 HA LYS 30 -0.814 6.117 6.117 240 1HB LYS 30 2HB LYS 30 -3.849 5.751 5.751 241 2HB LYS 30 1HB LYS 30 -2.877 6.743 6.743 242 1HG LYS 30 2HG LYS 30 -3.213 7.181 7.181 243 2HG LYS 30 1HG LYS 30 -3.996 8.115 8.115 244 1HD LYS 30 2HD LYS 30 -1.588 8.737 8.737 245 2HD LYS 30 1HD LYS 30 -0.968 7.898 7.898 246 1HE LYS 30 2HE LYS 30 -1.089 10.303 10.303 247 2HE LYS 30 1HE LYS 30 -2.168 9.322 9.322 248 1HZ LYS 30 2HZ LYS 30 -3.615 10.014 10.014 249 2HZ LYS 30 1HZ LYS 30 -2.863 11.431 11.431 250 3HZ LYS 30 3HZ LYS 30 -3.804 10.486 10.486 251 H THR 31 H THR 31 -3.047 3.683 3.683 252 HA THR 31 HA THR 31 -3.226 2.090 2.090 253 HB THR 31 HB THR 31 -3.194 1.494 1.494 254 HG1 THR 31 1HG THR 31 -4.990 2.419 2.419 255 1HG2 THR 31 2HG2 THR 31 -3.827 -0.449 -0.449 256 2HG2 THR 31 1HG2 THR 31 -3.983 -0.707 -0.707 257 3HG2 THR 31 3HG2 THR 31 -2.385 -0.637 -0.637 258 H CYS 32 H CYS 32 -0.381 2.449 2.449 259 HA CYS 32 HA CYS 32 0.990 0.400 0.400 260 1HB CYS 32 2HB CYS 32 1.163 1.068 1.068 261 2HB CYS 32 1HB CYS 32 2.693 0.959 0.959 262 H GLY 33 H GLY 33 1.267 3.515 3.515 263 1HA GLY 33 2HA GLY 33 2.032 5.429 5.429 264 2HA GLY 33 1HA GLY 33 3.182 4.330 4.330 265 H THR 34 H THR 34 2.264 5.146 5.146 266 HA THR 34 HA THR 34 5.142 5.421 5.421 267 HB THR 34 HB THR 34 3.774 5.395 5.395 268 HG1 THR 34 1HG THR 34 2.282 3.528 3.528 269 1HG2 THR 34 3HG2 THR 34 5.624 3.783 3.783 270 2HG2 THR 34 2HG2 THR 34 4.370 2.919 2.919 271 3HG2 THR 34 1HG2 THR 34 4.364 2.959 2.959 272 H CYS 35 HN CYS 35 2.043 7.294 7.294 273 HA CYS 35 HA CYS 35 3.769 9.616 9.616 274 1HB CYS 35 2HB CYS 35 1.852 10.297 10.297 275 2HB CYS 35 1HB CYS 35 2.750 8.970 8.970 Start of MODEL 9 1 1H ARG 1 1H ARG 1 1.016 15.420 15.420 2 2H ARG 1 3H ARG 1 2.223 15.483 15.483 3 3H ARG 1 2H ARG 1 1.598 16.925 16.925 4 HA ARG 1 HA ARG 1 -0.023 16.984 16.984 5 1HB ARG 1 2HB ARG 1 1.825 15.667 15.667 6 2HB ARG 1 1HB ARG 1 0.954 14.222 14.222 7 1HG ARG 1 2HG ARG 1 0.420 14.819 14.819 8 2HG ARG 1 1HG ARG 1 -1.039 15.032 15.032 9 1HD ARG 1 2HD ARG 1 0.816 17.434 17.434 10 2HD ARG 1 1HD ARG 1 -0.155 16.842 16.842 11 HE ARG 1 HE ARG 1 -1.453 17.759 17.759 12 1HH1 ARG 1 1HH1 ARG 1 -3.497 16.833 16.833 13 2HH1 ARG 1 2HH1 ARG 1 -3.920 18.065 18.065 14 1HH2 ARG 1 1HH2 ARG 1 -0.802 19.676 19.676 15 2HH2 ARG 1 2HH2 ARG 1 -2.290 19.785 19.785 16 H SER 2 H SER 2 -2.006 15.253 15.253 17 HA SER 2 HA SER 2 -2.863 13.961 13.961 18 1HB SER 2 2HB SER 2 -4.739 14.849 14.849 19 2HB SER 2 1HB SER 2 -5.088 14.645 14.645 20 HG SER 2 HG SER 2 -4.490 16.669 16.669 21 H CYS 3 H CYS 3 -2.767 11.739 11.739 22 HA CYS 3 HA CYS 3 -3.456 10.456 10.456 23 1HB CYS 3 2HB CYS 3 -1.610 8.932 8.932 24 2HB CYS 3 1HB CYS 3 -0.988 10.554 10.554 25 H ILE 4 H ILE 4 -4.840 8.842 8.842 26 HA ILE 4 HA ILE 4 -5.529 8.027 8.027 27 HB ILE 4 HB ILE 4 -7.905 7.876 7.876 28 1HG1 ILE 4 2HG1 ILE 4 -8.377 9.244 9.244 29 2HG1 ILE 4 1HG1 ILE 4 -6.738 8.839 8.839 30 1HG2 ILE 4 1HG2 ILE 4 -7.126 9.944 9.944 31 2HG2 ILE 4 3HG2 ILE 4 -6.605 10.588 10.588 32 3HG2 ILE 4 2HG2 ILE 4 -8.314 10.327 10.327 33 1HD1 ILE 4 1HD1 ILE 4 -8.974 6.862 6.862 34 2HD1 ILE 4 3HD1 ILE 4 -8.379 7.203 7.203 35 3HD1 ILE 4 2HD1 ILE 4 -7.374 6.352 6.352 36 H ASP 5 H ASP 5 -6.122 5.954 5.954 37 HA ASP 5 HA ASP 5 -4.882 3.978 3.978 38 1HB ASP 5 2HB ASP 5 -6.848 3.287 3.287 39 2HB ASP 5 1HB ASP 5 -5.535 2.336 2.336 40 H THR 6 H THR 6 -5.948 2.366 2.366 41 HA THR 6 HA THR 6 -8.903 2.429 2.429 42 HB THR 6 HB THR 6 -8.060 4.037 4.037 43 HG1 THR 6 1HG THR 6 -8.798 1.482 1.482 44 1HG2 THR 6 1HG2 THR 6 -6.338 1.744 1.744 45 2HG2 THR 6 3HG2 THR 6 -6.499 3.345 3.345 46 3HG2 THR 6 2HG2 THR 6 -5.687 3.147 3.147 47 H ILE 7 H ILE 7 -6.995 0.831 0.831 48 HA ILE 7 HA ILE 7 -7.430 -1.765 -1.765 49 HB ILE 7 HB ILE 7 -5.073 -0.736 -0.736 50 1HG1 ILE 7 2HG1 ILE 7 -3.748 -2.717 -2.717 51 2HG1 ILE 7 1HG1 ILE 7 -5.232 -3.375 -3.375 52 1HG2 ILE 7 2HG2 ILE 7 -5.028 0.312 0.312 53 2HG2 ILE 7 1HG2 ILE 7 -4.974 -1.276 -1.276 54 3HG2 ILE 7 3HG2 ILE 7 -3.674 -0.735 -0.735 55 1HD1 ILE 7 1HD1 ILE 7 -6.180 -3.344 -3.344 56 2HD1 ILE 7 3HD1 ILE 7 -4.640 -2.723 -2.723 57 3HD1 ILE 7 2HD1 ILE 7 -4.734 -4.333 -4.333 58 HA PRO 8 HA PRO 8 -8.317 -2.864 -2.864 59 1HB PRO 8 2HB PRO 8 -8.252 -5.542 -5.542 60 2HB PRO 8 1HB PRO 8 -9.573 -4.699 -4.699 61 1HG PRO 8 2HG PRO 8 -6.904 -5.610 -5.610 62 2HG PRO 8 1HG PRO 8 -8.521 -6.078 -6.078 63 1HD PRO 8 2HD PRO 8 -7.329 -3.985 -3.985 64 2HD PRO 8 1HD PRO 8 -9.047 -3.859 -3.859 65 H LYS 9 H LYS 9 -6.924 -2.704 -2.704 66 HA LYS 9 HA LYS 9 -4.124 -2.676 -2.676 67 1HB LYS 9 2HB LYS 9 -5.443 -1.694 -1.694 68 2HB LYS 9 1HB LYS 9 -5.706 -3.323 -3.323 69 1HG LYS 9 2HG LYS 9 -2.868 -2.581 -2.581 70 2HG LYS 9 1HG LYS 9 -3.605 -1.828 -1.828 71 1HD LYS 9 2HD LYS 9 -3.964 -4.061 -4.061 72 2HD LYS 9 1HD LYS 9 -3.430 -4.845 -4.845 73 1HE LYS 9 2HE LYS 9 -1.526 -4.764 -4.764 74 2HE LYS 9 1HE LYS 9 -1.189 -3.766 -3.766 75 1HZ LYS 9 1HZ LYS 9 -2.522 -2.157 -2.157 76 2HZ LYS 9 3HZ LYS 9 -1.262 -2.953 -2.953 77 3HZ LYS 9 2HZ LYS 9 -0.937 -2.026 -2.026 78 H SER 10 H SER 10 -6.409 -5.011 -5.011 79 HA SER 10 HA SER 10 -5.134 -7.156 -7.156 80 1HB SER 10 2HB SER 10 -7.048 -7.622 -7.622 81 2HB SER 10 1HB SER 10 -7.178 -8.283 -8.283 82 HG SER 10 HG SER 10 -8.629 -6.668 -6.668 83 H ARG 11 H ARG 11 -5.104 -5.938 -5.938 84 HA ARG 11 HA ARG 11 -3.377 -8.054 -8.054 85 1HB ARG 11 2HB ARG 11 -5.109 -6.288 -6.288 86 2HB ARG 11 1HB ARG 11 -3.609 -5.395 -5.395 87 1HG ARG 11 2HG ARG 11 -3.857 -6.708 -6.708 88 2HG ARG 11 1HG ARG 11 -2.542 -7.363 -7.363 89 1HD ARG 11 2HD ARG 11 -4.203 -9.110 -9.110 90 2HD ARG 11 1HD ARG 11 -5.374 -8.517 -8.517 91 HE ARG 11 HE ARG 11 -2.665 -9.489 -9.489 92 1HH1 ARG 11 2HH1 ARG 11 -4.825 -8.458 -8.458 93 2HH1 ARG 11 1HH1 ARG 11 -5.440 -9.896 -9.896 94 1HH2 ARG 11 1HH2 ARG 11 -3.905 -11.840 -11.840 95 2HH2 ARG 11 2HH2 ARG 11 -4.857 -12.008 -12.008 96 H CYS 12 H CYS 12 -3.079 -4.815 -4.815 97 HA CYS 12 HA CYS 12 -0.125 -4.883 -4.883 98 1HB CYS 12 2HB CYS 12 -2.076 -2.722 -2.722 99 2HB CYS 12 1HB CYS 12 -0.749 -2.549 -2.549 100 H THR 13 H THR 13 -0.925 -6.847 -6.847 101 HA THR 13 HA THR 13 -0.921 -6.397 -6.397 102 HB THR 13 HB THR 13 -1.968 -8.469 -8.469 103 HG1 THR 13 1HG THR 13 -0.118 -9.952 -9.952 104 1HG2 THR 13 2HG2 THR 13 0.693 -9.200 -9.200 105 2HG2 THR 13 1HG2 THR 13 -0.748 -10.213 -10.213 106 3HG2 THR 13 3HG2 THR 13 -0.801 -8.734 -8.734 107 H ALA 14 H ALA 14 0.933 -7.641 -7.641 108 HA ALA 14 HA ALA 14 3.289 -6.082 -6.082 109 1HB ALA 14 3HB ALA 14 2.808 -6.815 -6.815 110 2HB ALA 14 2HB ALA 14 3.057 -8.493 -8.493 111 3HB ALA 14 1HB ALA 14 4.393 -7.359 -7.359 112 H PHE 15 H PHE 15 2.058 -8.973 -8.973 113 HA PHE 15 HA PHE 15 4.634 -10.125 -10.125 114 1HB PHE 15 2HB PHE 15 2.142 -11.234 -11.234 115 2HB PHE 15 1HB PHE 15 3.464 -12.052 -12.052 116 HD1 PHE 15 1HD PHE 15 3.388 -10.744 -10.744 117 HD2 PHE 15 2HD PHE 15 0.244 -12.172 -12.172 118 HE1 PHE 15 1HE PHE 15 1.972 -11.099 -11.099 119 HE2 PHE 15 2HE PHE 15 -1.165 -12.523 -12.523 120 HZ PHE 15 HZ PHE 15 -0.306 -11.980 -11.980 121 H GLN 16 H GLN 16 2.449 -7.856 -7.856 122 HA GLN 16 HA GLN 16 3.698 -8.124 -8.124 123 1HB GLN 16 2HB GLN 16 1.015 -6.814 -6.814 124 2HB GLN 16 1HB GLN 16 1.669 -7.423 -7.423 125 1HG GLN 16 2HG GLN 16 1.501 -9.617 -9.617 126 2HG GLN 16 1HG GLN 16 0.004 -8.818 -8.818 127 1HE2 GLN 16 2HE2 GLN 16 1.781 -10.874 -10.874 128 2HE2 GLN 16 1HE2 GLN 16 2.742 -10.290 -10.290 129 H CYS 17 H CYS 17 2.396 -5.863 -5.863 130 HA CYS 17 HA CYS 17 3.084 -3.416 -3.416 131 1HB CYS 17 2HB CYS 17 1.896 -3.798 -3.798 132 2HB CYS 17 1HB CYS 17 3.449 -4.029 -4.029 133 H LYS 18 H LYS 18 4.971 -5.773 -5.773 134 HA LYS 18 HA LYS 18 7.394 -4.105 -4.105 135 1HB LYS 18 2HB LYS 18 6.841 -5.407 -5.407 136 2HB LYS 18 1HB LYS 18 7.017 -6.890 -6.890 137 1HG LYS 18 2HG LYS 18 9.067 -6.493 -6.493 138 2HG LYS 18 1HG LYS 18 9.413 -6.328 -6.328 139 1HD LYS 18 2HD LYS 18 9.120 -3.833 -3.833 140 2HD LYS 18 1HD LYS 18 8.831 -4.035 -4.035 141 1HE LYS 18 2HE LYS 18 11.120 -4.944 -4.944 142 2HE LYS 18 1HE LYS 18 11.373 -4.814 -4.814 143 1HZ LYS 18 3HZ LYS 18 10.410 -2.339 -2.339 144 2HZ LYS 18 2HZ LYS 18 11.693 -2.823 -2.823 145 3HZ LYS 18 1HZ LYS 18 11.933 -2.689 -2.689 146 H HIS 19 H HIS 19 5.849 -6.533 -6.533 147 HA HIS 19 HA HIS 19 8.305 -7.107 -7.107 148 1HB HIS 19 2HB HIS 19 6.151 -8.972 -8.972 149 2HB HIS 19 1HB HIS 19 6.928 -9.315 -9.315 150 HD1 HIS 19 1HD HIS 19 9.513 -9.546 -9.546 151 HD2 HIS 19 2HD HIS 19 7.619 -9.579 -9.579 152 HE1 HIS 19 1HE HIS 19 11.071 -10.485 -10.485 153 H SER 20 H SER 20 4.811 -6.933 -6.933 154 HA SER 20 HA SER 20 4.911 -6.772 -6.772 155 1HB SER 20 2HB SER 20 2.386 -6.559 -6.559 156 2HB SER 20 1HB SER 20 2.688 -7.381 -7.381 157 HG SER 20 HG SER 20 3.262 -9.131 -9.131 158 H MET 21 H MET 21 5.970 -4.655 -4.655 159 HA MET 21 HA MET 21 4.743 -2.253 -2.253 160 1HB MET 21 2HB MET 21 6.443 -2.732 -2.732 161 2HB MET 21 1HB MET 21 5.826 -1.147 -1.147 162 1HG MET 21 2HG MET 21 6.930 -1.733 -1.733 163 2HG MET 21 1HG MET 21 7.914 -2.762 -2.762 164 1HE MET 21 2HE MET 21 6.192 0.560 0.560 165 2HE MET 21 1HE MET 21 7.203 0.904 0.904 166 3HE MET 21 3HE MET 21 7.459 1.743 1.743 167 1HN DNP 22 HN DAP 22 3.733 -4.416 -4.416 168 HA DNP 22 HA DAP 22 2.174 -2.652 -2.652 169 1HB DNP 22 1HB DAP 22 2.382 -5.007 -5.007 170 2HB DNP 22 2HB DAP 22 0.675 -4.710 -4.710 171 1HG DNP 22 1HG DAP 22 0.796 -6.234 -6.234 172 2HG DNP 22 2HG DAP 22 1.905 -5.265 -5.265 173 3HG DNP 22 3HG DAP 22 2.455 -6.470 -6.470 174 H TYR 23 H TYR 23 1.868 -3.064 -3.064 175 HA TYR 23 HA TYR 23 -0.859 -1.944 -1.944 176 1HB TYR 23 2HB TYR 23 0.159 -3.654 -3.654 177 2HB TYR 23 1HB TYR 23 -1.509 -3.290 -3.290 178 HD1 TYR 23 2HD TYR 23 -1.863 -4.053 -4.053 179 HD2 TYR 23 1HD TYR 23 0.446 -5.913 -5.913 180 HE1 TYR 23 2HE TYR 23 -2.050 -6.204 -6.204 181 HE2 TYR 23 1HE TYR 23 0.278 -8.039 -8.039 182 HH TYR 23 HH TYR 23 -0.526 -9.139 -9.139 183 H ARG 24 H ARG 24 1.836 -2.406 -2.406 184 HA ARG 24 HA ARG 24 1.730 -0.103 -0.103 185 1HB ARG 24 2HB ARG 24 3.074 -1.711 -1.711 186 2HB ARG 24 1HB ARG 24 3.770 -2.206 -2.206 187 1HG ARG 24 2HG ARG 24 5.570 -1.361 -1.361 188 2HG ARG 24 1HG ARG 24 4.868 0.197 0.197 189 1HD ARG 24 2HD ARG 24 4.464 0.672 0.672 190 2HD ARG 24 1HD ARG 24 4.376 -1.043 -1.043 191 HE ARG 24 HE ARG 24 6.720 -1.203 -1.203 192 1HH1 ARG 24 1HH2 ARG 24 7.348 1.566 1.566 193 2HH1 ARG 24 2HH2 ARG 24 7.969 2.312 2.312 194 1HH2 ARG 24 2HH1 ARG 24 6.547 -0.337 -0.337 195 2HH2 ARG 24 1HH1 ARG 24 7.442 1.117 1.117 196 H LEU 25 H LEU 25 2.738 -0.284 -0.284 197 HA LEU 25 HA LEU 25 4.382 2.005 2.005 198 1HB LEU 25 2HB LEU 25 4.200 0.351 0.351 199 2HB LEU 25 1HB LEU 25 2.599 0.623 0.623 200 HG LEU 25 HG LEU 25 3.330 3.019 3.019 201 1HD1 LEU 25 3HD1 LEU 25 6.141 1.901 1.901 202 2HD1 LEU 25 2HD1 LEU 25 5.746 3.421 3.421 203 3HD1 LEU 25 1HD1 LEU 25 5.413 3.205 3.205 204 1HD2 LEU 25 1HD2 LEU 25 3.126 1.123 1.123 205 2HD2 LEU 25 3HD2 LEU 25 4.439 2.193 2.193 206 3HD2 LEU 25 2HD2 LEU 25 4.786 0.665 0.665 207 H SER 26 H SER 26 1.274 1.817 1.817 208 HA SER 26 HA SER 26 0.560 4.437 4.437 209 1HB SER 26 2HB SER 26 1.535 4.438 4.438 210 2HB SER 26 1HB SER 26 -0.215 4.306 4.306 211 HG SER 26 HG SER 26 1.165 6.423 6.423 212 H PHE 27 H PHE 27 -0.287 1.508 1.508 213 HA PHE 27 HA PHE 27 -3.177 2.012 2.012 214 1HB PHE 27 2HB PHE 27 -2.036 -0.554 -0.554 215 2HB PHE 27 1HB PHE 27 -3.544 -0.303 -0.303 216 HD1 PHE 27 2HD PHE 27 0.147 0.143 0.143 217 HD2 PHE 27 1HD PHE 27 -3.684 -0.542 -0.542 218 HE1 PHE 27 2HE PHE 27 1.207 -0.185 -0.185 219 HE2 PHE 27 1HE PHE 27 -2.594 -0.876 -0.876 220 HZ PHE 27 HZ PHE 27 -0.143 -0.711 -0.711 221 H CYS 28 H CYS 28 -1.117 1.174 1.174 222 HA CYS 28 HA CYS 28 -3.343 1.703 1.703 223 1HB CYS 28 2HB CYS 28 -0.912 0.387 0.387 224 2HB CYS 28 1HB CYS 28 -2.587 -0.086 -0.086 225 H ARG 29 H ARG 29 -2.041 3.732 3.732 226 HA ARG 29 HA ARG 29 0.221 4.965 4.965 227 1HB ARG 29 2HB ARG 29 -2.601 5.830 5.830 228 2HB ARG 29 1HB ARG 29 -1.533 7.063 7.063 229 1HG ARG 29 2HG ARG 29 -0.666 7.288 7.288 230 2HG ARG 29 1HG ARG 29 -0.117 5.668 5.668 231 1HD ARG 29 2HD ARG 29 -1.478 5.816 5.816 232 2HD ARG 29 1HD ARG 29 -2.460 4.936 4.936 233 HE ARG 29 HE ARG 29 -3.521 7.205 7.205 234 1HH1 ARG 29 2HH1 ARG 29 -1.590 8.203 8.203 235 2HH1 ARG 29 1HH1 ARG 29 -2.640 8.466 8.466 236 1HH2 ARG 29 1HH2 ARG 29 -5.164 6.587 6.587 237 2HH2 ARG 29 2HH2 ARG 29 -4.946 7.384 7.384 238 H LYS 30 H LYS 30 -2.591 5.371 5.371 239 HA LYS 30 HA LYS 30 -0.885 6.289 6.289 240 1HB LYS 30 2HB LYS 30 -3.905 5.831 5.831 241 2HB LYS 30 1HB LYS 30 -3.021 6.777 6.777 242 1HG LYS 30 2HG LYS 30 -3.110 7.395 7.395 243 2HG LYS 30 1HG LYS 30 -4.152 8.176 8.176 244 1HD LYS 30 2HD LYS 30 -1.524 8.529 8.529 245 2HD LYS 30 1HD LYS 30 -1.224 8.523 8.523 246 1HE LYS 30 2HE LYS 30 -1.664 10.801 10.801 247 2HE LYS 30 1HE LYS 30 -2.826 10.307 10.307 248 1HZ LYS 30 2HZ LYS 30 -3.688 9.391 9.391 249 2HZ LYS 30 1HZ LYS 30 -3.382 11.044 11.044 250 3HZ LYS 30 3HZ LYS 30 -4.473 10.497 10.497 251 H THR 31 H THR 31 -3.038 3.787 3.787 252 HA THR 31 HA THR 31 -3.245 2.177 2.177 253 HB THR 31 HB THR 31 -2.948 1.492 1.492 254 HG1 THR 31 1HG THR 31 -4.825 2.584 2.584 255 1HG2 THR 31 2HG2 THR 31 -3.876 -0.333 -0.333 256 2HG2 THR 31 1HG2 THR 31 -3.937 -0.691 -0.691 257 3HG2 THR 31 3HG2 THR 31 -2.385 -0.601 -0.601 258 H CYS 32 H CYS 32 -0.378 2.619 2.619 259 HA CYS 32 HA CYS 32 1.060 0.666 0.666 260 1HB CYS 32 2HB CYS 32 1.360 1.483 1.483 261 2HB CYS 32 1HB CYS 32 2.824 1.144 1.144 262 H GLY 33 H GLY 33 1.259 3.648 3.648 263 1HA GLY 33 2HA GLY 33 1.732 5.766 5.766 264 2HA GLY 33 1HA GLY 33 2.778 4.867 4.867 265 H THR 34 H THR 34 2.362 5.122 5.122 266 HA THR 34 HA THR 34 5.327 5.334 5.334 267 HB THR 34 HB THR 34 4.443 4.941 4.941 268 HG1 THR 34 1HG THR 34 2.726 3.386 3.386 269 1HG2 THR 34 2HG2 THR 34 5.977 3.409 3.409 270 2HG2 THR 34 1HG2 THR 34 4.540 2.766 2.766 271 3HG2 THR 34 3HG2 THR 34 4.849 2.463 2.463 272 H CYS 35 HN CYS 35 2.362 7.182 7.182 273 HA CYS 35 HA CYS 35 4.077 9.423 9.423 274 1HB CYS 35 2HB CYS 35 2.101 10.003 10.003 275 2HB CYS 35 1HB CYS 35 2.869 8.554 8.554 Start of MODEL 10 1 1H ARG 1 1H ARG 1 -1.379 17.058 17.058 2 2H ARG 1 3H ARG 1 -0.234 18.308 18.308 3 3H ARG 1 2H ARG 1 0.054 16.936 16.936 4 HA ARG 1 HA ARG 1 1.071 15.944 15.944 5 1HB ARG 1 2HB ARG 1 1.332 17.227 17.227 6 2HB ARG 1 1HB ARG 1 1.767 18.206 18.206 7 1HG ARG 1 2HG ARG 1 -0.565 19.299 19.299 8 2HG ARG 1 1HG ARG 1 -0.901 18.321 18.321 9 1HD ARG 1 2HD ARG 1 1.098 19.375 19.375 10 2HD ARG 1 1HD ARG 1 1.290 20.434 20.434 11 HE ARG 1 HE ARG 1 -1.161 20.384 20.384 12 1HH1 ARG 1 1HH1 ARG 1 -1.907 21.619 21.619 13 2HH1 ARG 1 2HH1 ARG 1 -1.452 23.277 23.277 14 1HH2 ARG 1 1HH2 ARG 1 0.832 22.489 22.489 15 2HH2 ARG 1 2HH2 ARG 1 0.246 23.809 23.809 16 H SER 2 H SER 2 -1.262 14.742 14.742 17 HA SER 2 HA SER 2 -2.234 13.943 13.943 18 1HB SER 2 2HB SER 2 -4.166 14.838 14.838 19 2HB SER 2 1HB SER 2 -4.588 14.413 14.413 20 HG SER 2 HG SER 2 -2.865 16.140 16.140 21 H CYS 3 H CYS 3 -3.134 11.753 11.753 22 HA CYS 3 HA CYS 3 -3.347 10.446 10.446 23 1HB CYS 3 2HB CYS 3 -1.515 8.876 8.876 24 2HB CYS 3 1HB CYS 3 -0.867 10.487 10.487 25 H ILE 4 H ILE 4 -4.514 8.506 8.506 26 HA ILE 4 HA ILE 4 -5.316 7.874 7.874 27 HB ILE 4 HB ILE 4 -7.716 7.727 7.727 28 1HG1 ILE 4 2HG1 ILE 4 -8.048 9.294 9.294 29 2HG1 ILE 4 1HG1 ILE 4 -6.432 8.790 8.790 30 1HG2 ILE 4 3HG2 ILE 4 -6.965 9.726 9.726 31 2HG2 ILE 4 2HG2 ILE 4 -6.444 10.479 10.479 32 3HG2 ILE 4 1HG2 ILE 4 -8.146 10.165 10.165 33 1HD1 ILE 4 3HD1 ILE 4 -8.760 6.887 6.887 34 2HD1 ILE 4 2HD1 ILE 4 -8.098 7.313 7.313 35 3HD1 ILE 4 1HD1 ILE 4 -7.144 6.381 6.381 36 H ASP 5 H ASP 5 -6.039 5.739 5.739 37 HA ASP 5 HA ASP 5 -4.754 3.866 3.866 38 1HB ASP 5 2HB ASP 5 -6.719 3.218 3.218 39 2HB ASP 5 1HB ASP 5 -5.439 2.202 2.202 40 H THR 6 H THR 6 -5.997 2.134 2.134 41 HA THR 6 HA THR 6 -8.885 2.425 2.425 42 HB THR 6 HB THR 6 -7.985 4.050 4.050 43 HG1 THR 6 1HG THR 6 -8.805 1.537 1.537 44 1HG2 THR 6 1HG2 THR 6 -6.289 1.747 1.747 45 2HG2 THR 6 3HG2 THR 6 -6.388 3.371 3.371 46 3HG2 THR 6 2HG2 THR 6 -5.628 3.109 3.109 47 H ILE 7 H ILE 7 -7.014 0.771 0.771 48 HA ILE 7 HA ILE 7 -7.382 -1.772 -1.772 49 HB ILE 7 HB ILE 7 -5.023 -0.667 -0.667 50 1HG1 ILE 7 2HG1 ILE 7 -3.753 -2.723 -2.723 51 2HG1 ILE 7 1HG1 ILE 7 -5.249 -3.479 -3.479 52 1HG2 ILE 7 3HG2 ILE 7 -5.220 0.029 0.029 53 2HG2 ILE 7 2HG2 ILE 7 -5.164 -1.664 -1.664 54 3HG2 ILE 7 1HG2 ILE 7 -3.803 -0.924 -0.924 55 1HD1 ILE 7 1HD1 ILE 7 -6.064 -3.198 -3.198 56 2HD1 ILE 7 3HD1 ILE 7 -4.504 -2.498 -2.498 57 3HD1 ILE 7 2HD1 ILE 7 -4.608 -4.172 -4.172 58 HA PRO 8 HA PRO 8 -8.618 -3.254 -3.254 59 1HB PRO 8 2HB PRO 8 -8.329 -5.907 -5.907 60 2HB PRO 8 1HB PRO 8 -9.659 -5.103 -5.103 61 1HG PRO 8 2HG PRO 8 -6.842 -5.658 -5.658 62 2HG PRO 8 1HG PRO 8 -8.375 -6.217 -6.217 63 1HD PRO 8 2HD PRO 8 -7.319 -3.956 -3.956 64 2HD PRO 8 1HD PRO 8 -9.068 -3.984 -3.984 65 H LYS 9 H LYS 9 -7.230 -2.761 -2.761 66 HA LYS 9 HA LYS 9 -4.459 -2.659 -2.659 67 1HB LYS 9 2HB LYS 9 -5.970 -1.687 -1.687 68 2HB LYS 9 1HB LYS 9 -6.101 -3.287 -3.287 69 1HG LYS 9 2HG LYS 9 -3.363 -2.256 -2.256 70 2HG LYS 9 1HG LYS 9 -4.241 -1.556 -1.556 71 1HD LYS 9 2HD LYS 9 -4.180 -3.622 -3.622 72 2HD LYS 9 1HD LYS 9 -3.813 -4.523 -4.523 73 1HE LYS 9 2HE LYS 9 -1.684 -4.101 -4.101 74 2HE LYS 9 1HE LYS 9 -1.581 -3.449 -3.449 75 1HZ LYS 9 3HZ LYS 9 -2.740 -1.491 -1.491 76 2HZ LYS 9 2HZ LYS 9 -1.262 -2.032 -2.032 77 3HZ LYS 9 1HZ LYS 9 -1.363 -1.341 -1.341 78 H SER 10 H SER 10 -6.614 -5.158 -5.158 79 HA SER 10 HA SER 10 -4.982 -7.081 -7.081 80 1HB SER 10 2HB SER 10 -7.597 -7.184 -7.184 81 2HB SER 10 1HB SER 10 -6.884 -8.136 -8.136 82 HG SER 10 HG SER 10 -6.193 -9.599 -9.599 83 H ARG 11 H ARG 11 -5.150 -6.097 -6.097 84 HA ARG 11 HA ARG 11 -3.331 -8.193 -8.193 85 1HB ARG 11 2HB ARG 11 -5.138 -6.653 -6.653 86 2HB ARG 11 1HB ARG 11 -3.761 -5.585 -5.585 87 1HG ARG 11 2HG ARG 11 -3.709 -7.083 -7.083 88 2HG ARG 11 1HG ARG 11 -2.370 -7.473 -7.473 89 1HD ARG 11 2HD ARG 11 -4.161 -9.223 -9.223 90 2HD ARG 11 1HD ARG 11 -4.969 -8.917 -8.917 91 HE ARG 11 HE ARG 11 -2.073 -9.802 -9.802 92 1HH1 ARG 11 2HH1 ARG 11 -2.272 -9.641 -9.641 93 2HH1 ARG 11 1HH1 ARG 11 -3.130 -11.001 -11.001 94 1HH2 ARG 11 1HH2 ARG 11 -4.470 -11.616 -11.616 95 2HH2 ARG 11 2HH2 ARG 11 -4.526 -12.250 -12.250 96 H CYS 12 H CYS 12 -3.273 -5.011 -5.011 97 HA CYS 12 HA CYS 12 -0.401 -4.641 -4.641 98 1HB CYS 12 2HB CYS 12 -2.308 -2.977 -2.977 99 2HB CYS 12 1HB CYS 12 -0.914 -2.425 -2.425 100 H THR 13 H THR 13 -1.160 -6.934 -6.934 101 HA THR 13 HA THR 13 -0.975 -6.373 -6.373 102 HB THR 13 HB THR 13 -1.773 -8.650 -8.650 103 HG1 THR 13 1HG THR 13 -0.093 -9.705 -9.705 104 1HG2 THR 13 2HG2 THR 13 0.532 -9.015 -9.015 105 2HG2 THR 13 1HG2 THR 13 -0.679 -10.225 -10.225 106 3HG2 THR 13 3HG2 THR 13 -1.148 -8.801 -8.801 107 H ALA 14 H ALA 14 0.882 -6.482 -6.482 108 HA ALA 14 HA ALA 14 3.079 -5.015 -5.015 109 1HB ALA 14 2HB ALA 14 3.120 -7.502 -7.502 110 2HB ALA 14 1HB ALA 14 4.326 -6.227 -6.227 111 3HB ALA 14 3HB ALA 14 2.680 -5.888 -5.888 112 H PHE 15 H PHE 15 2.514 -8.295 -8.295 113 HA PHE 15 HA PHE 15 4.886 -9.414 -9.414 114 1HB PHE 15 2HB PHE 15 2.227 -10.167 -10.167 115 2HB PHE 15 1HB PHE 15 3.575 -11.190 -11.190 116 HD1 PHE 15 2HD PHE 15 3.564 -9.731 -9.731 117 HD2 PHE 15 1HD PHE 15 0.823 -11.915 -11.915 118 HE1 PHE 15 2HE PHE 15 2.371 -10.480 -10.480 119 HE2 PHE 15 1HE PHE 15 -0.359 -12.669 -12.669 120 HZ PHE 15 HZ PHE 15 0.405 -11.952 -11.952 121 H GLN 16 H GLN 16 2.252 -7.974 -7.974 122 HA GLN 16 HA GLN 16 3.811 -7.917 -7.917 123 1HB GLN 16 2HB GLN 16 1.068 -6.702 -6.702 124 2HB GLN 16 1HB GLN 16 1.636 -7.342 -7.342 125 1HG GLN 16 2HG GLN 16 1.800 -9.535 -9.535 126 2HG GLN 16 1HG GLN 16 0.266 -8.729 -8.729 127 1HE2 GLN 16 2HE2 GLN 16 1.174 -10.839 -10.839 128 2HE2 GLN 16 1HE2 GLN 16 2.398 -10.486 -10.486 129 H CYS 17 H CYS 17 2.991 -5.997 -5.997 130 HA CYS 17 HA CYS 17 3.440 -3.350 -3.350 131 1HB CYS 17 2HB CYS 17 2.317 -4.052 -4.052 132 2HB CYS 17 1HB CYS 17 3.959 -3.950 -3.950 133 H LYS 18 H LYS 18 5.260 -5.901 -5.901 134 HA LYS 18 HA LYS 18 7.795 -4.376 -4.376 135 1HB LYS 18 2HB LYS 18 7.058 -6.139 -6.139 136 2HB LYS 18 1HB LYS 18 7.449 -7.352 -7.352 137 1HG LYS 18 2HG LYS 18 9.429 -7.158 -7.158 138 2HG LYS 18 1HG LYS 18 9.789 -6.255 -6.255 139 1HD LYS 18 2HD LYS 18 9.238 -4.129 -4.129 140 2HD LYS 18 1HD LYS 18 8.667 -4.978 -4.978 141 1HE LYS 18 2HE LYS 18 11.006 -5.889 -5.889 142 2HE LYS 18 1HE LYS 18 11.546 -4.914 -4.914 143 1HZ LYS 18 1HZ LYS 18 10.090 -3.288 -3.288 144 2HZ LYS 18 3HZ LYS 18 11.293 -4.130 -4.130 145 3HZ LYS 18 2HZ LYS 18 11.717 -3.164 -3.164 146 H HIS 19 H HIS 19 6.363 -7.373 -7.373 147 HA HIS 19 HA HIS 19 8.341 -7.189 -7.189 148 1HB HIS 19 2HB HIS 19 6.758 -9.570 -9.570 149 2HB HIS 19 1HB HIS 19 7.897 -9.616 -9.616 150 HD1 HIS 19 1HD HIS 19 10.391 -9.405 -9.405 151 HD2 HIS 19 2HD HIS 19 7.853 -9.402 -9.402 152 HE1 HIS 19 1HE HIS 19 11.736 -9.720 -9.720 153 H SER 20 H SER 20 5.679 -5.702 -5.702 154 HA SER 20 HA SER 20 4.822 -6.652 -6.652 155 1HB SER 20 2HB SER 20 2.860 -6.209 -6.209 156 2HB SER 20 1HB SER 20 2.518 -6.733 -6.733 157 HG SER 20 HG SER 20 4.394 -8.373 -8.373 158 H MET 21 H MET 21 6.006 -4.529 -4.529 159 HA MET 21 HA MET 21 4.900 -2.067 -2.067 160 1HB MET 21 2HB MET 21 6.285 -2.708 -2.708 161 2HB MET 21 1HB MET 21 5.865 -1.082 -1.082 162 1HG MET 21 2HG MET 21 7.236 -2.112 -2.112 163 2HG MET 21 1HG MET 21 8.098 -2.755 -2.755 164 1HE MET 21 1HE MET 21 6.177 0.462 0.462 165 2HE MET 21 3HE MET 21 7.269 0.407 0.407 166 3HE MET 21 2HE MET 21 7.423 1.664 1.664 167 1HN DNP 22 HN DAP 22 3.750 -4.347 -4.347 168 HA DNP 22 HA DAP 22 2.034 -2.583 -2.583 169 1HB DNP 22 1HB DAP 22 2.280 -4.970 -4.970 170 2HB DNP 22 2HB DAP 22 0.581 -4.644 -4.644 171 1HG DNP 22 1HG DAP 22 2.232 -6.560 -6.560 172 2HG DNP 22 2HG DAP 22 0.599 -6.256 -6.256 173 3HG DNP 22 3HG DAP 22 1.764 -5.424 -5.424 174 H TYR 23 H TYR 23 1.848 -3.024 -3.024 175 HA TYR 23 HA TYR 23 -0.955 -2.071 -2.071 176 1HB TYR 23 2HB TYR 23 0.184 -3.834 -3.834 177 2HB TYR 23 1HB TYR 23 -1.502 -3.426 -3.426 178 HD1 TYR 23 1HD TYR 23 -2.217 -3.959 -3.959 179 HD2 TYR 23 2HD TYR 23 0.536 -6.102 -6.102 180 HE1 TYR 23 1HE TYR 23 -2.578 -5.936 -5.936 181 HE2 TYR 23 2HE TYR 23 0.205 -8.113 -8.113 182 HH TYR 23 HH TYR 23 -1.985 -8.020 -8.020 183 H ARG 24 H ARG 24 1.790 -2.392 -2.392 184 HA ARG 24 HA ARG 24 1.449 -0.173 -0.173 185 1HB ARG 24 2HB ARG 24 2.974 -1.949 -1.949 186 2HB ARG 24 1HB ARG 24 3.969 -1.358 -1.358 187 1HG ARG 24 2HG ARG 24 4.430 0.591 0.591 188 2HG ARG 24 1HG ARG 24 3.041 0.585 0.585 189 1HD ARG 24 2HD ARG 24 4.392 -0.038 -0.038 190 2HD ARG 24 1HD ARG 24 4.378 -1.595 -1.595 191 HE ARG 24 HE ARG 24 6.452 -0.897 -0.897 192 1HH1 ARG 24 1HH2 ARG 24 7.019 1.769 1.769 193 2HH1 ARG 24 2HH2 ARG 24 7.891 1.905 1.905 194 1HH2 ARG 24 2HH1 ARG 24 6.714 -1.356 -1.356 195 2HH2 ARG 24 1HH1 ARG 24 7.675 -0.037 -0.037 196 H LEU 25 H LEU 25 2.677 -0.242 -0.242 197 HA LEU 25 HA LEU 25 4.063 2.191 2.191 198 1HB LEU 25 2HB LEU 25 4.117 0.468 0.468 199 2HB LEU 25 1HB LEU 25 2.540 0.721 0.721 200 HG LEU 25 HG LEU 25 3.130 3.059 3.059 201 1HD1 LEU 25 1HD1 LEU 25 5.971 2.370 2.370 202 2HD1 LEU 25 3HD1 LEU 25 5.496 3.789 3.789 203 3HD1 LEU 25 2HD1 LEU 25 4.950 3.601 3.601 204 1HD2 LEU 25 2HD2 LEU 25 3.381 1.155 1.155 205 2HD2 LEU 25 1HD2 LEU 25 4.592 2.384 2.384 206 3HD2 LEU 25 3HD2 LEU 25 5.036 0.916 0.916 207 H SER 26 H SER 26 0.958 1.709 1.709 208 HA SER 26 HA SER 26 0.268 4.518 4.518 209 1HB SER 26 2HB SER 26 1.164 4.555 4.555 210 2HB SER 26 1HB SER 26 -0.173 3.494 3.494 211 HG SER 26 HG SER 26 -1.426 5.154 5.154 212 H PHE 27 H PHE 27 -0.519 1.390 1.390 213 HA PHE 27 HA PHE 27 -3.457 1.905 1.905 214 1HB PHE 27 2HB PHE 27 -2.253 -0.703 -0.703 215 2HB PHE 27 1HB PHE 27 -3.766 -0.398 -0.398 216 HD1 PHE 27 2HD PHE 27 -0.068 -0.068 -0.068 217 HD2 PHE 27 1HD PHE 27 -3.949 -0.527 -0.527 218 HE1 PHE 27 2HE PHE 27 0.951 -0.342 -0.342 219 HE2 PHE 27 1HE PHE 27 -2.891 -0.814 -0.814 220 HZ PHE 27 HZ PHE 27 -0.443 -0.731 -0.731 221 H CYS 28 H CYS 28 -1.143 1.024 1.024 222 HA CYS 28 HA CYS 28 -3.200 1.541 1.541 223 1HB CYS 28 2HB CYS 28 -0.672 0.178 0.178 224 2HB CYS 28 1HB CYS 28 -2.329 -0.270 -0.270 225 H ARG 29 H ARG 29 -1.958 3.497 3.497 226 HA ARG 29 HA ARG 29 0.269 4.833 4.833 227 1HB ARG 29 2HB ARG 29 -2.600 5.559 5.559 228 2HB ARG 29 1HB ARG 29 -1.494 6.843 6.843 229 1HG ARG 29 2HG ARG 29 -0.242 6.468 6.468 230 2HG ARG 29 1HG ARG 29 -0.983 4.896 4.896 231 1HD ARG 29 2HD ARG 29 -2.970 5.709 5.709 232 2HD ARG 29 1HD ARG 29 -2.799 7.278 7.278 233 HE ARG 29 HE ARG 29 -1.205 6.295 6.295 234 1HH1 ARG 29 2HH1 ARG 29 0.088 8.571 8.571 235 2HH1 ARG 29 1HH1 ARG 29 -0.685 9.923 9.923 236 1HH2 ARG 29 1HH2 ARG 29 -3.552 7.848 7.848 237 2HH2 ARG 29 2HH2 ARG 29 -3.006 9.472 9.472 238 H LYS 30 H LYS 30 -2.469 5.233 5.233 239 HA LYS 30 HA LYS 30 -0.564 6.091 6.091 240 1HB LYS 30 2HB LYS 30 -3.618 6.159 6.159 241 2HB LYS 30 1HB LYS 30 -2.655 6.850 6.850 242 1HG LYS 30 2HG LYS 30 -1.415 7.768 7.768 243 2HG LYS 30 1HG LYS 30 -3.130 7.903 7.903 244 1HD LYS 30 2HD LYS 30 -3.432 9.419 9.419 245 2HD LYS 30 1HD LYS 30 -1.874 9.056 9.056 246 1HE LYS 30 2HE LYS 30 -2.241 10.273 10.273 247 2HE LYS 30 1HE LYS 30 -1.915 11.230 11.230 248 1HZ LYS 30 1HZ LYS 30 0.075 9.174 9.174 249 2HZ LYS 30 3HZ LYS 30 -0.014 9.919 9.919 250 3HZ LYS 30 2HZ LYS 30 0.362 10.777 10.777 251 H THR 31 H THR 31 -3.063 3.806 3.806 252 HA THR 31 HA THR 31 -3.379 2.197 2.197 253 HB THR 31 HB THR 31 -3.108 1.471 1.471 254 HG1 THR 31 1HG THR 31 -4.932 2.606 2.606 255 1HG2 THR 31 2HG2 THR 31 -4.107 -0.247 -0.247 256 2HG2 THR 31 1HG2 THR 31 -4.127 -0.629 -0.629 257 3HG2 THR 31 3HG2 THR 31 -2.591 -0.595 -0.595 258 H CYS 32 H CYS 32 -0.476 2.456 2.456 259 HA CYS 32 HA CYS 32 0.877 0.420 0.420 260 1HB CYS 32 2HB CYS 32 0.992 1.028 1.028 261 2HB CYS 32 1HB CYS 32 2.552 0.947 0.947 262 H GLY 33 H GLY 33 1.226 3.470 3.470 263 1HA GLY 33 2HA GLY 33 1.976 5.434 5.434 264 2HA GLY 33 1HA GLY 33 3.104 4.363 4.363 265 H THR 34 H THR 34 2.289 4.942 4.942 266 HA THR 34 HA THR 34 5.182 5.119 5.119 267 HB THR 34 HB THR 34 3.806 5.352 5.352 268 HG1 THR 34 1HG THR 34 2.299 3.421 3.421 269 1HG2 THR 34 2HG2 THR 34 5.635 3.707 3.707 270 2HG2 THR 34 1HG2 THR 34 4.402 2.767 2.767 271 3HG2 THR 34 3HG2 THR 34 4.366 2.952 2.952 272 H CYS 35 HN CYS 35 2.221 7.083 7.083 273 HA CYS 35 HA CYS 35 3.950 9.435 9.435 274 1HB CYS 35 2HB CYS 35 1.892 10.146 10.146 275 2HB CYS 35 1HB CYS 35 2.864 8.926 8.926 Start of MODEL 11 1 1H ARG 1 1H ARG 1 0.716 14.308 14.308 2 2H ARG 1 3H ARG 1 1.312 15.226 15.226 3 3H ARG 1 2H ARG 1 2.048 15.308 15.308 4 HA ARG 1 HA ARG 1 0.703 16.932 16.932 5 1HB ARG 1 2HB ARG 1 0.677 17.676 17.676 6 2HB ARG 1 1HB ARG 1 -0.692 16.624 16.624 7 1HG ARG 1 2HG ARG 1 -2.060 17.914 17.914 8 2HG ARG 1 1HG ARG 1 -0.685 18.948 18.948 9 1HD ARG 1 2HD ARG 1 -0.702 19.721 19.721 10 2HD ARG 1 1HD ARG 1 -2.097 18.690 18.690 11 HE ARG 1 HE ARG 1 -2.139 20.942 20.942 12 1HH1 ARG 1 1HH1 ARG 1 -4.221 18.743 18.743 13 2HH1 ARG 1 2HH1 ARG 1 -5.468 19.574 19.574 14 1HH2 ARG 1 1HH2 ARG 1 -3.217 22.229 22.229 15 2HH2 ARG 1 2HH2 ARG 1 -4.845 21.726 21.726 16 H SER 2 H SER 2 -1.660 15.152 15.152 17 HA SER 2 HA SER 2 -3.059 14.233 14.233 18 1HB SER 2 2HB SER 2 -4.523 15.126 15.126 19 2HB SER 2 1HB SER 2 -5.187 14.919 14.919 20 HG SER 2 HG SER 2 -4.325 16.766 16.766 21 H CYS 3 H CYS 3 -3.056 11.941 11.941 22 HA CYS 3 HA CYS 3 -3.323 10.805 10.805 23 1HB CYS 3 2HB CYS 3 -1.496 9.149 9.149 24 2HB CYS 3 1HB CYS 3 -1.010 10.683 10.683 25 H ILE 4 H ILE 4 -4.363 8.919 8.919 26 HA ILE 4 HA ILE 4 -5.502 7.996 7.996 27 HB ILE 4 HB ILE 4 -7.722 7.831 7.831 28 1HG1 ILE 4 2HG1 ILE 4 -7.868 9.173 9.173 29 2HG1 ILE 4 1HG1 ILE 4 -6.239 8.579 8.579 30 1HG2 ILE 4 1HG2 ILE 4 -7.138 9.962 9.962 31 2HG2 ILE 4 3HG2 ILE 4 -6.481 10.587 10.587 32 3HG2 ILE 4 2HG2 ILE 4 -8.196 10.254 10.254 33 1HD1 ILE 4 3HD1 ILE 4 -7.106 6.201 6.201 34 2HD1 ILE 4 2HD1 ILE 4 -8.712 6.862 6.862 35 3HD1 ILE 4 1HD1 ILE 4 -7.877 6.966 6.966 36 H ASP 5 H ASP 5 -5.800 5.958 5.958 37 HA ASP 5 HA ASP 5 -4.360 4.013 4.013 38 1HB ASP 5 2HB ASP 5 -6.313 3.494 3.494 39 2HB ASP 5 1HB ASP 5 -4.786 2.722 2.722 40 H THR 6 H THR 6 -5.570 2.175 2.175 41 HA THR 6 HA THR 6 -8.525 2.431 2.431 42 HB THR 6 HB THR 6 -7.526 3.874 3.874 43 HG1 THR 6 1HG THR 6 -9.284 3.126 3.126 44 1HG2 THR 6 2HG2 THR 6 -6.405 1.216 1.216 45 2HG2 THR 6 1HG2 THR 6 -6.351 2.749 2.749 46 3HG2 THR 6 3HG2 THR 6 -5.421 2.534 2.534 47 H ILE 7 H ILE 7 -6.629 0.903 0.903 48 HA ILE 7 HA ILE 7 -7.035 -1.752 -1.752 49 HB ILE 7 HB ILE 7 -4.643 -0.701 -0.701 50 1HG1 ILE 7 2HG1 ILE 7 -3.567 -2.833 -2.833 51 2HG1 ILE 7 1HG1 ILE 7 -5.144 -3.453 -3.453 52 1HG2 ILE 7 3HG2 ILE 7 -4.921 0.091 0.091 53 2HG2 ILE 7 2HG2 ILE 7 -4.960 -1.589 -1.589 54 3HG2 ILE 7 1HG2 ILE 7 -3.529 -0.937 -0.937 55 1HD1 ILE 7 1HD1 ILE 7 -5.783 -3.125 -3.125 56 2HD1 ILE 7 3HD1 ILE 7 -4.142 -2.583 -2.583 57 3HD1 ILE 7 2HD1 ILE 7 -4.445 -4.235 -4.235 58 HA PRO 8 HA PRO 8 -8.404 -3.099 -3.099 59 1HB PRO 8 2HB PRO 8 -8.182 -5.743 -5.743 60 2HB PRO 8 1HB PRO 8 -9.490 -4.908 -4.908 61 1HG PRO 8 2HG PRO 8 -6.685 -5.541 -5.541 62 2HG PRO 8 1HG PRO 8 -8.242 -6.049 -6.049 63 1HD PRO 8 2HD PRO 8 -7.126 -3.819 -3.819 64 2HD PRO 8 1HD PRO 8 -8.864 -3.786 -3.786 65 H LYS 9 H LYS 9 -7.030 -2.581 -2.581 66 HA LYS 9 HA LYS 9 -4.230 -2.630 -2.630 67 1HB LYS 9 2HB LYS 9 -5.599 -1.561 -1.561 68 2HB LYS 9 1HB LYS 9 -6.066 -3.126 -3.126 69 1HG LYS 9 2HG LYS 9 -3.105 -2.680 -2.680 70 2HG LYS 9 1HG LYS 9 -3.920 -1.803 -1.803 71 1HD LYS 9 2HD LYS 9 -4.567 -3.832 -3.832 72 2HD LYS 9 1HD LYS 9 -4.327 -4.826 -4.826 73 1HE LYS 9 2HE LYS 9 -2.460 -5.120 -5.120 74 2HE LYS 9 1HE LYS 9 -1.892 -4.458 -4.458 75 1HZ LYS 9 3HZ LYS 9 -2.676 -2.318 -2.318 76 2HZ LYS 9 2HZ LYS 9 -1.635 -3.329 -3.329 77 3HZ LYS 9 1HZ LYS 9 -1.139 -2.685 -2.685 78 H SER 10 H SER 10 -6.517 -4.967 -4.967 79 HA SER 10 HA SER 10 -5.389 -7.137 -7.137 80 1HB SER 10 2HB SER 10 -7.036 -7.557 -7.557 81 2HB SER 10 1HB SER 10 -7.240 -8.315 -8.315 82 HG SER 10 HG SER 10 -8.636 -6.722 -6.722 83 H ARG 11 H ARG 11 -5.040 -6.073 -6.073 84 HA ARG 11 HA ARG 11 -3.240 -8.223 -8.223 85 1HB ARG 11 2HB ARG 11 -4.796 -6.549 -6.549 86 2HB ARG 11 1HB ARG 11 -3.356 -5.572 -5.572 87 1HG ARG 11 2HG ARG 11 -3.123 -6.924 -6.924 88 2HG ARG 11 1HG ARG 11 -1.989 -7.549 -7.549 89 1HD ARG 11 2HD ARG 11 -3.811 -9.268 -9.268 90 2HD ARG 11 1HD ARG 11 -4.729 -8.670 -8.670 91 HE ARG 11 HE ARG 11 -1.941 -9.844 -9.844 92 1HH1 ARG 11 1HH2 ARG 11 -2.594 -8.730 -8.730 93 2HH1 ARG 11 2HH2 ARG 11 -3.515 -9.884 -9.884 94 1HH2 ARG 11 2HH1 ARG 11 -4.157 -11.726 -11.726 95 2HH2 ARG 11 1HH1 ARG 11 -4.441 -11.762 -11.762 96 H CYS 12 H CYS 12 -3.088 -4.974 -4.974 97 HA CYS 12 HA CYS 12 -0.169 -4.755 -4.755 98 1HB CYS 12 2HB CYS 12 -2.097 -2.956 -2.956 99 2HB CYS 12 1HB CYS 12 -0.615 -2.490 -2.490 100 H THR 13 H THR 13 -0.720 -6.851 -6.851 101 HA THR 13 HA THR 13 -0.637 -6.455 -6.455 102 HB THR 13 HB THR 13 -1.917 -8.400 -8.400 103 HG1 THR 13 1HG THR 13 -0.061 -9.938 -9.938 104 1HG2 THR 13 2HG2 THR 13 0.757 -9.344 -9.344 105 2HG2 THR 13 1HG2 THR 13 -0.784 -10.198 -10.198 106 3HG2 THR 13 3HG2 THR 13 -0.588 -8.732 -8.732 107 H ALA 14 H ALA 14 1.264 -7.599 -7.599 108 HA ALA 14 HA ALA 14 3.594 -6.251 -6.251 109 1HB ALA 14 3HB ALA 14 3.463 -8.638 -8.638 110 2HB ALA 14 2HB ALA 14 4.869 -7.612 -7.612 111 3HB ALA 14 1HB ALA 14 3.405 -6.944 -6.944 112 H PHE 15 H PHE 15 2.216 -9.156 -9.156 113 HA PHE 15 HA PHE 15 4.612 -10.440 -10.440 114 1HB PHE 15 2HB PHE 15 1.971 -11.346 -11.346 115 2HB PHE 15 1HB PHE 15 3.261 -12.277 -12.277 116 HD1 PHE 15 1HD PHE 15 3.437 -10.960 -10.960 117 HD2 PHE 15 2HD PHE 15 0.060 -12.154 -12.154 118 HE1 PHE 15 1HE PHE 15 2.114 -11.201 -11.201 119 HE2 PHE 15 2HE PHE 15 -1.254 -12.391 -12.391 120 HZ PHE 15 HZ PHE 15 -0.239 -11.919 -11.919 121 H GLN 16 H GLN 16 2.654 -7.946 -7.946 122 HA GLN 16 HA GLN 16 3.709 -8.147 -8.147 123 1HB GLN 16 2HB GLN 16 1.052 -6.912 -6.912 124 2HB GLN 16 1HB GLN 16 1.622 -7.377 -7.377 125 1HG GLN 16 2HG GLN 16 1.566 -9.762 -9.762 126 2HG GLN 16 1HG GLN 16 0.023 -9.022 -9.022 127 1HE2 GLN 16 2HE2 GLN 16 1.879 -10.659 -10.659 128 2HE2 GLN 16 1HE2 GLN 16 2.766 -10.292 -10.292 129 H CYS 17 H CYS 17 2.302 -6.011 -6.011 130 HA CYS 17 HA CYS 17 2.629 -3.501 -3.501 131 1HB CYS 17 2HB CYS 17 1.798 -4.110 -4.110 132 2HB CYS 17 1HB CYS 17 3.412 -4.391 -4.391 133 H LYS 18 H LYS 18 5.173 -5.440 -5.440 134 HA LYS 18 HA LYS 18 7.165 -3.445 -3.445 135 1HB LYS 18 2HB LYS 18 7.351 -3.701 -3.701 136 2HB LYS 18 1HB LYS 18 7.371 -5.440 -5.440 137 1HG LYS 18 2HG LYS 18 9.599 -4.374 -4.374 138 2HG LYS 18 1HG LYS 18 9.609 -5.507 -5.507 139 1HD LYS 18 2HD LYS 18 9.316 -3.281 -3.281 140 2HD LYS 18 1HD LYS 18 9.742 -2.434 -2.434 141 1HE LYS 18 2HE LYS 18 11.708 -2.870 -2.870 142 2HE LYS 18 1HE LYS 18 11.911 -3.612 -3.612 143 1HZ LYS 18 1HZ LYS 18 10.531 -5.414 -5.414 144 2HZ LYS 18 3HZ LYS 18 11.877 -4.879 -4.879 145 3HZ LYS 18 2HZ LYS 18 12.085 -5.601 -5.601 146 H HIS 19 H HIS 19 5.867 -6.157 -6.157 147 HA HIS 19 HA HIS 19 8.306 -7.071 -7.071 148 1HB HIS 19 2HB HIS 19 6.233 -8.824 -8.824 149 2HB HIS 19 1HB HIS 19 7.319 -9.433 -9.433 150 HD1 HIS 19 1HD HIS 19 9.876 -9.258 -9.258 151 HD2 HIS 19 2HD HIS 19 7.433 -8.482 -8.482 152 HE1 HIS 19 1HE HIS 19 11.241 -9.376 -9.376 153 H SER 20 H SER 20 5.576 -5.579 -5.579 154 HA SER 20 HA SER 20 5.147 -6.215 -6.215 155 1HB SER 20 2HB SER 20 3.157 -6.870 -6.870 156 2HB SER 20 1HB SER 20 2.628 -6.528 -6.528 157 HG SER 20 HG SER 20 4.790 -8.280 -8.280 158 H MET 21 H MET 21 6.012 -3.932 -3.932 159 HA MET 21 HA MET 21 4.362 -1.836 -1.836 160 1HB MET 21 2HB MET 21 6.381 -1.837 -1.837 161 2HB MET 21 1HB MET 21 5.591 -0.389 -0.389 162 1HG MET 21 2HG MET 21 6.493 -1.329 -1.329 163 2HG MET 21 1HG MET 21 7.709 -1.956 -1.956 164 1HE MET 21 3HE MET 21 5.552 0.846 0.846 165 2HE MET 21 2HE MET 21 6.585 2.206 2.206 166 3HE MET 21 1HE MET 21 6.073 1.911 1.911 167 1HN DNP 22 HN DAP 22 3.782 -3.987 -3.987 168 HA DNP 22 HA DAP 22 2.259 -2.374 -2.374 169 1HB DNP 22 1HB DAP 22 2.590 -4.802 -4.802 170 2HB DNP 22 2HB DAP 22 0.883 -4.378 -4.378 171 1HG DNP 22 1HG DAP 22 0.582 -5.873 -5.873 172 2HG DNP 22 2HG DAP 22 1.618 -5.041 -5.041 173 3HG DNP 22 3HG DAP 22 2.219 -6.293 -6.293 174 H TYR 23 H TYR 23 1.830 -3.003 -3.003 175 HA TYR 23 HA TYR 23 -0.904 -1.897 -1.897 176 1HB TYR 23 2HB TYR 23 0.110 -3.567 -3.567 177 2HB TYR 23 1HB TYR 23 -1.549 -3.271 -3.271 178 HD1 TYR 23 1HD TYR 23 -2.118 -4.072 -4.072 179 HD2 TYR 23 2HD TYR 23 0.860 -5.746 -5.746 180 HE1 TYR 23 1HE TYR 23 -2.287 -6.195 -6.195 181 HE2 TYR 23 2HE TYR 23 0.711 -7.875 -7.875 182 HH TYR 23 HH TYR 23 -0.225 -8.960 -8.960 183 H ARG 24 H ARG 24 1.863 -2.315 -2.315 184 HA ARG 24 HA ARG 24 1.511 0.065 0.065 185 1HB ARG 24 2HB ARG 24 3.063 -2.191 -2.191 186 2HB ARG 24 1HB ARG 24 4.273 -1.053 -1.053 187 1HG ARG 24 2HG ARG 24 2.496 0.056 0.056 188 2HG ARG 24 1HG ARG 24 3.307 -1.393 -1.393 189 1HD ARG 24 2HD ARG 24 4.979 0.566 0.566 190 2HD ARG 24 1HD ARG 24 4.352 1.109 1.109 191 HE ARG 24 HE ARG 24 5.945 -1.368 -1.368 192 1HH1 ARG 24 1HH2 ARG 24 4.953 -1.689 -1.689 193 2HH1 ARG 24 2HH2 ARG 24 5.947 -0.753 -0.753 194 1HH2 ARG 24 2HH1 ARG 24 7.086 1.167 1.167 195 2HH2 ARG 24 1HH1 ARG 24 7.264 1.015 1.015 196 H LEU 25 H LEU 25 1.946 0.213 0.213 197 HA LEU 25 HA LEU 25 3.938 2.458 2.458 198 1HB LEU 25 2HB LEU 25 4.180 0.766 0.766 199 2HB LEU 25 1HB LEU 25 2.608 0.908 0.908 200 HG LEU 25 HG LEU 25 3.046 3.165 3.165 201 1HD1 LEU 25 3HD1 LEU 25 4.640 4.025 4.025 202 2HD1 LEU 25 2HD1 LEU 25 5.870 2.940 2.940 203 3HD1 LEU 25 1HD1 LEU 25 5.258 4.247 4.247 204 1HD2 LEU 25 3HD2 LEU 25 5.332 1.235 1.235 205 2HD2 LEU 25 2HD2 LEU 25 3.741 1.201 1.201 206 3HD2 LEU 25 1HD2 LEU 25 4.812 2.558 2.558 207 H SER 26 H SER 26 1.072 1.960 1.960 208 HA SER 26 HA SER 26 0.117 4.636 4.636 209 1HB SER 26 2HB SER 26 -0.017 3.218 3.218 210 2HB SER 26 1HB SER 26 -0.913 4.686 4.686 211 HG SER 26 HG SER 26 1.743 4.800 4.800 212 H PHE 27 H PHE 27 -0.458 1.583 1.583 213 HA PHE 27 HA PHE 27 -3.427 1.981 1.981 214 1HB PHE 27 2HB PHE 27 -2.178 -0.614 -0.614 215 2HB PHE 27 1HB PHE 27 -3.665 -0.279 -0.279 216 HD1 PHE 27 2HD PHE 27 0.054 0.238 0.238 217 HD2 PHE 27 1HD PHE 27 -3.757 -0.500 -0.500 218 HE1 PHE 27 2HE PHE 27 1.126 0.027 0.027 219 HE2 PHE 27 1HE PHE 27 -2.647 -0.723 -0.723 220 HZ PHE 27 HZ PHE 27 -0.192 -0.490 -0.490 221 H CYS 28 H CYS 28 -0.939 1.235 1.235 222 HA CYS 28 HA CYS 28 -3.097 1.584 1.584 223 1HB CYS 28 2HB CYS 28 -0.516 0.340 0.340 224 2HB CYS 28 1HB CYS 28 -2.140 -0.234 -0.234 225 H ARG 29 H ARG 29 -1.722 3.529 3.529 226 HA ARG 29 HA ARG 29 0.436 4.847 4.847 227 1HB ARG 29 2HB ARG 29 -2.360 5.692 5.692 228 2HB ARG 29 1HB ARG 29 -1.187 6.884 6.884 229 1HG ARG 29 2HG ARG 29 -0.003 6.679 6.679 230 2HG ARG 29 1HG ARG 29 -0.621 5.062 5.062 231 1HD ARG 29 2HD ARG 29 -2.661 5.774 5.774 232 2HD ARG 29 1HD ARG 29 -2.632 7.297 7.297 233 HE ARG 29 HE ARG 29 -0.995 8.110 8.110 234 1HH1 ARG 29 2HH1 ARG 29 -3.866 6.644 6.644 235 2HH1 ARG 29 1HH1 ARG 29 -3.689 6.157 6.157 236 1HH2 ARG 29 1HH2 ARG 29 -0.231 7.035 7.035 237 2HH2 ARG 29 2HH2 ARG 29 -1.503 6.523 6.523 238 H LYS 30 H LYS 30 -2.466 5.105 5.105 239 HA LYS 30 HA LYS 30 -0.781 6.179 6.179 240 1HB LYS 30 2HB LYS 30 -3.789 5.703 5.703 241 2HB LYS 30 1HB LYS 30 -2.860 6.689 6.689 242 1HG LYS 30 2HG LYS 30 -2.843 7.257 7.257 243 2HG LYS 30 1HG LYS 30 -4.164 7.781 7.781 244 1HD LYS 30 2HD LYS 30 -2.234 8.933 8.933 245 2HD LYS 30 1HD LYS 30 -1.147 8.386 8.386 246 1HE LYS 30 2HE LYS 30 -1.920 10.768 10.768 247 2HE LYS 30 1HE LYS 30 -2.174 9.727 9.727 248 1HZ LYS 30 2HZ LYS 30 -4.435 9.509 9.509 249 2HZ LYS 30 1HZ LYS 30 -4.124 11.159 11.159 250 3HZ LYS 30 3HZ LYS 30 -4.290 10.103 10.103 251 H THR 31 H THR 31 -3.047 3.740 3.740 252 HA THR 31 HA THR 31 -3.359 2.137 2.137 253 HB THR 31 HB THR 31 -2.843 1.433 1.433 254 HG1 THR 31 1HG THR 31 -4.818 2.388 2.388 255 1HG2 THR 31 1HG2 THR 31 -3.838 -0.391 -0.391 256 2HG2 THR 31 3HG2 THR 31 -3.744 -0.743 -0.743 257 3HG2 THR 31 2HG2 THR 31 -2.272 -0.611 -0.611 258 H CYS 32 H CYS 32 -0.432 2.408 2.408 259 HA CYS 32 HA CYS 32 0.961 0.672 0.672 260 1HB CYS 32 2HB CYS 32 1.358 1.177 1.177 261 2HB CYS 32 1HB CYS 32 2.745 0.757 0.757 262 H GLY 33 H GLY 33 1.254 3.470 3.470 263 1HA GLY 33 2HA GLY 33 1.763 5.674 5.674 264 2HA GLY 33 1HA GLY 33 2.868 4.815 4.815 265 H THR 34 H THR 34 2.311 4.735 4.735 266 HA THR 34 HA THR 34 5.164 5.484 5.484 267 HB THR 34 HB THR 34 4.380 3.957 3.957 268 HG1 THR 34 1HG THR 34 3.172 2.426 2.426 269 1HG2 THR 34 3HG2 THR 34 6.541 3.864 3.864 270 2HG2 THR 34 2HG2 THR 34 5.630 2.977 2.977 271 3HG2 THR 34 1HG2 THR 34 5.941 2.281 2.281 272 H CYS 35 HN CYS 35 2.466 7.075 7.075 273 HA CYS 35 HA CYS 35 3.141 8.501 8.501 274 1HB CYS 35 2HB CYS 35 1.056 8.396 8.396 275 2HB CYS 35 1HB CYS 35 0.940 7.034 7.034 Start of MODEL 12 1 1H ARG 1 2H ARG 1 0.688 15.449 15.449 2 2H ARG 1 1H ARG 1 1.594 15.863 15.863 3 3H ARG 1 3H ARG 1 1.054 17.080 17.080 4 HA ARG 1 HA ARG 1 -0.891 17.252 17.252 5 1HB ARG 1 2HB ARG 1 0.609 16.600 16.600 6 2HB ARG 1 1HB ARG 1 0.189 14.925 14.925 7 1HG ARG 1 2HG ARG 1 -2.019 15.169 15.169 8 2HG ARG 1 1HG ARG 1 -2.044 16.914 16.914 9 1HD ARG 1 2HD ARG 1 -0.261 15.494 15.494 10 2HD ARG 1 1HD ARG 1 -1.894 16.024 16.024 11 HE ARG 1 HE ARG 1 -1.125 18.382 18.382 12 1HH1 ARG 1 1HH2 ARG 1 1.351 18.457 18.457 13 2HH1 ARG 1 2HH2 ARG 1 2.489 18.498 18.498 14 1HH2 ARG 1 1HH1 ARG 1 0.048 17.256 17.256 15 2HH2 ARG 1 2HH1 ARG 1 1.692 17.748 17.748 16 H SER 2 H SER 2 -2.847 15.377 15.377 17 HA SER 2 HA SER 2 -3.316 14.020 14.020 18 1HB SER 2 2HB SER 2 -5.286 14.966 14.966 19 2HB SER 2 1HB SER 2 -4.912 13.768 13.768 20 HG SER 2 HG SER 2 -6.305 13.338 13.338 21 H CYS 3 H CYS 3 -3.886 11.936 11.936 22 HA CYS 3 HA CYS 3 -2.540 9.992 9.992 23 1HB CYS 3 2HB CYS 3 -2.169 10.595 10.595 24 2HB CYS 3 1HB CYS 3 -1.924 8.949 8.949 25 H ILE 4 H ILE 4 -4.134 8.378 8.378 26 HA ILE 4 HA ILE 4 -5.952 7.813 7.813 27 HB ILE 4 HB ILE 4 -7.904 7.883 7.883 28 1HG1 ILE 4 2HG1 ILE 4 -7.263 9.167 9.167 29 2HG1 ILE 4 1HG1 ILE 4 -5.819 8.211 8.211 30 1HG2 ILE 4 2HG2 ILE 4 -7.327 9.992 9.992 31 2HG2 ILE 4 1HG2 ILE 4 -6.306 10.478 10.478 32 3HG2 ILE 4 3HG2 ILE 4 -8.032 10.311 10.311 33 1HD1 ILE 4 2HD1 ILE 4 -8.634 7.058 7.058 34 2HD1 ILE 4 1HD1 ILE 4 -7.502 6.954 6.954 35 3HD1 ILE 4 3HD1 ILE 4 -7.154 6.134 6.134 36 H ASP 5 H ASP 5 -6.482 5.588 5.588 37 HA ASP 5 HA ASP 5 -4.805 3.905 3.905 38 1HB ASP 5 2HB ASP 5 -6.830 3.094 3.094 39 2HB ASP 5 1HB ASP 5 -5.508 2.121 2.121 40 H THR 6 H THR 6 -5.853 2.151 2.151 41 HA THR 6 HA THR 6 -8.758 2.365 2.365 42 HB THR 6 HB THR 6 -7.457 4.003 4.003 43 HG1 THR 6 1HG THR 6 -9.185 3.444 3.444 44 1HG2 THR 6 3HG2 THR 6 -5.428 2.506 2.506 45 2HG2 THR 6 2HG2 THR 6 -6.451 1.393 1.393 46 3HG2 THR 6 1HG2 THR 6 -6.158 3.007 3.007 47 H ILE 7 H ILE 7 -6.920 0.736 0.736 48 HA ILE 7 HA ILE 7 -7.257 -1.855 -1.855 49 HB ILE 7 HB ILE 7 -4.910 -0.736 -0.736 50 1HG1 ILE 7 2HG1 ILE 7 -3.648 -2.715 -2.715 51 2HG1 ILE 7 1HG1 ILE 7 -5.116 -3.444 -3.444 52 1HG2 ILE 7 1HG2 ILE 7 -5.130 0.174 0.174 53 2HG2 ILE 7 3HG2 ILE 7 -5.111 -1.464 -1.464 54 3HG2 ILE 7 2HG2 ILE 7 -3.710 -0.818 -0.818 55 1HD1 ILE 7 3HD1 ILE 7 -4.491 -2.617 -2.617 56 2HD1 ILE 7 2HD1 ILE 7 -4.536 -4.270 -4.270 57 3HD1 ILE 7 1HD1 ILE 7 -6.010 -3.325 -3.325 58 HA PRO 8 HA PRO 8 -8.405 -2.886 -2.886 59 1HB PRO 8 2HB PRO 8 -8.691 -5.496 -5.496 60 2HB PRO 8 1HB PRO 8 -9.763 -4.563 -4.563 61 1HG PRO 8 2HG PRO 8 -7.068 -5.774 -5.774 62 2HG PRO 8 1HG PRO 8 -8.655 -6.087 -6.087 63 1HD PRO 8 2HD PRO 8 -7.091 -4.107 -4.107 64 2HD PRO 8 1HD PRO 8 -8.847 -3.884 -3.884 65 H LYS 9 H LYS 9 -7.048 -2.657 -2.657 66 HA LYS 9 HA LYS 9 -4.271 -2.687 -2.687 67 1HB LYS 9 2HB LYS 9 -4.192 -2.795 -2.795 68 2HB LYS 9 1HB LYS 9 -5.565 -1.790 -1.790 69 1HG LYS 9 2HG LYS 9 -7.021 -2.994 -2.994 70 2HG LYS 9 1HG LYS 9 -6.509 -4.529 -4.529 71 1HD LYS 9 2HD LYS 9 -4.787 -3.040 -3.040 72 2HD LYS 9 1HD LYS 9 -6.158 -3.946 -3.946 73 1HE LYS 9 2HE LYS 9 -4.017 -5.241 -5.241 74 2HE LYS 9 1HE LYS 9 -3.812 -5.163 -5.163 75 1HZ LYS 9 3HZ LYS 9 -6.427 -6.103 -6.103 76 2HZ LYS 9 2HZ LYS 9 -5.344 -6.992 -6.992 77 3HZ LYS 9 1HZ LYS 9 -5.127 -6.909 -6.909 78 H SER 10 H SER 10 -6.428 -5.124 -5.124 79 HA SER 10 HA SER 10 -4.899 -7.307 -7.307 80 1HB SER 10 2HB SER 10 -6.573 -8.710 -8.710 81 2HB SER 10 1HB SER 10 -7.309 -7.663 -7.663 82 HG SER 10 HG SER 10 -7.455 -7.423 -7.423 83 H ARG 11 H ARG 11 -5.102 -6.012 -6.012 84 HA ARG 11 HA ARG 11 -3.384 -8.100 -8.100 85 1HB ARG 11 2HB ARG 11 -5.245 -6.515 -6.515 86 2HB ARG 11 1HB ARG 11 -3.897 -5.409 -5.409 87 1HG ARG 11 2HG ARG 11 -3.963 -6.661 -6.661 88 2HG ARG 11 1HG ARG 11 -2.544 -7.076 -7.076 89 1HD ARG 11 2HD ARG 11 -3.664 -9.144 -9.144 90 2HD ARG 11 1HD ARG 11 -5.086 -8.743 -8.743 91 HE ARG 11 HE ARG 11 -2.355 -9.117 -9.117 92 1HH1 ARG 11 1HH2 ARG 11 -4.475 -8.392 -8.392 93 2HH1 ARG 11 2HH2 ARG 11 -5.093 -9.855 -9.855 94 1HH2 ARG 11 2HH1 ARG 11 -3.575 -11.684 -11.684 95 2HH2 ARG 11 1HH1 ARG 11 -4.543 -11.910 -11.910 96 H CYS 12 H CYS 12 -3.137 -5.086 -5.086 97 HA CYS 12 HA CYS 12 -0.247 -4.711 -4.711 98 1HB CYS 12 2HB CYS 12 -2.199 -2.921 -2.921 99 2HB CYS 12 1HB CYS 12 -0.739 -2.464 -2.464 100 H THR 13 H THR 13 -1.441 -6.785 -6.785 101 HA THR 13 HA THR 13 -1.403 -6.221 -6.221 102 HB THR 13 HB THR 13 -2.373 -8.360 -8.360 103 HG1 THR 13 1HG THR 13 -0.518 -9.771 -9.771 104 1HG2 THR 13 2HG2 THR 13 0.409 -9.025 -9.025 105 2HG2 THR 13 1HG2 THR 13 -0.998 -10.093 -10.093 106 3HG2 THR 13 3HG2 THR 13 -1.011 -8.635 -8.635 107 H ALA 14 H ALA 14 0.345 -7.069 -7.069 108 HA ALA 14 HA ALA 14 2.744 -5.623 -5.623 109 1HB ALA 14 1HB ALA 14 2.086 -6.482 -6.482 110 2HB ALA 14 3HB ALA 14 2.404 -8.128 -8.128 111 3HB ALA 14 2HB ALA 14 3.721 -6.970 -6.970 112 H PHE 15 H PHE 15 1.687 -8.632 -8.632 113 HA PHE 15 HA PHE 15 4.221 -9.805 -9.805 114 1HB PHE 15 2HB PHE 15 1.738 -10.596 -10.596 115 2HB PHE 15 1HB PHE 15 2.984 -11.584 -11.584 116 HD1 PHE 15 2HD PHE 15 2.608 -10.147 -10.147 117 HD2 PHE 15 1HD PHE 15 0.015 -12.073 -12.073 118 HE1 PHE 15 2HE PHE 15 1.079 -10.724 -10.724 119 HE2 PHE 15 1HE PHE 15 -1.503 -12.647 -12.647 120 HZ PHE 15 HZ PHE 15 -0.981 -11.973 -11.973 121 H GLN 16 H GLN 16 1.970 -7.684 -7.684 122 HA GLN 16 HA GLN 16 3.705 -7.833 -7.833 123 1HB GLN 16 2HB GLN 16 0.874 -6.715 -6.715 124 2HB GLN 16 1HB GLN 16 1.657 -7.196 -7.196 125 1HG GLN 16 2HG GLN 16 1.848 -9.467 -9.467 126 2HG GLN 16 1HG GLN 16 0.235 -8.826 -8.826 127 1HE2 GLN 16 2HE2 GLN 16 1.471 -10.612 -10.612 128 2HE2 GLN 16 1HE2 GLN 16 2.635 -10.163 -10.163 129 H CYS 17 H CYS 17 2.530 -5.859 -5.859 130 HA CYS 17 HA CYS 17 2.984 -3.190 -3.190 131 1HB CYS 17 2HB CYS 17 2.005 -4.035 -4.035 132 2HB CYS 17 1HB CYS 17 3.616 -4.235 -4.235 133 H LYS 18 H LYS 18 5.148 -5.607 -5.607 134 HA LYS 18 HA LYS 18 7.445 -3.695 -3.695 135 1HB LYS 18 2HB LYS 18 7.144 -4.554 -4.554 136 2HB LYS 18 1HB LYS 18 7.370 -6.193 -6.193 137 1HG LYS 18 2HG LYS 18 9.664 -5.976 -5.976 138 2HG LYS 18 1HG LYS 18 9.573 -4.320 -4.320 139 1HD LYS 18 2HD LYS 18 10.617 -4.406 -4.406 140 2HD LYS 18 1HD LYS 18 9.100 -3.524 -3.524 141 1HE LYS 18 2HE LYS 18 8.013 -5.775 -5.775 142 2HE LYS 18 1HE LYS 18 9.654 -6.367 -6.367 143 1HZ LYS 18 1HZ LYS 18 9.448 -3.829 -3.829 144 2HZ LYS 18 3HZ LYS 18 8.156 -4.777 -4.777 145 3HZ LYS 18 2HZ LYS 18 9.751 -5.323 -5.323 146 H HIS 19 H HIS 19 5.840 -5.768 -5.768 147 HA HIS 19 HA HIS 19 8.233 -6.724 -6.724 148 1HB HIS 19 2HB HIS 19 5.923 -8.499 -8.499 149 2HB HIS 19 1HB HIS 19 7.083 -8.947 -8.947 150 HD1 HIS 19 1HD HIS 19 9.635 -8.716 -8.716 151 HD2 HIS 19 2HD HIS 19 6.790 -9.090 -9.090 152 HE1 HIS 19 1HE HIS 19 10.754 -9.461 -9.461 153 H SER 20 H SER 20 4.712 -6.466 -6.466 154 HA SER 20 HA SER 20 4.789 -6.555 -6.555 155 1HB SER 20 2HB SER 20 2.468 -5.999 -5.999 156 2HB SER 20 1HB SER 20 2.389 -6.623 -6.623 157 HG SER 20 HG SER 20 2.445 -8.479 -8.479 158 H MET 21 H MET 21 6.025 -4.547 -4.547 159 HA MET 21 HA MET 21 4.984 -1.941 -1.941 160 1HB MET 21 2HB MET 21 6.782 -2.908 -2.908 161 2HB MET 21 1HB MET 21 6.183 -1.264 -1.264 162 1HG MET 21 2HG MET 21 7.148 -1.726 -1.726 163 2HG MET 21 1HG MET 21 8.326 -2.390 -2.390 164 1HE MET 21 1HE MET 21 5.841 0.290 0.290 165 2HE MET 21 3HE MET 21 6.727 1.626 1.626 166 3HE MET 21 2HE MET 21 6.535 1.484 1.484 167 1HN DNP 22 HN DAP 22 3.667 -4.162 -4.162 168 HA DNP 22 HA DAP 22 2.429 -2.136 -2.136 169 1HB DNP 22 1HB DAP 22 0.738 -3.760 -3.760 170 2HB DNP 22 2HB DAP 22 1.021 -4.676 -4.676 171 1HG DNP 22 1HG DAP 22 2.602 -5.835 -5.835 172 2HG DNP 22 2HG DAP 22 3.475 -4.399 -4.399 173 3HG DNP 22 3HG DAP 22 2.343 -4.907 -4.907 174 H TYR 23 H TYR 23 1.378 -3.618 -3.618 175 HA TYR 23 HA TYR 23 -0.818 -1.686 -1.686 176 1HB TYR 23 2HB TYR 23 -0.050 -3.378 -3.378 177 2HB TYR 23 1HB TYR 23 -1.624 -2.955 -2.955 178 HD1 TYR 23 2HD TYR 23 -2.029 -3.947 -3.947 179 HD2 TYR 23 1HD TYR 23 0.375 -5.671 -5.671 180 HE1 TYR 23 2HE TYR 23 -2.298 -6.150 -6.150 181 HE2 TYR 23 1HE TYR 23 0.115 -7.848 -7.848 182 HH TYR 23 HH TYR 23 -0.732 -8.439 -8.439 183 H ARG 24 H ARG 24 2.186 -2.337 -2.337 184 HA ARG 24 HA ARG 24 2.312 -0.085 -0.085 185 1HB ARG 24 2HB ARG 24 3.622 -2.580 -2.580 186 2HB ARG 24 1HB ARG 24 4.876 -1.399 -1.399 187 1HG ARG 24 2HG ARG 24 2.859 -1.632 -1.632 188 2HG ARG 24 1HG ARG 24 4.416 -2.429 -2.429 189 1HD ARG 24 2HD ARG 24 3.786 0.515 0.515 190 2HD ARG 24 1HD ARG 24 4.895 -0.480 -0.480 191 HE ARG 24 HE ARG 24 5.466 0.514 0.514 192 1HH1 ARG 24 2HH1 ARG 24 6.436 -1.691 -1.691 193 2HH1 ARG 24 1HH1 ARG 24 8.051 -1.186 -1.186 194 1HH2 ARG 24 1HH2 ARG 24 7.292 1.964 1.964 195 2HH2 ARG 24 2HH2 ARG 24 8.567 1.134 1.134 196 H LEU 25 H LEU 25 2.007 0.433 0.433 197 HA LEU 25 HA LEU 25 4.337 2.243 2.243 198 1HB LEU 25 2HB LEU 25 4.076 0.779 0.779 199 2HB LEU 25 1HB LEU 25 2.393 0.722 0.722 200 HG LEU 25 HG LEU 25 2.467 3.107 3.107 201 1HD1 LEU 25 1HD1 LEU 25 5.491 2.649 2.649 202 2HD1 LEU 25 3HD1 LEU 25 4.659 3.999 3.999 203 3HD1 LEU 25 2HD1 LEU 25 4.646 3.826 3.826 204 1HD2 LEU 25 1HD2 LEU 25 4.207 1.017 1.017 205 2HD2 LEU 25 3HD2 LEU 25 2.456 1.096 1.096 206 3HD2 LEU 25 2HD2 LEU 25 3.426 2.373 2.373 207 H SER 26 H SER 26 1.012 2.154 2.154 208 HA SER 26 HA SER 26 0.531 4.701 4.701 209 1HB SER 26 2HB SER 26 1.326 5.230 5.230 210 2HB SER 26 1HB SER 26 -0.122 4.383 4.383 211 HG SER 26 HG SER 26 0.009 6.852 6.852 212 H PHE 27 H PHE 27 -0.284 1.696 1.696 213 HA PHE 27 HA PHE 27 -3.234 2.237 2.237 214 1HB PHE 27 2HB PHE 27 -2.078 -0.410 -0.410 215 2HB PHE 27 1HB PHE 27 -3.660 -0.058 -0.058 216 HD1 PHE 27 1HD PHE 27 -1.368 1.769 1.769 217 HD2 PHE 27 2HD PHE 27 -2.948 -2.121 -2.121 218 HE1 PHE 27 1HE PHE 27 -0.769 1.076 1.076 219 HE2 PHE 27 2HE PHE 27 -2.343 -2.797 -2.797 220 HZ PHE 27 HZ PHE 27 -1.253 -1.207 -1.207 221 H CYS 28 H CYS 28 -1.010 1.218 1.218 222 HA CYS 28 HA CYS 28 -3.220 1.674 1.674 223 1HB CYS 28 2HB CYS 28 -0.692 0.390 0.390 224 2HB CYS 28 1HB CYS 28 -2.341 -0.179 -0.179 225 H ARG 29 H ARG 29 -2.268 3.769 3.769 226 HA ARG 29 HA ARG 29 -0.079 5.259 5.259 227 1HB ARG 29 2HB ARG 29 -2.909 5.837 5.837 228 2HB ARG 29 1HB ARG 29 -1.984 6.946 6.946 229 1HG ARG 29 2HG ARG 29 -2.161 8.083 8.083 230 2HG ARG 29 1HG ARG 29 -0.538 7.456 7.456 231 1HD ARG 29 2HD ARG 29 -0.929 5.925 5.925 232 2HD ARG 29 1HD ARG 29 -2.666 5.886 5.886 233 HE ARG 29 HE ARG 29 -1.286 8.344 8.344 234 1HH1 ARG 29 1HH2 ARG 29 -3.727 9.274 9.274 235 2HH1 ARG 29 2HH2 ARG 29 -4.660 8.429 8.429 236 1HH2 ARG 29 2HH1 ARG 29 -2.237 5.834 5.834 237 2HH2 ARG 29 1HH1 ARG 29 -3.752 6.278 6.278 238 H LYS 30 H LYS 30 -2.551 5.192 5.192 239 HA LYS 30 HA LYS 30 -0.748 6.087 6.087 240 1HB LYS 30 2HB LYS 30 -3.790 5.747 5.747 241 2HB LYS 30 1HB LYS 30 -2.984 6.310 6.310 242 1HG LYS 30 2HG LYS 30 -2.459 7.652 7.652 243 2HG LYS 30 1HG LYS 30 -3.916 8.055 8.055 244 1HD LYS 30 2HD LYS 30 -2.588 8.646 8.646 245 2HD LYS 30 1HD LYS 30 -1.102 8.122 8.122 246 1HE LYS 30 2HE LYS 30 -1.176 9.945 9.945 247 2HE LYS 30 1HE LYS 30 -2.781 10.464 10.464 248 1HZ LYS 30 3HZ LYS 30 -1.057 10.224 10.224 249 2HZ LYS 30 2HZ LYS 30 -0.293 11.171 11.171 250 3HZ LYS 30 1HZ LYS 30 -1.823 11.622 11.622 251 H THR 31 H THR 31 -3.154 3.697 3.697 252 HA THR 31 HA THR 31 -3.143 2.047 2.047 253 HB THR 31 HB THR 31 -3.186 1.374 1.374 254 HG1 THR 31 1HG THR 31 -4.987 2.418 2.418 255 1HG2 THR 31 1HG2 THR 31 -3.859 -0.455 -0.455 256 2HG2 THR 31 3HG2 THR 31 -4.071 -0.757 -0.757 257 3HG2 THR 31 2HG2 THR 31 -2.452 -0.716 -0.716 258 H CYS 32 H CYS 32 -0.421 2.227 2.227 259 HA CYS 32 HA CYS 32 1.039 0.502 0.502 260 1HB CYS 32 2HB CYS 32 0.754 -0.659 -0.659 261 2HB CYS 32 1HB CYS 32 1.510 0.693 0.693 262 H GLY 33 H GLY 33 1.137 3.183 3.183 263 1HA GLY 33 2HA GLY 33 2.241 5.295 5.295 264 2HA GLY 33 1HA GLY 33 3.431 4.313 4.313 265 H THR 34 H THR 34 2.053 4.529 4.529 266 HA THR 34 HA THR 34 4.700 3.887 3.887 267 HB THR 34 HB THR 34 3.447 3.318 3.318 268 HG1 THR 34 1HG THR 34 2.040 4.750 4.750 269 1HG2 THR 34 2HG2 THR 34 2.752 1.816 1.816 270 2HG2 THR 34 1HG2 THR 34 1.407 2.893 2.893 271 3HG2 THR 34 3HG2 THR 34 1.499 1.969 1.969 272 H CYS 35 HN CYS 35 2.299 6.508 6.508 273 HA CYS 35 HA CYS 35 4.037 8.241 8.241 274 1HB CYS 35 2HB CYS 35 2.022 9.588 9.588 275 2HB CYS 35 1HB CYS 35 1.638 7.965 7.965 Start of MODEL 13 1 1H ARG 1 2H ARG 1 -3.623 16.752 16.752 2 2H ARG 1 1H ARG 1 -3.098 18.342 18.342 3 3H ARG 1 3H ARG 1 -2.283 17.036 17.036 4 HA ARG 1 HA ARG 1 -0.932 16.823 16.823 5 1HB ARG 1 2HB ARG 1 -2.705 19.005 19.005 6 2HB ARG 1 1HB ARG 1 -1.128 18.528 18.528 7 1HG ARG 1 2HG ARG 1 -0.048 19.350 19.350 8 2HG ARG 1 1HG ARG 1 -1.602 19.777 19.777 9 1HD ARG 1 2HD ARG 1 -2.005 21.407 21.407 10 2HD ARG 1 1HD ARG 1 -0.463 20.977 20.977 11 HE ARG 1 HE ARG 1 -0.670 22.175 22.175 12 1HH1 ARG 1 1HH1 ARG 1 1.905 21.129 21.129 13 2HH1 ARG 1 2HH1 ARG 1 2.740 22.476 22.476 14 1HH2 ARG 1 1HH2 ARG 1 -0.351 24.220 24.220 15 2HH2 ARG 1 2HH2 ARG 1 1.338 24.397 24.397 16 H SER 2 H SER 2 -2.498 14.884 14.884 17 HA SER 2 HA SER 2 -3.457 14.163 14.163 18 1HB SER 2 2HB SER 2 -5.634 13.421 13.421 19 2HB SER 2 1HB SER 2 -5.586 14.915 14.915 20 HG SER 2 HG SER 2 -5.645 14.694 14.694 21 H CYS 3 H CYS 3 -3.809 11.926 11.926 22 HA CYS 3 HA CYS 3 -2.547 10.244 10.244 23 1HB CYS 3 2HB CYS 3 -1.751 10.731 10.731 24 2HB CYS 3 1HB CYS 3 -1.769 9.037 9.037 25 H ILE 4 H ILE 4 -4.399 9.130 9.130 26 HA ILE 4 HA ILE 4 -6.049 7.904 7.904 27 HB ILE 4 HB ILE 4 -7.967 8.050 8.050 28 1HG1 ILE 4 2HG1 ILE 4 -7.540 9.452 9.452 29 2HG1 ILE 4 1HG1 ILE 4 -5.947 8.737 8.737 30 1HG2 ILE 4 1HG2 ILE 4 -7.521 10.106 10.106 31 2HG2 ILE 4 3HG2 ILE 4 -6.494 10.717 10.717 32 3HG2 ILE 4 2HG2 ILE 4 -8.218 10.492 10.492 33 1HD1 ILE 4 1HD1 ILE 4 -7.002 6.438 6.438 34 2HD1 ILE 4 3HD1 ILE 4 -8.577 7.183 7.183 35 3HD1 ILE 4 2HD1 ILE 4 -7.451 7.309 7.309 36 H ASP 5 H ASP 5 -6.275 5.802 5.802 37 HA ASP 5 HA ASP 5 -4.611 4.170 4.170 38 1HB ASP 5 2HB ASP 5 -6.645 3.474 3.474 39 2HB ASP 5 1HB ASP 5 -5.326 2.479 2.479 40 H THR 6 H THR 6 -5.564 2.311 2.311 41 HA THR 6 HA THR 6 -8.378 2.553 2.553 42 HB THR 6 HB THR 6 -7.473 2.026 2.026 43 HG1 THR 6 1HG THR 6 -5.524 1.242 1.242 44 1HG2 THR 6 1HG2 THR 6 -7.600 4.527 4.527 45 2HG2 THR 6 3HG2 THR 6 -5.936 4.373 4.373 46 3HG2 THR 6 2HG2 THR 6 -6.330 4.217 4.217 47 H ILE 7 H ILE 7 -6.689 0.928 0.928 48 HA ILE 7 HA ILE 7 -7.459 -1.730 -1.730 49 HB ILE 7 HB ILE 7 -5.056 -1.180 -1.180 50 1HG1 ILE 7 2HG1 ILE 7 -3.997 -3.021 -3.021 51 2HG1 ILE 7 1HG1 ILE 7 -5.541 -3.351 -3.351 52 1HG2 ILE 7 1HG2 ILE 7 -4.895 0.272 0.272 53 2HG2 ILE 7 3HG2 ILE 7 -5.016 -1.172 -1.172 54 3HG2 ILE 7 2HG2 ILE 7 -3.647 -0.939 -0.939 55 1HD1 ILE 7 3HD1 ILE 7 -6.496 -3.688 -3.688 56 2HD1 ILE 7 2HD1 ILE 7 -4.884 -3.419 -3.419 57 3HD1 ILE 7 1HD1 ILE 7 -5.222 -4.823 -4.823 58 HA PRO 8 HA PRO 8 -8.645 -3.001 -3.001 59 1HB PRO 8 2HB PRO 8 -8.275 -5.655 -5.655 60 2HB PRO 8 1HB PRO 8 -9.751 -4.855 -4.855 61 1HG PRO 8 2HG PRO 8 -7.126 -5.226 -5.226 62 2HG PRO 8 1HG PRO 8 -8.719 -5.874 -5.874 63 1HD PRO 8 2HD PRO 8 -8.169 -3.555 -3.555 64 2HD PRO 8 1HD PRO 8 -9.664 -3.592 -3.592 65 H LYS 9 H LYS 9 -7.228 -2.471 -2.471 66 HA LYS 9 HA LYS 9 -4.460 -2.521 -2.521 67 1HB LYS 9 2HB LYS 9 -5.851 -1.579 -1.579 68 2HB LYS 9 1HB LYS 9 -6.159 -3.194 -3.194 69 1HG LYS 9 2HG LYS 9 -3.271 -2.412 -2.412 70 2HG LYS 9 1HG LYS 9 -4.169 -1.770 -1.770 71 1HD LYS 9 2HD LYS 9 -4.510 -3.978 -3.978 72 2HD LYS 9 1HD LYS 9 -4.052 -4.760 -4.760 73 1HE LYS 9 2HE LYS 9 -2.163 -4.831 -4.831 74 2HE LYS 9 1HE LYS 9 -1.719 -3.957 -3.957 75 1HZ LYS 9 2HZ LYS 9 -2.902 -2.153 -2.153 76 2HZ LYS 9 1HZ LYS 9 -1.643 -2.987 -2.987 77 3HZ LYS 9 3HZ LYS 9 -1.356 -2.114 -2.114 78 H SER 10 H SER 10 -6.671 -4.963 -4.963 79 HA SER 10 HA SER 10 -5.239 -7.087 -7.087 80 1HB SER 10 2HB SER 10 -7.780 -6.951 -6.951 81 2HB SER 10 1HB SER 10 -7.119 -7.598 -7.598 82 HG SER 10 HG SER 10 -7.670 -8.955 -8.955 83 H ARG 11 H ARG 11 -5.216 -5.953 -5.953 84 HA ARG 11 HA ARG 11 -3.374 -8.049 -8.049 85 1HB ARG 11 2HB ARG 11 -5.113 -6.472 -6.472 86 2HB ARG 11 1HB ARG 11 -3.724 -5.427 -5.427 87 1HG ARG 11 2HG ARG 11 -3.601 -6.832 -6.832 88 2HG ARG 11 1HG ARG 11 -2.288 -7.237 -7.237 89 1HD ARG 11 2HD ARG 11 -3.850 -9.143 -9.143 90 2HD ARG 11 1HD ARG 11 -4.879 -8.757 -8.757 91 HE ARG 11 HE ARG 11 -1.962 -9.569 -9.569 92 1HH1 ARG 11 1HH2 ARG 11 -2.378 -8.991 -8.991 93 2HH1 ARG 11 2HH2 ARG 11 -3.293 -10.244 -10.244 94 1HH2 ARG 11 2HH1 ARG 11 -4.298 -11.530 -11.530 95 2HH2 ARG 11 1HH1 ARG 11 -4.466 -11.804 -11.804 96 H CYS 12 H CYS 12 -3.236 -5.044 -5.044 97 HA CYS 12 HA CYS 12 -0.341 -4.626 -4.626 98 1HB CYS 12 2HB CYS 12 -2.348 -2.945 -2.945 99 2HB CYS 12 1HB CYS 12 -0.875 -2.418 -2.418 100 H THR 13 H THR 13 -1.317 -6.789 -6.789 101 HA THR 13 HA THR 13 -1.247 -6.413 -6.413 102 HB THR 13 HB THR 13 -2.274 -8.491 -8.491 103 HG1 THR 13 1HG THR 13 -1.125 -9.874 -9.874 104 1HG2 THR 13 3HG2 THR 13 0.405 -9.091 -9.091 105 2HG2 THR 13 2HG2 THR 13 -0.966 -10.194 -10.194 106 3HG2 THR 13 1HG2 THR 13 -1.102 -8.714 -8.714 107 H ALA 14 H ALA 14 0.443 -7.156 -7.156 108 HA ALA 14 HA ALA 14 2.820 -5.731 -5.731 109 1HB ALA 14 3HB ALA 14 2.446 -8.456 -8.456 110 2HB ALA 14 2HB ALA 14 3.745 -7.322 -7.322 111 3HB ALA 14 1HB ALA 14 2.095 -6.901 -6.901 112 H PHE 15 H PHE 15 1.964 -8.776 -8.776 113 HA PHE 15 HA PHE 15 4.492 -9.765 -9.765 114 1HB PHE 15 2HB PHE 15 1.923 -10.401 -10.401 115 2HB PHE 15 1HB PHE 15 3.287 -11.433 -11.433 116 HD1 PHE 15 2HD PHE 15 3.307 -10.498 -10.498 117 HD2 PHE 15 1HD PHE 15 0.410 -12.107 -12.107 118 HE1 PHE 15 2HE PHE 15 2.101 -11.470 -11.470 119 HE2 PHE 15 1HE PHE 15 -0.796 -13.081 -13.081 120 HZ PHE 15 HZ PHE 15 0.041 -12.770 -12.770 121 H GLN 16 H GLN 16 2.076 -7.815 -7.815 122 HA GLN 16 HA GLN 16 3.809 -7.679 -7.679 123 1HB GLN 16 2HB GLN 16 1.035 -6.533 -6.533 124 2HB GLN 16 1HB GLN 16 1.832 -7.153 -7.153 125 1HG GLN 16 2HG GLN 16 1.858 -9.359 -9.359 126 2HG GLN 16 1HG GLN 16 0.318 -8.603 -8.603 127 1HE2 GLN 16 2HE2 GLN 16 1.077 -10.735 -10.735 128 2HE2 GLN 16 1HE2 GLN 16 2.307 -10.422 -10.422 129 H CYS 17 H CYS 17 2.882 -5.900 -5.900 130 HA CYS 17 HA CYS 17 3.141 -3.203 -3.203 131 1HB CYS 17 2HB CYS 17 2.144 -3.937 -3.937 132 2HB CYS 17 1HB CYS 17 3.747 -4.102 -4.102 133 H LYS 18 H LYS 18 5.295 -5.556 -5.556 134 HA LYS 18 HA LYS 18 7.631 -3.651 -3.651 135 1HB LYS 18 2HB LYS 18 7.318 -4.960 -4.960 136 2HB LYS 18 1HB LYS 18 7.723 -6.411 -6.411 137 1HG LYS 18 2HG LYS 18 9.636 -4.102 -4.102 138 2HG LYS 18 1HG LYS 18 9.544 -4.832 -4.832 139 1HD LYS 18 2HD LYS 18 10.055 -7.082 -7.082 140 2HD LYS 18 1HD LYS 18 10.067 -6.361 -6.361 141 1HE LYS 18 2HE LYS 18 12.369 -6.704 -6.704 142 2HE LYS 18 1HE LYS 18 12.041 -5.015 -5.015 143 1HZ LYS 18 2HZ LYS 18 11.269 -5.531 -5.531 144 2HZ LYS 18 1HZ LYS 18 12.849 -6.155 -6.155 145 3HZ LYS 18 3HZ LYS 18 12.522 -4.526 -4.526 146 H HIS 19 H HIS 19 6.013 -6.205 -6.205 147 HA HIS 19 HA HIS 19 8.322 -6.588 -6.588 148 1HB HIS 19 2HB HIS 19 6.371 -8.717 -8.717 149 2HB HIS 19 1HB HIS 19 7.636 -8.942 -8.942 150 HD1 HIS 19 1HD HIS 19 10.097 -8.304 -8.304 151 HD2 HIS 19 2HD HIS 19 7.240 -9.140 -9.140 152 HE1 HIS 19 1HE HIS 19 11.245 -8.867 -8.867 153 H SER 20 H SER 20 4.820 -6.125 -6.125 154 HA SER 20 HA SER 20 4.927 -6.737 -6.737 155 1HB SER 20 2HB SER 20 2.533 -6.026 -6.026 156 2HB SER 20 1HB SER 20 2.570 -6.806 -6.806 157 HG SER 20 HG SER 20 4.242 -8.101 -8.101 158 H MET 21 H MET 21 6.209 -4.824 -4.824 159 HA MET 21 HA MET 21 5.053 -2.190 -2.190 160 1HB MET 21 2HB MET 21 7.260 -3.325 -3.325 161 2HB MET 21 1HB MET 21 6.867 -1.628 -1.628 162 1HG MET 21 2HG MET 21 8.046 -3.290 -3.290 163 2HG MET 21 1HG MET 21 8.692 -1.875 -1.875 164 1HE MET 21 2HE MET 21 7.175 0.256 0.256 165 2HE MET 21 1HE MET 21 5.526 -0.068 -0.068 166 3HE MET 21 3HE MET 21 6.563 1.007 1.007 167 1HN DNP 22 HN DAP 22 3.034 -2.706 -2.706 168 HA DNP 22 HA DAP 22 2.304 -1.836 -1.836 169 1HB DNP 22 1HB DAP 22 0.869 -3.806 -3.806 170 2HB DNP 22 2HB DAP 22 1.238 -4.553 -4.553 171 1HG DNP 22 1HG DAP 22 3.051 -5.503 -5.503 172 2HG DNP 22 2HG DAP 22 3.661 -4.003 -4.003 173 3HG DNP 22 3HG DAP 22 2.636 -4.860 -4.860 174 H TYR 23 H TYR 23 1.221 -3.521 -3.521 175 HA TYR 23 HA TYR 23 -1.068 -1.718 -1.718 176 1HB TYR 23 2HB TYR 23 -0.071 -3.420 -3.420 177 2HB TYR 23 1HB TYR 23 -1.705 -3.165 -3.165 178 HD1 TYR 23 2HD TYR 23 -1.676 -4.003 -4.003 179 HD2 TYR 23 1HD TYR 23 0.295 -5.773 -5.773 180 HE1 TYR 23 2HE TYR 23 -1.685 -6.166 -6.166 181 HE2 TYR 23 1HE TYR 23 0.305 -7.895 -7.895 182 HH TYR 23 HH TYR 23 0.173 -8.783 -8.783 183 H ARG 24 H ARG 24 1.877 -2.485 -2.485 184 HA ARG 24 HA ARG 24 2.212 -0.291 -0.291 185 1HB ARG 24 2HB ARG 24 3.404 -2.781 -2.781 186 2HB ARG 24 1HB ARG 24 4.651 -1.659 -1.659 187 1HG ARG 24 2HG ARG 24 3.216 -1.803 -1.803 188 2HG ARG 24 1HG ARG 24 4.792 -2.520 -2.520 189 1HD ARG 24 2HD ARG 24 4.054 0.423 0.423 190 2HD ARG 24 1HD ARG 24 5.187 -0.496 -0.496 191 HE ARG 24 HE ARG 24 5.614 0.175 0.175 192 1HH1 ARG 24 2HH1 ARG 24 7.054 -1.974 -1.974 193 2HH1 ARG 24 1HH1 ARG 24 8.581 -1.263 -1.263 194 1HH2 ARG 24 1HH2 ARG 24 7.126 1.969 1.969 195 2HH2 ARG 24 2HH2 ARG 24 8.605 1.255 1.255 196 H LEU 25 H LEU 25 1.977 0.047 0.047 197 HA LEU 25 HA LEU 25 4.256 1.895 1.895 198 1HB LEU 25 2HB LEU 25 3.820 -0.031 -0.031 199 2HB LEU 25 1HB LEU 25 2.298 0.561 0.561 200 HG LEU 25 HG LEU 25 3.224 2.597 2.597 201 1HD1 LEU 25 1HD1 LEU 25 5.965 1.425 1.425 202 2HD1 LEU 25 3HD1 LEU 25 5.668 2.848 2.848 203 3HD1 LEU 25 2HD1 LEU 25 5.279 2.875 2.875 204 1HD2 LEU 25 3HD2 LEU 25 2.967 0.536 0.536 205 2HD2 LEU 25 2HD2 LEU 25 4.339 1.477 1.477 206 3HD2 LEU 25 1HD2 LEU 25 4.600 0.031 0.031 207 H SER 26 H SER 26 1.013 1.737 1.737 208 HA SER 26 HA SER 26 0.519 4.463 4.463 209 1HB SER 26 2HB SER 26 -0.057 3.539 3.539 210 2HB SER 26 1HB SER 26 -0.461 5.135 5.135 211 HG SER 26 HG SER 26 2.094 4.632 4.632 212 H PHE 27 H PHE 27 -0.415 1.535 1.535 213 HA PHE 27 HA PHE 27 -3.346 2.333 2.333 214 1HB PHE 27 2HB PHE 27 -2.546 -0.486 -0.486 215 2HB PHE 27 1HB PHE 27 -4.062 0.155 0.155 216 HD1 PHE 27 1HD PHE 27 -2.401 1.854 1.854 217 HD2 PHE 27 2HD PHE 27 -2.843 -2.216 -2.216 218 HE1 PHE 27 1HE PHE 27 -1.845 1.122 1.122 219 HE2 PHE 27 2HE PHE 27 -2.289 -2.940 -2.940 220 HZ PHE 27 HZ PHE 27 -1.788 -1.284 -1.284 221 H CYS 28 H CYS 28 -1.024 1.168 1.168 222 HA CYS 28 HA CYS 28 -3.248 1.643 1.643 223 1HB CYS 28 2HB CYS 28 -0.741 0.371 0.371 224 2HB CYS 28 1HB CYS 28 -2.399 -0.157 -0.157 225 H ARG 29 H ARG 29 -2.223 3.715 3.715 226 HA ARG 29 HA ARG 29 -0.036 5.185 5.185 227 1HB ARG 29 2HB ARG 29 -2.904 5.891 5.891 228 2HB ARG 29 1HB ARG 29 -1.760 7.030 7.030 229 1HG ARG 29 2HG ARG 29 -2.180 7.859 7.859 230 2HG ARG 29 1HG ARG 29 -0.582 7.154 7.154 231 1HD ARG 29 2HD ARG 29 -1.223 5.262 5.262 232 2HD ARG 29 1HD ARG 29 -2.942 5.608 5.608 233 HE ARG 29 HE ARG 29 -1.001 7.302 7.302 234 1HH1 ARG 29 1HH2 ARG 29 -2.759 9.137 9.137 235 2HH1 ARG 29 2HH2 ARG 29 -4.134 8.632 8.632 236 1HH2 ARG 29 2HH1 ARG 29 -3.244 5.232 5.232 237 2HH2 ARG 29 1HH1 ARG 29 -4.429 6.246 6.246 238 H LYS 30 H LYS 30 -2.652 5.166 5.166 239 HA LYS 30 HA LYS 30 -0.863 6.089 6.089 240 1HB LYS 30 2HB LYS 30 -3.879 5.511 5.511 241 2HB LYS 30 1HB LYS 30 -3.057 6.236 6.236 242 1HG LYS 30 2HG LYS 30 -3.114 7.359 7.359 243 2HG LYS 30 1HG LYS 30 -4.269 7.828 7.828 244 1HD LYS 30 2HD LYS 30 -1.971 8.226 8.226 245 2HD LYS 30 1HD LYS 30 -1.290 8.346 8.346 246 1HE LYS 30 2HE LYS 30 -2.982 10.185 10.185 247 2HE LYS 30 1HE LYS 30 -3.534 10.087 10.087 248 1HZ LYS 30 1HZ LYS 30 -0.761 10.227 10.227 249 2HZ LYS 30 3HZ LYS 30 -1.229 11.432 11.432 250 3HZ LYS 30 2HZ LYS 30 -1.867 11.410 11.410 251 H THR 31 H THR 31 -3.225 3.706 3.706 252 HA THR 31 HA THR 31 -3.275 1.989 1.989 253 HB THR 31 HB THR 31 -2.990 1.445 1.445 254 HG1 THR 31 1HG THR 31 -4.828 2.402 2.402 255 1HG2 THR 31 1HG2 THR 31 -4.150 -0.343 -0.343 256 2HG2 THR 31 3HG2 THR 31 -4.185 -0.594 -0.594 257 3HG2 THR 31 2HG2 THR 31 -2.652 -0.731 -0.731 258 H CYS 32 H CYS 32 -0.546 2.205 2.205 259 HA CYS 32 HA CYS 32 1.019 0.478 0.478 260 1HB CYS 32 2HB CYS 32 0.686 -0.664 -0.664 261 2HB CYS 32 1HB CYS 32 1.323 0.735 0.735 262 H GLY 33 H GLY 33 1.021 3.160 3.160 263 1HA GLY 33 2HA GLY 33 2.032 5.329 5.329 264 2HA GLY 33 1HA GLY 33 3.264 4.402 4.402 265 H THR 34 H THR 34 1.880 4.376 4.376 266 HA THR 34 HA THR 34 4.583 3.828 3.828 267 HB THR 34 HB THR 34 3.446 3.304 3.304 268 HG1 THR 34 1HG THR 34 2.016 4.589 4.589 269 1HG2 THR 34 2HG2 THR 34 2.650 1.757 1.757 270 2HG2 THR 34 1HG2 THR 34 1.294 2.820 2.820 271 3HG2 THR 34 3HG2 THR 34 1.427 1.961 1.961 272 H CYS 35 HN CYS 35 2.365 6.576 6.576 273 HA CYS 35 HA CYS 35 4.352 8.298 8.298 274 1HB CYS 35 2HB CYS 35 2.412 9.651 9.651 275 2HB CYS 35 1HB CYS 35 2.288 8.122 8.122 Start of MODEL 14 1 1H ARG 1 2H ARG 1 0.767 14.594 14.594 2 2H ARG 1 1H ARG 1 2.165 14.193 14.193 3 3H ARG 1 3H ARG 1 1.825 15.825 15.825 4 HA ARG 1 HA ARG 1 0.610 16.044 16.044 5 1HB ARG 1 2HB ARG 1 1.389 13.091 13.091 6 2HB ARG 1 1HB ARG 1 0.370 13.833 13.833 7 1HG ARG 1 2HG ARG 1 3.055 15.130 15.130 8 2HG ARG 1 1HG ARG 1 2.994 13.700 13.700 9 1HD ARG 1 2HD ARG 1 1.361 14.886 14.886 10 2HD ARG 1 1HD ARG 1 1.535 16.353 16.353 11 HE ARG 1 HE ARG 1 3.874 15.033 15.033 12 1HH1 ARG 1 1HH1 ARG 1 4.526 17.245 17.245 13 2HH1 ARG 1 2HH1 ARG 1 4.538 18.633 18.633 14 1HH2 ARG 1 1HH2 ARG 1 2.633 16.837 16.837 15 2HH2 ARG 1 2HH2 ARG 1 3.354 18.378 18.378 16 H SER 2 H SER 2 -1.473 14.921 14.921 17 HA SER 2 HA SER 2 -3.300 14.059 14.059 18 1HB SER 2 2HB SER 2 -4.106 15.443 15.443 19 2HB SER 2 1HB SER 2 -5.087 15.215 15.215 20 HG SER 2 HG SER 2 -4.267 17.092 17.092 21 H CYS 3 H CYS 3 -2.778 11.776 11.776 22 HA CYS 3 HA CYS 3 -3.762 10.737 10.737 23 1HB CYS 3 2HB CYS 3 -1.961 9.141 9.141 24 2HB CYS 3 1HB CYS 3 -1.241 10.720 10.720 25 H ILE 4 H ILE 4 -4.599 8.616 8.616 26 HA ILE 4 HA ILE 4 -5.286 7.953 7.953 27 HB ILE 4 HB ILE 4 -7.694 7.576 7.576 28 1HG1 ILE 4 2HG1 ILE 4 -8.180 9.305 9.305 29 2HG1 ILE 4 1HG1 ILE 4 -6.526 9.041 9.041 30 1HG2 ILE 4 3HG2 ILE 4 -7.143 9.468 9.468 31 2HG2 ILE 4 2HG2 ILE 4 -6.683 10.446 10.446 32 3HG2 ILE 4 1HG2 ILE 4 -8.351 9.941 9.941 33 1HD1 ILE 4 3HD1 ILE 4 -8.583 6.815 6.815 34 2HD1 ILE 4 2HD1 ILE 4 -8.025 7.464 7.464 35 3HD1 ILE 4 1HD1 ILE 4 -6.930 6.562 6.562 36 H ASP 5 H ASP 5 -6.077 5.876 5.876 37 HA ASP 5 HA ASP 5 -4.772 3.818 3.818 38 1HB ASP 5 2HB ASP 5 -6.803 2.946 2.946 39 2HB ASP 5 1HB ASP 5 -5.131 2.468 2.468 40 H THR 6 H THR 6 -6.034 2.181 2.181 41 HA THR 6 HA THR 6 -8.950 2.569 2.569 42 HB THR 6 HB THR 6 -7.758 4.185 4.185 43 HG1 THR 6 1HG THR 6 -9.486 3.756 3.756 44 1HG2 THR 6 1HG2 THR 6 -6.839 1.603 1.603 45 2HG2 THR 6 3HG2 THR 6 -6.608 3.229 3.229 46 3HG2 THR 6 2HG2 THR 6 -5.759 2.717 2.717 47 H ILE 7 H ILE 7 -7.065 0.776 0.776 48 HA ILE 7 HA ILE 7 -7.802 -1.739 -1.739 49 HB ILE 7 HB ILE 7 -5.490 -0.965 -0.965 50 1HG1 ILE 7 2HG1 ILE 7 -4.128 -2.913 -2.913 51 2HG1 ILE 7 1HG1 ILE 7 -5.555 -3.414 -3.414 52 1HG2 ILE 7 1HG2 ILE 7 -5.098 0.210 0.210 53 2HG2 ILE 7 3HG2 ILE 7 -4.923 -1.332 -1.332 54 3HG2 ILE 7 2HG2 ILE 7 -3.793 -0.850 -0.850 55 1HD1 ILE 7 2HD1 ILE 7 -6.788 -3.598 -3.598 56 2HD1 ILE 7 1HD1 ILE 7 -5.325 -3.072 -3.072 57 3HD1 ILE 7 3HD1 ILE 7 -5.359 -4.618 -4.618 58 HA PRO 8 HA PRO 8 -8.493 -3.037 -3.037 59 1HB PRO 8 2HB PRO 8 -8.117 -5.707 -5.707 60 2HB PRO 8 1HB PRO 8 -9.605 -4.965 -4.965 61 1HG PRO 8 2HG PRO 8 -6.988 -5.432 -5.432 62 2HG PRO 8 1HG PRO 8 -8.583 -6.099 -6.099 63 1HD PRO 8 2HD PRO 8 -7.963 -3.844 -3.844 64 2HD PRO 8 1HD PRO 8 -9.520 -3.850 -3.850 65 H LYS 9 H LYS 9 -7.096 -2.807 -2.807 66 HA LYS 9 HA LYS 9 -4.304 -2.592 -2.592 67 1HB LYS 9 2HB LYS 9 -5.624 -1.817 -1.817 68 2HB LYS 9 1HB LYS 9 -5.772 -3.488 -3.488 69 1HG LYS 9 2HG LYS 9 -3.011 -2.523 -2.523 70 2HG LYS 9 1HG LYS 9 -3.758 -1.921 -1.921 71 1HD LYS 9 2HD LYS 9 -3.948 -4.297 -4.297 72 2HD LYS 9 1HD LYS 9 -3.326 -4.879 -4.879 73 1HE LYS 9 2HE LYS 9 -1.447 -4.741 -4.741 74 2HE LYS 9 1HE LYS 9 -1.204 -3.620 -3.620 75 1HZ LYS 9 3HZ LYS 9 -2.720 -2.310 -2.310 76 2HZ LYS 9 2HZ LYS 9 -1.380 -3.001 -3.001 77 3HZ LYS 9 1HZ LYS 9 -1.169 -1.944 -1.944 78 H SER 10 H SER 10 -6.392 -5.125 -5.125 79 HA SER 10 HA SER 10 -4.901 -7.224 -7.224 80 1HB SER 10 2HB SER 10 -6.828 -7.791 -7.791 81 2HB SER 10 1HB SER 10 -6.827 -8.480 -8.480 82 HG SER 10 HG SER 10 -8.171 -6.976 -6.976 83 H ARG 11 H ARG 11 -5.037 -5.850 -5.850 84 HA ARG 11 HA ARG 11 -3.351 -7.978 -7.978 85 1HB ARG 11 2HB ARG 11 -5.061 -6.306 -6.306 86 2HB ARG 11 1HB ARG 11 -3.691 -5.207 -5.207 87 1HG ARG 11 2HG ARG 11 -3.621 -6.353 -6.353 88 2HG ARG 11 1HG ARG 11 -2.306 -6.919 -6.919 89 1HD ARG 11 2HD ARG 11 -3.603 -8.920 -8.920 90 2HD ARG 11 1HD ARG 11 -4.941 -8.369 -8.369 91 HE ARG 11 HE ARG 11 -2.200 -8.892 -8.892 92 1HH1 ARG 11 2HH1 ARG 11 -4.470 -7.924 -7.924 93 2HH1 ARG 11 1HH1 ARG 11 -5.037 -9.324 -9.324 94 1HH2 ARG 11 1HH2 ARG 11 -3.300 -11.354 -11.354 95 2HH2 ARG 11 2HH2 ARG 11 -4.283 -11.490 -11.490 96 H CYS 12 H CYS 12 -3.042 -4.894 -4.894 97 HA CYS 12 HA CYS 12 -0.063 -4.948 -4.948 98 1HB CYS 12 2HB CYS 12 -2.047 -2.811 -2.811 99 2HB CYS 12 1HB CYS 12 -0.603 -2.611 -2.611 100 H THR 13 H THR 13 -1.228 -6.888 -6.888 101 HA THR 13 HA THR 13 -1.285 -6.451 -6.451 102 HB THR 13 HB THR 13 -2.243 -8.561 -8.561 103 HG1 THR 13 1HG THR 13 -0.307 -9.962 -9.962 104 1HG2 THR 13 3HG2 THR 13 0.492 -9.212 -9.212 105 2HG2 THR 13 2HG2 THR 13 -0.915 -10.274 -10.274 106 3HG2 THR 13 1HG2 THR 13 -0.995 -8.801 -8.801 107 H ALA 14 H ALA 14 0.428 -7.438 -7.438 108 HA ALA 14 HA ALA 14 2.814 -5.927 -5.927 109 1HB ALA 14 2HB ALA 14 2.427 -8.477 -8.477 110 2HB ALA 14 1HB ALA 14 3.755 -7.334 -7.334 111 3HB ALA 14 3HB ALA 14 2.117 -6.845 -6.845 112 H PHE 15 H PHE 15 1.862 -8.850 -8.850 113 HA PHE 15 HA PHE 15 4.617 -9.727 -9.727 114 1HB PHE 15 2HB PHE 15 2.337 -11.008 -11.008 115 2HB PHE 15 1HB PHE 15 3.691 -11.739 -11.739 116 HD1 PHE 15 1HD PHE 15 3.458 -10.715 -10.715 117 HD2 PHE 15 2HD PHE 15 0.400 -12.017 -12.017 118 HE1 PHE 15 1HE PHE 15 2.008 -11.260 -11.260 119 HE2 PHE 15 2HE PHE 15 -1.037 -12.555 -12.555 120 HZ PHE 15 HZ PHE 15 -0.238 -12.174 -12.174 121 H GLN 16 H GLN 16 2.131 -7.874 -7.874 122 HA GLN 16 HA GLN 16 3.679 -8.011 -8.011 123 1HB GLN 16 2HB GLN 16 1.000 -6.720 -6.720 124 2HB GLN 16 1HB GLN 16 1.644 -7.269 -7.269 125 1HG GLN 16 2HG GLN 16 1.557 -9.513 -9.513 126 2HG GLN 16 1HG GLN 16 0.071 -8.674 -8.674 127 1HE2 GLN 16 2HE2 GLN 16 1.773 -10.728 -10.728 128 2HE2 GLN 16 1HE2 GLN 16 2.743 -10.225 -10.225 129 H CYS 17 H CYS 17 2.663 -5.937 -5.937 130 HA CYS 17 HA CYS 17 3.334 -3.392 -3.392 131 1HB CYS 17 2HB CYS 17 2.340 -3.943 -3.943 132 2HB CYS 17 1HB CYS 17 4.011 -3.980 -3.980 133 H LYS 18 H LYS 18 5.239 -5.991 -5.991 134 HA LYS 18 HA LYS 18 7.807 -4.547 -4.547 135 1HB LYS 18 2HB LYS 18 7.459 -6.165 -6.165 136 2HB LYS 18 1HB LYS 18 7.437 -7.471 -7.471 137 1HG LYS 18 2HG LYS 18 9.673 -6.841 -6.841 138 2HG LYS 18 1HG LYS 18 9.701 -5.415 -5.415 139 1HD LYS 18 2HD LYS 18 9.655 -6.916 -6.916 140 2HD LYS 18 1HD LYS 18 9.742 -8.306 -8.306 141 1HE LYS 18 2HE LYS 18 11.859 -7.419 -7.419 142 2HE LYS 18 1HE LYS 18 11.766 -6.003 -6.003 143 1HZ LYS 18 1HZ LYS 18 11.615 -8.312 -8.312 144 2HZ LYS 18 3HZ LYS 18 12.949 -8.456 -8.456 145 3HZ LYS 18 2HZ LYS 18 12.817 -7.112 -7.112 146 H HIS 19 H HIS 19 6.281 -7.434 -7.434 147 HA HIS 19 HA HIS 19 8.346 -7.239 -7.239 148 1HB HIS 19 2HB HIS 19 6.533 -9.565 -9.565 149 2HB HIS 19 1HB HIS 19 7.836 -9.595 -9.595 150 HD1 HIS 19 1HD HIS 19 10.264 -9.315 -9.315 151 HD2 HIS 19 2HD HIS 19 7.315 -9.758 -9.758 152 HE1 HIS 19 1HE HIS 19 11.340 -9.838 -9.838 153 H SER 20 H SER 20 5.491 -5.889 -5.889 154 HA SER 20 HA SER 20 4.861 -6.480 -6.480 155 1HB SER 20 2HB SER 20 2.766 -5.934 -5.934 156 2HB SER 20 1HB SER 20 2.511 -6.492 -6.492 157 HG SER 20 HG SER 20 2.851 -8.462 -8.462 158 H MET 21 H MET 21 6.164 -4.550 -4.550 159 HA MET 21 HA MET 21 5.312 -1.941 -1.941 160 1HB MET 21 2HB MET 21 7.521 -2.743 -2.743 161 2HB MET 21 1HB MET 21 6.545 -2.477 -2.477 162 1HG MET 21 2HG MET 21 7.807 -0.498 -0.498 163 2HG MET 21 1HG MET 21 6.172 -0.111 -0.111 164 1HE MET 21 1HE MET 21 5.285 0.275 0.275 165 2HE MET 21 3HE MET 21 6.277 1.022 1.022 166 3HE MET 21 2HE MET 21 6.158 1.791 1.791 167 1HN DNP 22 HN DAP 22 4.180 -4.056 -4.056 168 HA DNP 22 HA DAP 22 2.650 -2.129 -2.129 169 1HB DNP 22 1HB DAP 22 1.255 -3.956 -3.956 170 2HB DNP 22 2HB DAP 22 1.725 -4.981 -4.981 171 1HG DNP 22 1HG DAP 22 4.057 -4.092 -4.092 172 2HG DNP 22 2HG DAP 22 2.984 -4.733 -4.733 173 3HG DNP 22 3HG DAP 22 3.484 -5.684 -5.684 174 H TYR 23 H TYR 23 2.016 -3.307 -3.307 175 HA TYR 23 HA TYR 23 -0.698 -2.074 -2.074 176 1HB TYR 23 2HB TYR 23 0.325 -3.740 -3.740 177 2HB TYR 23 1HB TYR 23 -1.332 -3.318 -3.318 178 HD1 TYR 23 1HD TYR 23 -1.694 -4.013 -4.013 179 HD2 TYR 23 2HD TYR 23 0.485 -6.011 -6.011 180 HE1 TYR 23 1HE TYR 23 -1.983 -6.138 -6.138 181 HE2 TYR 23 2HE TYR 23 0.220 -8.124 -8.124 182 HH TYR 23 HH TYR 23 -0.363 -8.599 -8.599 183 H ARG 24 H ARG 24 2.043 -2.335 -2.335 184 HA ARG 24 HA ARG 24 1.555 -0.289 -0.289 185 1HB ARG 24 2HB ARG 24 3.213 -1.990 -1.990 186 2HB ARG 24 1HB ARG 24 4.123 -1.351 -1.351 187 1HG ARG 24 2HG ARG 24 4.725 0.462 0.462 188 2HG ARG 24 1HG ARG 24 3.283 0.579 0.579 189 1HD ARG 24 2HD ARG 24 4.431 -0.223 -0.223 190 2HD ARG 24 1HD ARG 24 4.528 -1.723 -1.723 191 HE ARG 24 HE ARG 24 6.623 -0.279 -0.279 192 1HH1 ARG 24 1HH2 ARG 24 6.488 1.194 1.194 193 2HH1 ARG 24 2HH2 ARG 24 7.574 0.324 0.324 194 1HH2 ARG 24 2HH1 ARG 24 7.487 -2.429 -2.429 195 2HH2 ARG 24 1HH1 ARG 24 8.288 -1.905 -1.905 196 H LEU 25 H LEU 25 2.857 -0.054 -0.054 197 HA LEU 25 HA LEU 25 4.045 2.488 2.488 198 1HB LEU 25 2HB LEU 25 4.352 0.891 0.891 199 2HB LEU 25 1HB LEU 25 2.795 0.962 0.962 200 HG LEU 25 HG LEU 25 3.147 3.396 3.396 201 1HD1 LEU 25 1HD1 LEU 25 6.036 2.842 2.842 202 2HD1 LEU 25 3HD1 LEU 25 5.481 4.277 4.277 203 3HD1 LEU 25 2HD1 LEU 25 4.935 3.960 3.960 204 1HD2 LEU 25 1HD2 LEU 25 5.181 1.421 1.421 205 2HD2 LEU 25 3HD2 LEU 25 3.506 1.579 1.579 206 3HD2 LEU 25 2HD2 LEU 25 4.645 2.888 2.888 207 H SER 26 H SER 26 1.261 1.887 1.887 208 HA SER 26 HA SER 26 0.147 4.501 4.501 209 1HB SER 26 2HB SER 26 -0.719 4.600 4.600 210 2HB SER 26 1HB SER 26 1.007 4.926 4.926 211 HG SER 26 HG SER 26 -0.113 2.861 2.861 212 H PHE 27 H PHE 27 -0.433 1.335 1.335 213 HA PHE 27 HA PHE 27 -3.374 1.792 1.792 214 1HB PHE 27 2HB PHE 27 -2.075 -0.747 -0.747 215 2HB PHE 27 1HB PHE 27 -3.733 -0.544 -0.544 216 HD1 PHE 27 2HD PHE 27 -1.467 1.202 1.202 217 HD2 PHE 27 1HD PHE 27 -3.327 -2.523 -2.523 218 HE1 PHE 27 2HE PHE 27 -1.039 0.421 0.421 219 HE2 PHE 27 1HE PHE 27 -2.893 -3.295 -3.295 220 HZ PHE 27 HZ PHE 27 -1.745 -1.820 -1.820 221 H CYS 28 H CYS 28 -1.285 0.899 0.899 222 HA CYS 28 HA CYS 28 -3.476 1.520 1.520 223 1HB CYS 28 2HB CYS 28 -1.091 0.152 0.152 224 2HB CYS 28 1HB CYS 28 -2.791 -0.191 -0.191 225 H ARG 29 H ARG 29 -2.140 3.466 3.466 226 HA ARG 29 HA ARG 29 0.129 4.700 4.700 227 1HB ARG 29 2HB ARG 29 -2.687 5.611 5.611 228 2HB ARG 29 1HB ARG 29 -1.471 6.819 6.819 229 1HG ARG 29 2HG ARG 29 -0.231 5.842 5.842 230 2HG ARG 29 1HG ARG 29 -1.513 4.668 4.668 231 1HD ARG 29 2HD ARG 29 -2.631 5.984 5.984 232 2HD ARG 29 1HD ARG 29 -2.771 7.208 7.208 233 HE ARG 29 HE ARG 29 -0.496 8.056 8.056 234 1HH1 ARG 29 1HH2 ARG 29 -2.946 7.496 7.496 235 2HH1 ARG 29 2HH2 ARG 29 -2.093 7.442 7.442 236 1HH2 ARG 29 2HH1 ARG 29 1.036 7.369 7.369 237 2HH2 ARG 29 1HH1 ARG 29 0.364 7.398 7.398 238 H LYS 30 H LYS 30 -2.541 5.259 5.259 239 HA LYS 30 HA LYS 30 -0.509 6.209 6.209 240 1HB LYS 30 2HB LYS 30 -3.508 5.855 5.855 241 2HB LYS 30 1HB LYS 30 -2.393 6.867 6.867 242 1HG LYS 30 2HG LYS 30 -1.993 7.838 7.838 243 2HG LYS 30 1HG LYS 30 -3.668 7.320 7.320 244 1HD LYS 30 2HD LYS 30 -4.268 8.736 8.736 245 2HD LYS 30 1HD LYS 30 -2.574 9.148 9.148 246 1HE LYS 30 2HE LYS 30 -2.590 9.989 9.989 247 2HE LYS 30 1HE LYS 30 -4.346 9.890 9.890 248 1HZ LYS 30 3HZ LYS 30 -3.437 11.233 11.233 249 2HZ LYS 30 2HZ LYS 30 -2.588 11.908 11.908 250 3HZ LYS 30 1HZ LYS 30 -4.288 11.900 11.900 251 H THR 31 H THR 31 -2.985 3.843 3.843 252 HA THR 31 HA THR 31 -2.994 2.192 2.192 253 HB THR 31 HB THR 31 -2.815 1.418 1.418 254 HG1 THR 31 1HG THR 31 -4.656 2.518 2.518 255 1HG2 THR 31 1HG2 THR 31 -3.907 -0.171 -0.171 256 2HG2 THR 31 3HG2 THR 31 -3.975 -0.615 -0.615 257 3HG2 THR 31 2HG2 THR 31 -2.427 -0.626 -0.626 258 H CYS 32 H CYS 32 -0.247 2.492 2.492 259 HA CYS 32 HA CYS 32 1.230 0.493 0.493 260 1HB CYS 32 2HB CYS 32 1.241 1.089 1.089 261 2HB CYS 32 1HB CYS 32 2.823 1.031 1.031 262 H GLY 33 H GLY 33 1.346 3.556 3.556 263 1HA GLY 33 2HA GLY 33 2.114 5.551 5.551 264 2HA GLY 33 1HA GLY 33 3.286 4.526 4.526 265 H THR 34 H THR 34 2.411 5.068 5.068 266 HA THR 34 HA THR 34 5.305 5.411 5.411 267 HB THR 34 HB THR 34 4.198 5.052 5.052 268 HG1 THR 34 1HG THR 34 2.378 3.558 3.558 269 1HG2 THR 34 3HG2 THR 34 5.742 3.401 3.401 270 2HG2 THR 34 2HG2 THR 34 4.292 2.813 2.813 271 3HG2 THR 34 1HG2 THR 34 4.492 2.608 2.608 272 H CYS 35 HN CYS 35 2.174 7.103 7.103 273 HA CYS 35 HA CYS 35 3.884 9.359 9.359 274 1HB CYS 35 2HB CYS 35 1.894 9.950 9.950 275 2HB CYS 35 1HB CYS 35 2.648 8.499 8.499 Start of MODEL 15 1 1H ARG 1 3H ARG 1 1.620 14.689 14.689 2 2H ARG 1 2H ARG 1 2.142 15.348 15.348 3 3H ARG 1 1H ARG 1 2.175 16.290 16.290 4 HA ARG 1 HA ARG 1 0.083 16.971 16.971 5 1HB ARG 1 2HB ARG 1 0.800 16.288 16.288 6 2HB ARG 1 1HB ARG 1 -0.361 15.002 15.002 7 1HG ARG 1 2HG ARG 1 -2.122 16.767 16.767 8 2HG ARG 1 1HG ARG 1 -0.931 18.007 18.007 9 1HD ARG 1 2HD ARG 1 -0.720 17.059 17.059 10 2HD ARG 1 1HD ARG 1 -2.006 15.918 15.918 11 HE ARG 1 HE ARG 1 -2.390 18.902 18.902 12 1HH1 ARG 1 1HH1 ARG 1 -4.604 17.742 17.742 13 2HH1 ARG 1 2HH1 ARG 1 -5.699 17.313 17.313 14 1HH2 ARG 1 1HH2 ARG 1 -3.077 17.514 17.514 15 2HH2 ARG 1 2HH2 ARG 1 -4.760 17.193 17.193 16 H SER 2 H SER 2 -2.357 15.837 15.837 17 HA SER 2 HA SER 2 -2.354 13.834 13.834 18 1HB SER 2 2HB SER 2 -4.825 14.371 14.371 19 2HB SER 2 1HB SER 2 -4.655 14.388 14.388 20 HG SER 2 HG SER 2 -4.407 16.481 16.481 21 H CYS 3 H CYS 3 -3.233 11.646 11.646 22 HA CYS 3 HA CYS 3 -3.456 10.622 10.622 23 1HB CYS 3 2HB CYS 3 -1.696 8.959 8.959 24 2HB CYS 3 1HB CYS 3 -0.999 10.524 10.524 25 H ILE 4 H ILE 4 -4.497 8.523 8.523 26 HA ILE 4 HA ILE 4 -5.654 7.947 7.947 27 HB ILE 4 HB ILE 4 -7.903 7.723 7.723 28 1HG1 ILE 4 2HG1 ILE 4 -7.980 9.087 9.087 29 2HG1 ILE 4 1HG1 ILE 4 -6.373 8.416 8.416 30 1HG2 ILE 4 3HG2 ILE 4 -7.339 9.865 9.865 31 2HG2 ILE 4 2HG2 ILE 4 -6.675 10.474 10.474 32 3HG2 ILE 4 1HG2 ILE 4 -8.390 10.134 10.134 33 1HD1 ILE 4 1HD1 ILE 4 -8.863 6.755 6.755 34 2HD1 ILE 4 3HD1 ILE 4 -8.069 6.911 6.911 35 3HD1 ILE 4 2HD1 ILE 4 -7.257 6.107 6.107 36 H ASP 5 H ASP 5 -6.149 5.812 5.812 37 HA ASP 5 HA ASP 5 -4.783 3.908 3.908 38 1HB ASP 5 2HB ASP 5 -6.687 3.257 3.257 39 2HB ASP 5 1HB ASP 5 -5.388 2.266 2.266 40 H THR 6 H THR 6 -5.987 2.152 2.152 41 HA THR 6 HA THR 6 -8.922 2.345 2.345 42 HB THR 6 HB THR 6 -8.106 3.938 3.938 43 HG1 THR 6 1HG THR 6 -8.981 1.384 1.384 44 1HG2 THR 6 3HG2 THR 6 -6.531 1.564 1.564 45 2HG2 THR 6 2HG2 THR 6 -6.658 3.167 3.167 46 3HG2 THR 6 1HG2 THR 6 -5.786 2.943 2.943 47 H ILE 7 H ILE 7 -6.959 0.762 0.762 48 HA ILE 7 HA ILE 7 -7.342 -1.809 -1.809 49 HB ILE 7 HB ILE 7 -4.987 -0.694 -0.694 50 1HG1 ILE 7 2HG1 ILE 7 -3.710 -2.715 -2.715 51 2HG1 ILE 7 1HG1 ILE 7 -5.209 -3.429 -3.429 52 1HG2 ILE 7 1HG2 ILE 7 -5.113 0.163 0.163 53 2HG2 ILE 7 3HG2 ILE 7 -5.043 -1.493 -1.493 54 3HG2 ILE 7 2HG2 ILE 7 -3.700 -0.817 -0.817 55 1HD1 ILE 7 2HD1 ILE 7 -6.072 -3.256 -3.256 56 2HD1 ILE 7 1HD1 ILE 7 -4.529 -2.573 -2.573 57 3HD1 ILE 7 3HD1 ILE 7 -4.616 -4.230 -4.230 58 HA PRO 8 HA PRO 8 -8.590 -3.143 -3.143 59 1HB PRO 8 2HB PRO 8 -8.236 -5.806 -5.806 60 2HB PRO 8 1HB PRO 8 -9.629 -5.042 -5.042 61 1HG PRO 8 2HG PRO 8 -6.871 -5.578 -5.578 62 2HG PRO 8 1HG PRO 8 -8.435 -6.159 -6.159 63 1HD PRO 8 2HD PRO 8 -7.486 -3.913 -3.913 64 2HD PRO 8 1HD PRO 8 -9.191 -3.915 -3.915 65 H LYS 9 H LYS 9 -7.191 -2.614 -2.614 66 HA LYS 9 HA LYS 9 -4.400 -2.552 -2.552 67 1HB LYS 9 2HB LYS 9 -5.779 -1.560 -1.560 68 2HB LYS 9 1HB LYS 9 -6.059 -3.161 -3.161 69 1HG LYS 9 2HG LYS 9 -3.203 -2.384 -2.384 70 2HG LYS 9 1HG LYS 9 -4.029 -1.640 -1.640 71 1HD LYS 9 2HD LYS 9 -4.371 -3.804 -3.804 72 2HD LYS 9 1HD LYS 9 -3.839 -4.648 -4.648 73 1HE LYS 9 2HE LYS 9 -1.940 -4.527 -4.527 74 2HE LYS 9 1HE LYS 9 -1.567 -3.609 -3.609 75 1HZ LYS 9 3HZ LYS 9 -2.907 -1.896 -1.896 76 2HZ LYS 9 2HZ LYS 9 -1.637 -2.658 -2.658 77 3HZ LYS 9 1HZ LYS 9 -1.337 -1.776 -1.776 78 H SER 10 H SER 10 -6.625 -4.985 -4.985 79 HA SER 10 HA SER 10 -5.305 -7.041 -7.041 80 1HB SER 10 2HB SER 10 -7.036 -7.721 -7.721 81 2HB SER 10 1HB SER 10 -7.212 -8.307 -8.307 82 HG SER 10 HG SER 10 -8.706 -6.756 -6.756 83 H ARG 11 H ARG 11 -5.170 -6.034 -6.034 84 HA ARG 11 HA ARG 11 -3.355 -8.142 -8.142 85 1HB ARG 11 2HB ARG 11 -5.100 -6.503 -6.503 86 2HB ARG 11 1HB ARG 11 -3.667 -5.522 -5.522 87 1HG ARG 11 2HG ARG 11 -3.703 -6.875 -6.875 88 2HG ARG 11 1HG ARG 11 -2.421 -7.486 -7.486 89 1HD ARG 11 2HD ARG 11 -4.092 -9.235 -9.235 90 2HD ARG 11 1HD ARG 11 -5.200 -8.711 -8.711 91 HE ARG 11 HE ARG 11 -2.431 -9.785 -9.785 92 1HH1 ARG 11 2HH1 ARG 11 -4.103 -8.415 -8.415 93 2HH1 ARG 11 1HH1 ARG 11 -4.710 -9.746 -9.746 94 1HH2 ARG 11 1HH2 ARG 11 -3.884 -11.951 -11.951 95 2HH2 ARG 11 2HH2 ARG 11 -4.564 -11.952 -11.952 96 H CYS 12 H CYS 12 -3.244 -4.955 -4.955 97 HA CYS 12 HA CYS 12 -0.372 -4.575 -4.575 98 1HB CYS 12 2HB CYS 12 -2.320 -2.873 -2.873 99 2HB CYS 12 1HB CYS 12 -0.888 -2.344 -2.344 100 H THR 13 H THR 13 -1.028 -6.760 -6.760 101 HA THR 13 HA THR 13 -0.673 -6.206 -6.206 102 HB THR 13 HB THR 13 -1.885 -8.277 -8.277 103 HG1 THR 13 1HG THR 13 -0.061 -9.775 -9.775 104 1HG2 THR 13 3HG2 THR 13 0.478 -9.013 -9.013 105 2HG2 THR 13 2HG2 THR 13 -0.914 -10.044 -10.044 106 3HG2 THR 13 1HG2 THR 13 -1.121 -8.587 -8.587 107 H ALA 14 H ALA 14 1.249 -6.802 -6.802 108 HA ALA 14 HA ALA 14 3.589 -5.671 -5.671 109 1HB ALA 14 1HB ALA 14 3.344 -6.412 -6.412 110 2HB ALA 14 3HB ALA 14 3.435 -8.089 -8.089 111 3HB ALA 14 2HB ALA 14 4.826 -7.035 -7.035 112 H PHE 15 H PHE 15 2.389 -8.762 -8.762 113 HA PHE 15 HA PHE 15 4.534 -10.239 -10.239 114 1HB PHE 15 2HB PHE 15 1.768 -10.544 -10.544 115 2HB PHE 15 1HB PHE 15 2.935 -11.762 -11.762 116 HD1 PHE 15 2HD PHE 15 3.189 -10.350 -10.350 117 HD2 PHE 15 1HD PHE 15 0.090 -12.024 -12.024 118 HE1 PHE 15 2HE PHE 15 1.893 -10.864 -10.864 119 HE2 PHE 15 1HE PHE 15 -1.193 -12.538 -12.538 120 HZ PHE 15 HZ PHE 15 -0.300 -11.959 -11.959 121 H GLN 16 H GLN 16 2.235 -8.136 -8.136 122 HA GLN 16 HA GLN 16 3.660 -8.153 -8.153 123 1HB GLN 16 2HB GLN 16 1.063 -6.717 -6.717 124 2HB GLN 16 1HB GLN 16 1.565 -7.201 -7.201 125 1HG GLN 16 2HG GLN 16 1.452 -9.583 -9.583 126 2HG GLN 16 1HG GLN 16 -0.076 -8.781 -8.781 127 1HE2 GLN 16 2HE2 GLN 16 1.493 -10.190 -10.190 128 2HE2 GLN 16 1HE2 GLN 16 2.581 -9.556 -9.556 129 H CYS 17 H CYS 17 2.327 -5.801 -5.801 130 HA CYS 17 HA CYS 17 3.355 -3.382 -3.382 131 1HB CYS 17 2HB CYS 17 2.166 -4.201 -4.201 132 2HB CYS 17 1HB CYS 17 3.790 -4.129 -4.129 133 H LYS 18 H LYS 18 5.191 -6.089 -6.089 134 HA LYS 18 HA LYS 18 7.717 -4.486 -4.486 135 1HB LYS 18 2HB LYS 18 7.044 -6.161 -6.161 136 2HB LYS 18 1HB LYS 18 7.528 -7.417 -7.417 137 1HG LYS 18 2HG LYS 18 9.794 -6.375 -6.375 138 2HG LYS 18 1HG LYS 18 9.297 -5.059 -5.059 139 1HD LYS 18 2HD LYS 18 8.760 -6.858 -6.858 140 2HD LYS 18 1HD LYS 18 9.599 -8.007 -8.007 141 1HE LYS 18 2HE LYS 18 10.790 -5.453 -5.453 142 2HE LYS 18 1HE LYS 18 11.060 -7.081 -7.081 143 1HZ LYS 18 1HZ LYS 18 11.732 -7.030 -7.030 144 2HZ LYS 18 3HZ LYS 18 12.475 -5.699 -5.699 145 3HZ LYS 18 2HZ LYS 18 12.761 -7.256 -7.256 146 H HIS 19 H HIS 19 6.220 -7.417 -7.417 147 HA HIS 19 HA HIS 19 8.358 -7.242 -7.242 148 1HB HIS 19 2HB HIS 19 6.780 -9.676 -9.676 149 2HB HIS 19 1HB HIS 19 7.981 -9.703 -9.703 150 HD1 HIS 19 1HD HIS 19 10.451 -9.274 -9.274 151 HD2 HIS 19 2HD HIS 19 7.766 -9.626 -9.626 152 HE1 HIS 19 1HE HIS 19 11.718 -9.612 -9.612 153 H SER 20 H SER 20 5.870 -5.755 -5.755 154 HA SER 20 HA SER 20 4.938 -6.542 -6.542 155 1HB SER 20 2HB SER 20 3.061 -6.227 -6.227 156 2HB SER 20 1HB SER 20 2.557 -6.472 -6.472 157 HG SER 20 HG SER 20 4.421 -8.316 -8.316 158 H MET 21 H MET 21 6.150 -4.408 -4.408 159 HA MET 21 HA MET 21 4.961 -1.942 -1.942 160 1HB MET 21 2HB MET 21 6.200 -0.898 -0.898 161 2HB MET 21 1HB MET 21 7.231 -2.031 -2.031 162 1HG MET 21 2HG MET 21 7.645 -3.045 -3.045 163 2HG MET 21 1HG MET 21 5.980 -3.515 -3.515 164 1HE MET 21 3HE MET 21 4.239 -2.316 -2.316 165 2HE MET 21 2HE MET 21 4.513 -0.726 -0.726 166 3HE MET 21 1HE MET 21 4.365 -0.896 -0.896 167 1HN DNP 22 HN DAP 22 3.875 -4.282 -4.282 168 HA DNP 22 HA DAP 22 2.241 -2.498 -2.498 169 1HB DNP 22 1HB DAP 22 2.536 -4.918 -4.918 170 2HB DNP 22 2HB DAP 22 0.847 -4.446 -4.446 171 1HG DNP 22 1HG DAP 22 1.475 -5.323 -5.323 172 2HG DNP 22 2HG DAP 22 2.200 -6.466 -6.466 173 3HG DNP 22 3HG DAP 22 0.549 -6.129 -6.129 174 H TYR 23 H TYR 23 1.874 -2.975 -2.975 175 HA TYR 23 HA TYR 23 -0.900 -1.934 -1.934 176 1HB TYR 23 2HB TYR 23 -0.044 -3.586 -3.586 177 2HB TYR 23 1HB TYR 23 -1.671 -3.236 -3.236 178 HD1 TYR 23 2HD TYR 23 -1.882 -3.966 -3.966 179 HD2 TYR 23 1HD TYR 23 0.358 -5.887 -5.887 180 HE1 TYR 23 2HE TYR 23 -1.999 -6.067 -6.067 181 HE2 TYR 23 1HE TYR 23 0.260 -7.987 -7.987 182 HH TYR 23 HH TYR 23 -0.488 -9.033 -9.033 183 H ARG 24 H ARG 24 1.742 -2.257 -2.257 184 HA ARG 24 HA ARG 24 1.383 -0.021 -0.021 185 1HB ARG 24 2HB ARG 24 2.928 -1.842 -1.842 186 2HB ARG 24 1HB ARG 24 3.854 -1.360 -1.360 187 1HG ARG 24 2HG ARG 24 4.687 0.382 0.382 188 2HG ARG 24 1HG ARG 24 3.233 0.721 0.721 189 1HD ARG 24 2HD ARG 24 3.812 -0.654 -0.654 190 2HD ARG 24 1HD ARG 24 4.494 -1.830 -1.830 191 HE ARG 24 HE ARG 24 6.433 -0.316 -0.316 192 1HH1 ARG 24 1HH2 ARG 24 6.221 1.886 1.886 193 2HH1 ARG 24 2HH2 ARG 24 6.466 1.450 1.450 194 1HH2 ARG 24 2HH1 ARG 24 6.017 -1.973 -1.973 195 2HH2 ARG 24 1HH1 ARG 24 6.437 -0.982 -0.982 196 H LEU 25 H LEU 25 2.661 -0.132 -0.132 197 HA LEU 25 HA LEU 25 4.101 2.273 2.273 198 1HB LEU 25 2HB LEU 25 4.218 0.635 0.635 199 2HB LEU 25 1HB LEU 25 2.643 0.819 0.819 200 HG LEU 25 HG LEU 25 3.274 3.299 3.299 201 1HD1 LEU 25 1HD1 LEU 25 6.085 2.350 2.350 202 2HD1 LEU 25 3HD1 LEU 25 5.688 3.880 3.880 203 3HD1 LEU 25 2HD1 LEU 25 5.167 3.568 3.568 204 1HD2 LEU 25 3HD2 LEU 25 3.361 1.531 1.531 205 2HD2 LEU 25 2HD2 LEU 25 4.602 2.743 2.743 206 3HD2 LEU 25 1HD2 LEU 25 5.033 1.194 1.194 207 H SER 26 H SER 26 1.110 1.894 1.894 208 HA SER 26 HA SER 26 0.348 4.610 4.610 209 1HB SER 26 2HB SER 26 1.241 4.234 4.234 210 2HB SER 26 1HB SER 26 -0.519 4.179 4.179 211 HG SER 26 HG SER 26 1.080 6.263 6.263 212 H PHE 27 H PHE 27 -0.435 1.530 1.530 213 HA PHE 27 HA PHE 27 -3.367 2.032 2.032 214 1HB PHE 27 2HB PHE 27 -2.184 -0.577 -0.577 215 2HB PHE 27 1HB PHE 27 -3.673 -0.278 -0.278 216 HD1 PHE 27 2HD PHE 27 0.046 0.131 0.131 217 HD2 PHE 27 1HD PHE 27 -3.757 -0.440 -0.440 218 HE1 PHE 27 2HE PHE 27 1.147 -0.139 -0.139 219 HE2 PHE 27 1HE PHE 27 -2.610 -0.721 -0.721 220 HZ PHE 27 HZ PHE 27 -0.151 -0.593 -0.593 221 H CYS 28 H CYS 28 -1.121 1.160 1.160 222 HA CYS 28 HA CYS 28 -3.236 1.658 1.658 223 1HB CYS 28 2HB CYS 28 -0.714 0.357 0.357 224 2HB CYS 28 1HB CYS 28 -2.374 -0.124 -0.124 225 H ARG 29 H ARG 29 -1.988 3.607 3.607 226 HA ARG 29 HA ARG 29 0.256 4.921 4.921 227 1HB ARG 29 2HB ARG 29 -2.598 5.615 5.615 228 2HB ARG 29 1HB ARG 29 -1.575 6.898 6.898 229 1HG ARG 29 2HG ARG 29 -0.319 6.907 6.907 230 2HG ARG 29 1HG ARG 29 -0.767 5.243 5.243 231 1HD ARG 29 2HD ARG 29 -2.888 5.735 5.735 232 2HD ARG 29 1HD ARG 29 -2.939 7.323 7.323 233 HE ARG 29 HE ARG 29 -1.038 6.579 6.579 234 1HH1 ARG 29 2HH1 ARG 29 -0.751 9.290 9.290 235 2HH1 ARG 29 1HH1 ARG 29 -1.741 10.253 10.253 236 1HH2 ARG 29 1HH2 ARG 29 -3.470 7.274 7.274 237 2HH2 ARG 29 2HH2 ARG 29 -3.447 8.974 8.974 238 H LYS 30 H LYS 30 -2.444 5.363 5.363 239 HA LYS 30 HA LYS 30 -0.594 6.312 6.312 240 1HB LYS 30 2HB LYS 30 -3.598 5.980 5.980 241 2HB LYS 30 1HB LYS 30 -2.549 7.150 7.150 242 1HG LYS 30 2HG LYS 30 -2.235 7.818 7.818 243 2HG LYS 30 1HG LYS 30 -3.855 7.174 7.174 244 1HD LYS 30 2HD LYS 30 -4.543 9.246 9.246 245 2HD LYS 30 1HD LYS 30 -3.960 8.829 8.829 246 1HE LYS 30 2HE LYS 30 -2.491 10.325 10.325 247 2HE LYS 30 1HE LYS 30 -2.879 10.928 10.928 248 1HZ LYS 30 2HZ LYS 30 -1.283 8.550 8.550 249 2HZ LYS 30 1HZ LYS 30 -0.547 9.581 9.581 250 3HZ LYS 30 3HZ LYS 30 -0.833 10.099 10.099 251 H THR 31 H THR 31 -3.134 3.958 3.958 252 HA THR 31 HA THR 31 -3.214 2.393 2.393 253 HB THR 31 HB THR 31 -3.183 1.549 1.549 254 HG1 THR 31 1HG THR 31 -5.020 2.580 2.580 255 1HG2 THR 31 2HG2 THR 31 -3.851 -0.189 -0.189 256 2HG2 THR 31 1HG2 THR 31 -4.028 -0.589 -0.589 257 3HG2 THR 31 3HG2 THR 31 -2.420 -0.455 -0.455 258 H CYS 32 H CYS 32 -0.412 2.413 2.413 259 HA CYS 32 HA CYS 32 0.906 0.436 0.436 260 1HB CYS 32 2HB CYS 32 1.052 0.954 0.954 261 2HB CYS 32 1HB CYS 32 2.603 0.826 0.826 262 H GLY 33 H GLY 33 1.166 3.554 3.554 263 1HA GLY 33 2HA GLY 33 2.112 5.371 5.371 264 2HA GLY 33 1HA GLY 33 3.281 4.233 4.233 265 H THR 34 H THR 34 2.264 5.040 5.040 266 HA THR 34 HA THR 34 5.129 5.457 5.457 267 HB THR 34 HB THR 34 3.569 5.639 5.639 268 HG1 THR 34 1HG THR 34 2.394 3.496 3.496 269 1HG2 THR 34 2HG2 THR 34 5.638 4.173 4.173 270 2HG2 THR 34 1HG2 THR 34 4.581 3.070 3.070 271 3HG2 THR 34 3HG2 THR 34 4.386 3.304 3.304 272 H CYS 35 HN CYS 35 1.949 7.094 7.094 273 HA CYS 35 HA CYS 35 3.327 9.642 9.642 274 1HB CYS 35 2HB CYS 35 1.363 10.314 10.314 275 2HB CYS 35 1HB CYS 35 2.614 9.495 9.495 Start of MODEL 16 1 1H ARG 1 2H ARG 1 0.185 12.421 12.421 2 2H ARG 1 1H ARG 1 1.459 13.498 13.498 3 3H ARG 1 3H ARG 1 1.540 12.375 12.375 4 HA ARG 1 HA ARG 1 0.558 13.849 13.849 5 1HB ARG 1 2HB ARG 1 1.566 15.709 15.709 6 2HB ARG 1 1HB ARG 1 -0.013 15.845 15.845 7 1HG ARG 1 2HG ARG 1 -0.225 17.534 17.534 8 2HG ARG 1 1HG ARG 1 -0.889 16.213 16.213 9 1HD ARG 1 2HD ARG 1 0.649 17.184 17.184 10 2HD ARG 1 1HD ARG 1 1.553 15.811 15.811 11 HE ARG 1 HE ARG 1 2.580 17.549 17.549 12 1HH1 ARG 1 1HH2 ARG 1 1.087 19.811 19.811 13 2HH1 ARG 1 2HH2 ARG 1 2.171 20.528 20.528 14 1HH2 ARG 1 1HH1 ARG 1 4.166 17.545 17.545 15 2HH2 ARG 1 2HH1 ARG 1 4.087 19.107 19.107 16 H SER 2 H SER 2 -1.612 14.876 14.876 17 HA SER 2 HA SER 2 -3.914 13.881 13.881 18 1HB SER 2 2HB SER 2 -3.994 15.305 15.305 19 2HB SER 2 1HB SER 2 -5.199 15.317 15.317 20 HG SER 2 HG SER 2 -4.116 16.989 16.989 21 H CYS 3 H CYS 3 -2.642 11.818 11.818 22 HA CYS 3 HA CYS 3 -3.745 10.498 10.498 23 1HB CYS 3 2HB CYS 3 -1.709 9.060 9.060 24 2HB CYS 3 1HB CYS 3 -1.394 10.662 10.662 25 H ILE 4 H ILE 4 -5.187 9.096 9.096 26 HA ILE 4 HA ILE 4 -5.319 7.855 7.855 27 HB ILE 4 HB ILE 4 -7.415 8.256 8.256 28 1HG1 ILE 4 2HG1 ILE 4 -6.563 10.428 10.428 29 2HG1 ILE 4 1HG1 ILE 4 -8.243 10.140 10.140 30 1HG2 ILE 4 2HG2 ILE 4 -7.778 7.378 7.378 31 2HG2 ILE 4 1HG2 ILE 4 -9.074 7.826 7.826 32 3HG2 ILE 4 3HG2 ILE 4 -8.076 6.437 6.437 33 1HD1 ILE 4 2HD1 ILE 4 -5.991 9.596 9.596 34 2HD1 ILE 4 1HD1 ILE 4 -7.096 10.964 10.964 35 3HD1 ILE 4 3HD1 ILE 4 -7.693 9.341 9.341 36 H ASP 5 H ASP 5 -6.267 5.777 5.777 37 HA ASP 5 HA ASP 5 -4.845 4.028 4.028 38 1HB ASP 5 2HB ASP 5 -6.910 3.209 3.209 39 2HB ASP 5 1HB ASP 5 -5.569 2.270 2.270 40 H THR 6 H THR 6 -5.946 2.302 2.302 41 HA THR 6 HA THR 6 -8.827 2.620 2.620 42 HB THR 6 HB THR 6 -7.689 4.102 4.102 43 HG1 THR 6 1HG THR 6 -8.496 1.555 1.555 44 1HG2 THR 6 2HG2 THR 6 -6.046 1.641 1.641 45 2HG2 THR 6 1HG2 THR 6 -6.021 3.203 3.203 46 3HG2 THR 6 3HG2 THR 6 -5.401 3.056 3.056 47 H ILE 7 H ILE 7 -7.016 0.925 0.925 48 HA ILE 7 HA ILE 7 -7.608 -1.675 -1.675 49 HB ILE 7 HB ILE 7 -5.197 -0.813 -0.813 50 1HG1 ILE 7 2HG1 ILE 7 -4.019 -2.825 -2.825 51 2HG1 ILE 7 1HG1 ILE 7 -5.511 -3.367 -3.367 52 1HG2 ILE 7 1HG2 ILE 7 -5.137 0.316 0.316 53 2HG2 ILE 7 3HG2 ILE 7 -5.167 -1.255 -1.255 54 3HG2 ILE 7 2HG2 ILE 7 -3.812 -0.787 -0.787 55 1HD1 ILE 7 2HD1 ILE 7 -6.568 -3.357 -3.357 56 2HD1 ILE 7 1HD1 ILE 7 -5.018 -2.862 -2.862 57 3HD1 ILE 7 3HD1 ILE 7 -5.190 -4.440 -4.440 58 HA PRO 8 HA PRO 8 -8.489 -2.812 -2.812 59 1HB PRO 8 2HB PRO 8 -8.358 -5.488 -5.488 60 2HB PRO 8 1HB PRO 8 -9.701 -4.662 -4.662 61 1HG PRO 8 2HG PRO 8 -6.998 -5.413 -5.413 62 2HG PRO 8 1HG PRO 8 -8.604 -5.975 -5.975 63 1HD PRO 8 2HD PRO 8 -7.637 -3.831 -3.831 64 2HD PRO 8 1HD PRO 8 -9.313 -3.746 -3.746 65 H LYS 9 H LYS 9 -7.146 -2.607 -2.607 66 HA LYS 9 HA LYS 9 -4.359 -2.557 -2.557 67 1HB LYS 9 2HB LYS 9 -5.769 -1.592 -1.592 68 2HB LYS 9 1HB LYS 9 -5.950 -3.217 -3.217 69 1HG LYS 9 2HG LYS 9 -3.138 -2.435 -2.435 70 2HG LYS 9 1HG LYS 9 -3.872 -1.601 -1.601 71 1HD LYS 9 2HD LYS 9 -4.013 -3.578 -3.578 72 2HD LYS 9 1HD LYS 9 -4.079 -4.588 -4.588 73 1HE LYS 9 2HE LYS 9 -1.846 -4.668 -4.668 74 2HE LYS 9 1HE LYS 9 -1.740 -4.321 -4.321 75 1HZ LYS 9 3HZ LYS 9 -1.965 -1.855 -1.855 76 2HZ LYS 9 2HZ LYS 9 -0.769 -2.758 -2.758 77 3HZ LYS 9 1HZ LYS 9 -0.658 -2.433 -2.433 78 H SER 10 H SER 10 -6.556 -4.953 -4.953 79 HA SER 10 HA SER 10 -5.077 -7.063 -7.063 80 1HB SER 10 2HB SER 10 -7.621 -7.152 -7.152 81 2HB SER 10 1HB SER 10 -7.217 -7.393 -7.393 82 HG SER 10 HG SER 10 -6.276 -9.308 -9.308 83 H ARG 11 H ARG 11 -5.136 -5.802 -5.802 84 HA ARG 11 HA ARG 11 -3.486 -7.973 -7.973 85 1HB ARG 11 2HB ARG 11 -5.256 -6.421 -6.421 86 2HB ARG 11 1HB ARG 11 -3.924 -5.276 -5.276 87 1HG ARG 11 2HG ARG 11 -3.970 -6.523 -6.523 88 2HG ARG 11 1HG ARG 11 -2.567 -6.960 -6.960 89 1HD ARG 11 2HD ARG 11 -3.660 -9.008 -9.008 90 2HD ARG 11 1HD ARG 11 -5.123 -8.587 -8.587 91 HE ARG 11 HE ARG 11 -2.434 -9.005 -9.005 92 1HH1 ARG 11 2HH1 ARG 11 -4.526 -8.106 -8.106 93 2HH1 ARG 11 1HH1 ARG 11 -5.212 -9.514 -9.514 94 1HH2 ARG 11 1HH2 ARG 11 -3.750 -11.516 -11.516 95 2HH2 ARG 11 2HH2 ARG 11 -4.748 -11.638 -11.638 96 H CYS 12 H CYS 12 -3.135 -4.876 -4.876 97 HA CYS 12 HA CYS 12 -0.181 -4.904 -4.904 98 1HB CYS 12 2HB CYS 12 -2.148 -2.768 -2.768 99 2HB CYS 12 1HB CYS 12 -0.861 -2.534 -2.534 100 H THR 13 H THR 13 -1.305 -6.769 -6.769 101 HA THR 13 HA THR 13 -1.223 -6.417 -6.417 102 HB THR 13 HB THR 13 -2.273 -8.451 -8.451 103 HG1 THR 13 1HG THR 13 -1.135 -9.905 -9.905 104 1HG2 THR 13 1HG2 THR 13 0.481 -9.164 -9.164 105 2HG2 THR 13 3HG2 THR 13 -0.948 -10.194 -10.194 106 3HG2 THR 13 2HG2 THR 13 -0.938 -8.708 -8.708 107 H ALA 14 H ALA 14 0.495 -7.453 -7.453 108 HA ALA 14 HA ALA 14 2.915 -5.994 -5.994 109 1HB ALA 14 1HB ALA 14 2.538 -8.676 -8.676 110 2HB ALA 14 3HB ALA 14 3.879 -7.579 -7.579 111 3HB ALA 14 2HB ALA 14 2.260 -7.104 -7.104 112 H PHE 15 H PHE 15 1.854 -8.952 -8.952 113 HA PHE 15 HA PHE 15 4.402 -9.984 -9.984 114 1HB PHE 15 2HB PHE 15 1.877 -10.659 -10.659 115 2HB PHE 15 1HB PHE 15 3.225 -11.674 -11.674 116 HD1 PHE 15 2HD PHE 15 3.048 -10.694 -10.694 117 HD2 PHE 15 1HD PHE 15 0.337 -12.371 -12.371 118 HE1 PHE 15 2HE PHE 15 1.705 -11.608 -11.608 119 HE2 PHE 15 1HE PHE 15 -0.998 -13.289 -13.289 120 HZ PHE 15 HZ PHE 15 -0.322 -12.912 -12.912 121 H GLN 16 H GLN 16 2.064 -7.800 -7.800 122 HA GLN 16 HA GLN 16 3.796 -7.750 -7.750 123 1HB GLN 16 2HB GLN 16 0.943 -6.660 -6.660 124 2HB GLN 16 1HB GLN 16 1.774 -7.135 -7.135 125 1HG GLN 16 2HG GLN 16 1.940 -9.417 -9.417 126 2HG GLN 16 1HG GLN 16 0.344 -8.771 -8.771 127 1HE2 GLN 16 2HE2 GLN 16 1.396 -10.614 -10.614 128 2HE2 GLN 16 1HE2 GLN 16 2.628 -10.118 -10.118 129 H CYS 17 H CYS 17 2.696 -5.891 -5.891 130 HA CYS 17 HA CYS 17 3.125 -3.214 -3.214 131 1HB CYS 17 2HB CYS 17 2.096 -3.962 -3.962 132 2HB CYS 17 1HB CYS 17 3.695 -4.073 -4.073 133 H LYS 18 H LYS 18 5.188 -5.657 -5.657 134 HA LYS 18 HA LYS 18 7.617 -3.865 -3.865 135 1HB LYS 18 2HB LYS 18 7.186 -5.155 -5.155 136 2HB LYS 18 1HB LYS 18 7.666 -6.593 -6.593 137 1HG LYS 18 2HG LYS 18 9.841 -5.504 -5.504 138 2HG LYS 18 1HG LYS 18 9.357 -4.062 -4.062 139 1HD LYS 18 2HD LYS 18 9.129 -5.409 -5.409 140 2HD LYS 18 1HD LYS 18 9.706 -6.828 -6.828 141 1HE LYS 18 2HE LYS 18 11.261 -4.202 -4.202 142 2HE LYS 18 1HE LYS 18 11.541 -5.693 -5.693 143 1HZ LYS 18 3HZ LYS 18 11.596 -6.352 -6.352 144 2HZ LYS 18 2HZ LYS 18 12.529 -4.945 -4.945 145 3HZ LYS 18 1HZ LYS 18 12.923 -6.315 -6.315 146 H HIS 19 H HIS 19 5.848 -5.854 -5.854 147 HA HIS 19 HA HIS 19 8.205 -6.642 -6.642 148 1HB HIS 19 2HB HIS 19 6.052 -8.567 -8.567 149 2HB HIS 19 1HB HIS 19 7.217 -8.924 -8.924 150 HD1 HIS 19 1HD HIS 19 9.776 -8.442 -8.442 151 HD2 HIS 19 2HD HIS 19 6.971 -9.274 -9.274 152 HE1 HIS 19 1HE HIS 19 10.954 -9.192 -9.192 153 H SER 20 H SER 20 4.645 -6.377 -6.377 154 HA SER 20 HA SER 20 4.712 -6.662 -6.662 155 1HB SER 20 2HB SER 20 2.451 -5.840 -5.840 156 2HB SER 20 1HB SER 20 2.293 -6.392 -6.392 157 HG SER 20 HG SER 20 2.232 -8.310 -8.310 158 H MET 21 H MET 21 6.193 -4.864 -4.864 159 HA MET 21 HA MET 21 5.264 -2.116 -2.116 160 1HB MET 21 2HB MET 21 7.509 -3.430 -3.430 161 2HB MET 21 1HB MET 21 7.206 -1.724 -1.724 162 1HG MET 21 2HG MET 21 8.108 -3.208 -3.208 163 2HG MET 21 1HG MET 21 8.951 -2.006 -2.006 164 1HE MET 21 1HE MET 21 7.368 0.341 0.341 165 2HE MET 21 3HE MET 21 5.732 -0.065 -0.065 166 3HE MET 21 2HE MET 21 6.651 1.175 1.175 167 1HN DNP 22 HN DAP 22 3.308 -2.550 -2.550 168 HA DNP 22 HA DAP 22 2.617 -1.452 -1.452 169 1HB DNP 22 1HB DAP 22 1.187 -3.468 -3.468 170 2HB DNP 22 2HB DAP 22 1.906 -4.406 -4.406 171 1HG DNP 22 1HG DAP 22 3.998 -3.247 -3.247 172 2HG DNP 22 2HG DAP 22 2.963 -4.063 -4.063 173 3HG DNP 22 3HG DAP 22 3.667 -4.867 -4.867 174 H TYR 23 H TYR 23 1.415 -3.531 -3.531 175 HA TYR 23 HA TYR 23 -0.830 -1.686 -1.686 176 1HB TYR 23 2HB TYR 23 0.025 -3.428 -3.428 177 2HB TYR 23 1HB TYR 23 -1.584 -2.973 -2.973 178 HD1 TYR 23 1HD TYR 23 -1.968 -3.880 -3.880 179 HD2 TYR 23 2HD TYR 23 0.248 -5.678 -5.678 180 HE1 TYR 23 1HE TYR 23 -2.306 -6.102 -6.102 181 HE2 TYR 23 2HE TYR 23 -0.082 -7.864 -7.864 182 HH TYR 23 HH TYR 23 -1.020 -8.406 -8.406 183 H ARG 24 H ARG 24 2.116 -2.425 -2.425 184 HA ARG 24 HA ARG 24 2.390 -0.312 -0.312 185 1HB ARG 24 2HB ARG 24 3.521 -2.779 -2.779 186 2HB ARG 24 1HB ARG 24 4.810 -1.715 -1.715 187 1HG ARG 24 2HG ARG 24 3.403 -1.718 -1.718 188 2HG ARG 24 1HG ARG 24 4.923 -2.547 -2.547 189 1HD ARG 24 2HD ARG 24 4.382 0.461 0.461 190 2HD ARG 24 1HD ARG 24 5.385 -0.456 -0.456 191 HE ARG 24 HE ARG 24 5.963 0.140 0.140 192 1HH1 ARG 24 2HH1 ARG 24 6.761 -2.003 -2.003 193 2HH1 ARG 24 1HH1 ARG 24 8.463 -1.742 -1.742 194 1HH2 ARG 24 1HH2 ARG 24 8.111 1.244 1.244 195 2HH2 ARG 24 2HH2 ARG 24 9.289 0.285 0.285 196 H LEU 25 H LEU 25 2.158 0.138 0.138 197 HA LEU 25 HA LEU 25 4.438 2.001 2.001 198 1HB LEU 25 2HB LEU 25 4.053 0.170 0.170 199 2HB LEU 25 1HB LEU 25 2.477 0.683 0.683 200 HG LEU 25 HG LEU 25 3.238 2.875 2.875 201 1HD1 LEU 25 1HD1 LEU 25 6.030 1.659 1.659 202 2HD1 LEU 25 3HD1 LEU 25 5.632 3.166 3.166 203 3HD1 LEU 25 2HD1 LEU 25 5.437 3.031 3.031 204 1HD2 LEU 25 1HD2 LEU 25 4.460 0.455 0.455 205 2HD2 LEU 25 3HD2 LEU 25 2.804 1.027 1.027 206 3HD2 LEU 25 2HD2 LEU 25 4.133 2.013 2.013 207 H SER 26 H SER 26 1.205 1.946 1.946 208 HA SER 26 HA SER 26 0.649 4.553 4.553 209 1HB SER 26 2HB SER 26 -0.282 5.325 5.325 210 2HB SER 26 1HB SER 26 1.468 4.976 4.976 211 HG SER 26 HG SER 26 -0.705 3.541 3.541 212 H PHE 27 H PHE 27 -0.252 1.613 1.613 213 HA PHE 27 HA PHE 27 -3.174 2.227 2.227 214 1HB PHE 27 2HB PHE 27 -2.119 -0.442 -0.442 215 2HB PHE 27 1HB PHE 27 -3.685 -0.030 -0.030 216 HD1 PHE 27 1HD PHE 27 -1.077 1.555 1.555 217 HD2 PHE 27 2HD PHE 27 -3.284 -2.053 -2.053 218 HE1 PHE 27 1HE PHE 27 -0.502 0.822 0.822 219 HE2 PHE 27 2HE PHE 27 -2.675 -2.782 -2.782 220 HZ PHE 27 HZ PHE 27 -1.280 -1.346 -1.346 221 H CYS 28 H CYS 28 -1.088 1.128 1.128 222 HA CYS 28 HA CYS 28 -3.393 1.642 1.642 223 1HB CYS 28 2HB CYS 28 -1.021 0.297 0.297 224 2HB CYS 28 1HB CYS 28 -2.706 -0.137 -0.137 225 H ARG 29 H ARG 29 -2.182 3.619 3.619 226 HA ARG 29 HA ARG 29 0.028 4.915 4.915 227 1HB ARG 29 2HB ARG 29 -2.815 5.594 5.594 228 2HB ARG 29 1HB ARG 29 -1.750 6.899 6.899 229 1HG ARG 29 2HG ARG 29 -0.249 6.342 6.342 230 2HG ARG 29 1HG ARG 29 -1.248 4.962 4.962 231 1HD ARG 29 2HD ARG 29 -2.605 6.141 6.141 232 2HD ARG 29 1HD ARG 29 -2.903 7.342 7.342 233 HE ARG 29 HE ARG 29 -0.492 8.220 8.220 234 1HH1 ARG 29 1HH2 ARG 29 -3.397 8.064 8.064 235 2HH1 ARG 29 2HH2 ARG 29 -2.987 8.570 8.570 236 1HH2 ARG 29 2HH1 ARG 29 0.490 8.325 8.325 237 2HH2 ARG 29 1HH1 ARG 29 -0.578 8.661 8.661 238 H LYS 30 H LYS 30 -2.586 4.907 4.907 239 HA LYS 30 HA LYS 30 -0.783 6.060 6.060 240 1HB LYS 30 2HB LYS 30 -3.799 5.563 5.563 241 2HB LYS 30 1HB LYS 30 -2.870 6.396 6.396 242 1HG LYS 30 2HG LYS 30 -2.950 7.260 7.260 243 2HG LYS 30 1HG LYS 30 -4.098 7.841 7.841 244 1HD LYS 30 2HD LYS 30 -1.980 8.665 8.665 245 2HD LYS 30 1HD LYS 30 -0.993 8.070 8.070 246 1HE LYS 30 2HE LYS 30 -1.484 10.554 10.554 247 2HE LYS 30 1HE LYS 30 -1.708 9.684 9.684 248 1HZ LYS 30 3HZ LYS 30 -4.136 9.656 9.656 249 2HZ LYS 30 2HZ LYS 30 -3.595 11.245 11.245 250 3HZ LYS 30 1HZ LYS 30 -3.830 10.190 10.190 251 H THR 31 H THR 31 -3.165 3.766 3.766 252 HA THR 31 HA THR 31 -3.301 2.066 2.066 253 HB THR 31 HB THR 31 -3.070 1.465 1.465 254 HG1 THR 31 1HG THR 31 -4.800 2.717 2.717 255 1HG2 THR 31 1HG2 THR 31 -4.197 -0.218 -0.218 256 2HG2 THR 31 3HG2 THR 31 -4.288 -0.552 -0.552 257 3HG2 THR 31 2HG2 THR 31 -2.730 -0.661 -0.661 258 H CYS 32 H CYS 32 -0.542 2.350 2.350 259 HA CYS 32 HA CYS 32 0.934 0.529 0.529 260 1HB CYS 32 2HB CYS 32 0.675 -0.496 -0.496 261 2HB CYS 32 1HB CYS 32 1.429 0.910 0.910 262 H GLY 33 H GLY 33 1.110 3.202 3.202 263 1HA GLY 33 2HA GLY 33 1.955 5.414 5.414 264 2HA GLY 33 1HA GLY 33 3.121 4.483 4.483 265 H THR 34 H THR 34 2.012 4.588 4.588 266 HA THR 34 HA THR 34 4.781 4.196 4.196 267 HB THR 34 HB THR 34 3.745 3.341 3.341 268 HG1 THR 34 1HG THR 34 2.157 4.495 4.495 269 1HG2 THR 34 2HG2 THR 34 3.096 1.889 1.889 270 2HG2 THR 34 1HG2 THR 34 1.583 2.762 2.762 271 3HG2 THR 34 3HG2 THR 34 1.970 1.776 1.776 272 H CYS 35 HN CYS 35 2.260 6.690 6.690 273 HA CYS 35 HA CYS 35 3.915 8.457 8.457 274 1HB CYS 35 2HB CYS 35 1.887 9.358 9.358 275 2HB CYS 35 1HB CYS 35 1.792 7.637 7.637 Start of MODEL 17 1 1H ARG 1 2H ARG 1 0.071 14.612 14.612 2 2H ARG 1 1H ARG 1 1.140 15.904 15.904 3 3H ARG 1 3H ARG 1 1.637 14.565 14.565 4 HA ARG 1 HA ARG 1 0.953 15.515 15.515 5 1HB ARG 1 2HB ARG 1 -0.003 17.878 17.878 6 2HB ARG 1 1HB ARG 1 1.563 17.663 17.663 7 1HG ARG 1 2HG ARG 1 0.371 19.108 19.108 8 2HG ARG 1 1HG ARG 1 0.386 17.607 17.607 9 1HD ARG 1 2HD ARG 1 -1.974 17.181 17.181 10 2HD ARG 1 1HD ARG 1 -1.975 18.451 18.451 11 HE ARG 1 HE ARG 1 -1.663 20.105 20.105 12 1HH1 ARG 1 1HH2 ARG 1 -1.027 19.005 19.005 13 2HH1 ARG 1 2HH2 ARG 1 -2.471 18.543 18.543 14 1HH2 ARG 1 1HH1 ARG 1 -4.262 18.622 18.622 15 2HH2 ARG 1 2HH1 ARG 1 -4.473 18.283 18.283 16 H SER 2 H SER 2 -0.553 13.575 13.575 17 HA SER 2 HA SER 2 -2.970 13.779 13.779 18 1HB SER 2 2HB SER 2 -3.870 14.831 14.831 19 2HB SER 2 1HB SER 2 -3.349 13.333 13.333 20 HG SER 2 HG SER 2 -5.555 13.713 13.713 21 H CYS 3 H CYS 3 -3.585 11.708 11.708 22 HA CYS 3 HA CYS 3 -1.915 9.585 9.585 23 1HB CYS 3 2HB CYS 3 -2.455 9.980 9.980 24 2HB CYS 3 1HB CYS 3 -1.540 8.690 8.690 25 H ILE 4 H ILE 4 -3.723 8.529 8.529 26 HA ILE 4 HA ILE 4 -5.945 7.874 7.874 27 HB ILE 4 HB ILE 4 -7.544 8.217 8.217 28 1HG1 ILE 4 2HG1 ILE 4 -6.535 9.298 9.298 29 2HG1 ILE 4 1HG1 ILE 4 -5.182 8.279 8.279 30 1HG2 ILE 4 3HG2 ILE 4 -6.916 10.265 10.265 31 2HG2 ILE 4 2HG2 ILE 4 -5.624 10.581 10.581 32 3HG2 ILE 4 1HG2 ILE 4 -7.300 10.624 10.624 33 1HD1 ILE 4 3HD1 ILE 4 -6.717 6.296 6.296 34 2HD1 ILE 4 2HD1 ILE 4 -8.061 7.326 7.326 35 3HD1 ILE 4 1HD1 ILE 4 -6.785 7.017 7.017 36 H ASP 5 H ASP 5 -6.245 5.796 5.796 37 HA ASP 5 HA ASP 5 -4.692 3.939 3.939 38 1HB ASP 5 2HB ASP 5 -6.795 3.231 3.231 39 2HB ASP 5 1HB ASP 5 -5.454 2.237 2.237 40 H THR 6 H THR 6 -5.830 2.162 2.162 41 HA THR 6 HA THR 6 -8.703 2.385 2.385 42 HB THR 6 HB THR 6 -7.539 3.981 3.981 43 HG1 THR 6 1HG THR 6 -9.169 3.224 3.224 44 1HG2 THR 6 1HG2 THR 6 -5.351 2.698 2.698 45 2HG2 THR 6 3HG2 THR 6 -6.232 1.440 1.440 46 3HG2 THR 6 2HG2 THR 6 -6.094 3.044 3.044 47 H ILE 7 H ILE 7 -6.864 0.800 0.800 48 HA ILE 7 HA ILE 7 -7.171 -1.807 -1.807 49 HB ILE 7 HB ILE 7 -4.794 -0.847 -0.847 50 1HG1 ILE 7 2HG1 ILE 7 -3.661 -2.847 -2.847 51 2HG1 ILE 7 1HG1 ILE 7 -5.253 -3.444 -3.444 52 1HG2 ILE 7 1HG2 ILE 7 -4.974 0.231 0.231 53 2HG2 ILE 7 3HG2 ILE 7 -5.041 -1.363 -1.363 54 3HG2 ILE 7 2HG2 ILE 7 -3.619 -0.856 -0.856 55 1HD1 ILE 7 1HD1 ILE 7 -5.756 -3.472 -3.472 56 2HD1 ILE 7 3HD1 ILE 7 -4.134 -2.886 -2.886 57 3HD1 ILE 7 2HD1 ILE 7 -4.379 -4.481 -4.481 58 HA PRO 8 HA PRO 8 -8.621 -3.103 -3.103 59 1HB PRO 8 2HB PRO 8 -8.227 -5.745 -5.745 60 2HB PRO 8 1HB PRO 8 -9.567 -5.008 -5.008 61 1HG PRO 8 2HG PRO 8 -6.705 -5.493 -5.493 62 2HG PRO 8 1HG PRO 8 -8.216 -6.129 -6.129 63 1HD PRO 8 2HD PRO 8 -7.298 -3.862 -3.862 64 2HD PRO 8 1HD PRO 8 -9.017 -3.909 -3.909 65 H LYS 9 H LYS 9 -7.320 -2.438 -2.438 66 HA LYS 9 HA LYS 9 -4.518 -2.383 -2.383 67 1HB LYS 9 2HB LYS 9 -5.980 -1.311 -1.311 68 2HB LYS 9 1HB LYS 9 -6.422 -2.877 -2.877 69 1HG LYS 9 2HG LYS 9 -3.471 -2.314 -2.314 70 2HG LYS 9 1HG LYS 9 -4.400 -1.461 -1.461 71 1HD LYS 9 2HD LYS 9 -4.920 -3.437 -3.437 72 2HD LYS 9 1HD LYS 9 -4.715 -4.460 -4.460 73 1HE LYS 9 2HE LYS 9 -2.788 -4.655 -4.655 74 2HE LYS 9 1HE LYS 9 -2.301 -4.257 -4.257 75 1HZ LYS 9 3HZ LYS 9 -2.879 -1.846 -1.846 76 2HZ LYS 9 2HZ LYS 9 -1.821 -2.755 -2.755 77 3HZ LYS 9 1HZ LYS 9 -1.407 -2.385 -2.385 78 H SER 10 H SER 10 -6.759 -4.782 -4.782 79 HA SER 10 HA SER 10 -5.612 -6.868 -6.868 80 1HB SER 10 2HB SER 10 -7.131 -7.451 -7.451 81 2HB SER 10 1HB SER 10 -7.416 -8.110 -8.110 82 HG SER 10 HG SER 10 -8.832 -6.522 -6.522 83 H ARG 11 H ARG 11 -5.136 -5.921 -5.921 84 HA ARG 11 HA ARG 11 -3.260 -8.075 -8.075 85 1HB ARG 11 2HB ARG 11 -4.791 -6.411 -6.411 86 2HB ARG 11 1HB ARG 11 -3.291 -5.542 -5.542 87 1HG ARG 11 2HG ARG 11 -3.127 -7.060 -7.060 88 2HG ARG 11 1HG ARG 11 -2.037 -7.662 -7.662 89 1HD ARG 11 2HD ARG 11 -3.974 -9.257 -9.257 90 2HD ARG 11 1HD ARG 11 -4.829 -8.702 -8.702 91 HE ARG 11 HE ARG 11 -2.139 -10.077 -10.077 92 1HH1 ARG 11 1HH2 ARG 11 -2.571 -8.907 -8.907 93 2HH1 ARG 11 2HH2 ARG 11 -3.520 -9.994 -9.994 94 1HH2 ARG 11 2HH1 ARG 11 -4.456 -11.770 -11.770 95 2HH2 ARG 11 1HH1 ARG 11 -4.649 -11.787 -11.787 96 H CYS 12 H CYS 12 -3.272 -4.798 -4.798 97 HA CYS 12 HA CYS 12 -0.389 -4.392 -4.392 98 1HB CYS 12 2HB CYS 12 -2.425 -2.716 -2.716 99 2HB CYS 12 1HB CYS 12 -0.953 -2.192 -2.192 100 H THR 13 H THR 13 -0.761 -6.520 -6.520 101 HA THR 13 HA THR 13 -0.527 -6.061 -6.061 102 HB THR 13 HB THR 13 -1.851 -8.053 -8.053 103 HG1 THR 13 1HG THR 13 0.001 -9.629 -9.629 104 1HG2 THR 13 3HG2 THR 13 0.608 -8.944 -8.944 105 2HG2 THR 13 2HG2 THR 13 -0.887 -9.848 -9.848 106 3HG2 THR 13 1HG2 THR 13 -0.907 -8.381 -8.381 107 H ALA 14 H ALA 14 1.438 -7.105 -7.105 108 HA ALA 14 HA ALA 14 3.746 -5.925 -5.925 109 1HB ALA 14 2HB ALA 14 3.568 -8.120 -8.120 110 2HB ALA 14 1HB ALA 14 5.006 -7.171 -7.171 111 3HB ALA 14 3HB ALA 14 3.566 -6.394 -6.394 112 H PHE 15 H PHE 15 2.246 -8.737 -8.737 113 HA PHE 15 HA PHE 15 4.571 -10.251 -10.251 114 1HB PHE 15 2HB PHE 15 1.870 -10.932 -10.932 115 2HB PHE 15 1HB PHE 15 3.068 -11.972 -11.972 116 HD1 PHE 15 1HD PHE 15 3.195 -10.447 -10.447 117 HD2 PHE 15 2HD PHE 15 -0.030 -11.886 -11.886 118 HE1 PHE 15 1HE PHE 15 1.802 -10.693 -10.693 119 HE2 PHE 15 2HE PHE 15 -1.403 -12.129 -12.129 120 HZ PHE 15 HZ PHE 15 -0.499 -11.530 -11.530 121 H GLN 16 H GLN 16 2.499 -7.834 -7.834 122 HA GLN 16 HA GLN 16 3.631 -8.054 -8.054 123 1HB GLN 16 2HB GLN 16 1.034 -6.736 -6.736 124 2HB GLN 16 1HB GLN 16 1.527 -7.140 -7.140 125 1HG GLN 16 2HG GLN 16 1.469 -9.539 -9.539 126 2HG GLN 16 1HG GLN 16 -0.067 -8.742 -8.742 127 1HE2 GLN 16 2HE2 GLN 16 1.507 -9.998 -9.998 128 2HE2 GLN 16 1HE2 GLN 16 2.583 -9.286 -9.286 129 H CYS 17 H CYS 17 2.314 -5.749 -5.749 130 HA CYS 17 HA CYS 17 3.027 -3.302 -3.302 131 1HB CYS 17 2HB CYS 17 1.820 -3.822 -3.822 132 2HB CYS 17 1HB CYS 17 3.373 -4.003 -4.003 133 H LYS 18 H LYS 18 5.060 -5.560 -5.560 134 HA LYS 18 HA LYS 18 7.406 -3.755 -3.755 135 1HB LYS 18 2HB LYS 18 6.829 -4.854 -4.854 136 2HB LYS 18 1HB LYS 18 7.150 -6.416 -6.416 137 1HG LYS 18 2HG LYS 18 9.575 -5.414 -5.414 138 2HG LYS 18 1HG LYS 18 9.133 -4.211 -4.211 139 1HD LYS 18 2HD LYS 18 8.989 -7.224 -7.224 140 2HD LYS 18 1HD LYS 18 10.305 -6.222 -6.222 141 1HE LYS 18 2HE LYS 18 8.827 -5.043 -5.043 142 2HE LYS 18 1HE LYS 18 7.390 -5.770 -5.770 143 1HZ LYS 18 3HZ LYS 18 9.128 -7.826 -7.826 144 2HZ LYS 18 2HZ LYS 18 8.984 -6.784 -6.784 145 3HZ LYS 18 1HZ LYS 18 7.599 -7.471 -7.471 146 H HIS 19 H HIS 19 6.018 -6.309 -6.309 147 HA HIS 19 HA HIS 19 8.610 -6.899 -6.899 148 1HB HIS 19 2HB HIS 19 6.336 -8.880 -8.880 149 2HB HIS 19 1HB HIS 19 7.806 -9.226 -9.226 150 HD1 HIS 19 1HD HIS 19 10.036 -8.300 -8.300 151 HD2 HIS 19 2HD HIS 19 6.692 -9.784 -9.784 152 HE1 HIS 19 1HE HIS 19 10.707 -9.059 -9.059 153 H SER 20 H SER 20 5.205 -6.843 -6.843 154 HA SER 20 HA SER 20 5.173 -6.685 -6.685 155 1HB SER 20 2HB SER 20 2.965 -6.932 -6.932 156 2HB SER 20 1HB SER 20 2.859 -7.052 -7.052 157 HG SER 20 HG SER 20 4.862 -8.607 -8.607 158 H MET 21 H MET 21 6.060 -4.578 -4.578 159 HA MET 21 HA MET 21 4.679 -2.251 -2.251 160 1HB MET 21 2HB MET 21 6.459 -2.757 -2.757 161 2HB MET 21 1HB MET 21 5.737 -1.190 -1.190 162 1HG MET 21 2HG MET 21 6.797 -1.526 -1.526 163 2HG MET 21 1HG MET 21 7.839 -2.610 -2.610 164 1HE MET 21 2HE MET 21 6.081 0.668 0.668 165 2HE MET 21 1HE MET 21 6.963 1.135 1.135 166 3HE MET 21 3HE MET 21 7.348 1.850 1.850 167 1HN DNP 22 HN DAP 22 3.711 -4.612 -4.612 168 HA DNP 22 HA DAP 22 2.112 -2.907 -2.907 169 1HB DNP 22 1HB DAP 22 0.701 -4.877 -4.877 170 2HB DNP 22 2HB DAP 22 1.334 -5.737 -5.737 171 1HG DNP 22 1HG DAP 22 2.356 -5.690 -5.690 172 2HG DNP 22 2HG DAP 22 3.003 -6.498 -6.498 173 3HG DNP 22 3HG DAP 22 3.503 -4.904 -4.904 174 H TYR 23 H TYR 23 1.898 -3.091 -3.091 175 HA TYR 23 HA TYR 23 -0.877 -2.067 -2.067 176 1HB TYR 23 2HB TYR 23 0.251 -3.622 -3.622 177 2HB TYR 23 1HB TYR 23 -1.429 -3.329 -3.329 178 HD1 TYR 23 1HD TYR 23 -2.269 -4.232 -4.232 179 HD2 TYR 23 2HD TYR 23 1.154 -5.716 -5.716 180 HE1 TYR 23 1HE TYR 23 -2.500 -6.334 -6.334 181 HE2 TYR 23 2HE TYR 23 0.937 -7.838 -7.838 182 HH TYR 23 HH TYR 23 -0.109 -8.899 -8.899 183 H ARG 24 H ARG 24 1.798 -2.319 -2.319 184 HA ARG 24 HA ARG 24 1.700 0.097 0.097 185 1HB ARG 24 2HB ARG 24 2.985 -1.568 -1.568 186 2HB ARG 24 1HB ARG 24 3.735 -2.027 -2.027 187 1HG ARG 24 2HG ARG 24 5.503 -1.106 -1.106 188 2HG ARG 24 1HG ARG 24 4.724 0.424 0.424 189 1HD ARG 24 2HD ARG 24 4.373 0.885 0.885 190 2HD ARG 24 1HD ARG 24 4.182 -0.827 -0.827 191 HE ARG 24 HE ARG 24 6.543 -1.130 -1.130 192 1HH1 ARG 24 1HH2 ARG 24 7.388 1.515 1.515 193 2HH1 ARG 24 2HH2 ARG 24 8.010 2.302 2.302 194 1HH2 ARG 24 2HH1 ARG 24 6.289 -0.067 -0.067 195 2HH2 ARG 24 1HH1 ARG 24 7.287 1.334 1.334 196 H LEU 25 H LEU 25 2.657 -0.339 -0.339 197 HA LEU 25 HA LEU 25 4.309 1.953 1.953 198 1HB LEU 25 2HB LEU 25 4.064 0.189 0.189 199 2HB LEU 25 1HB LEU 25 2.459 0.442 0.442 200 HG LEU 25 HG LEU 25 3.210 2.788 2.788 201 1HD1 LEU 25 2HD1 LEU 25 5.362 2.926 2.926 202 2HD1 LEU 25 1HD1 LEU 25 5.987 1.563 1.563 203 3HD1 LEU 25 3HD1 LEU 25 5.621 3.079 3.079 204 1HD2 LEU 25 2HD2 LEU 25 4.519 0.294 0.294 205 2HD2 LEU 25 1HD2 LEU 25 2.865 0.795 0.795 206 3HD2 LEU 25 3HD2 LEU 25 4.199 1.777 1.777 207 H SER 26 H SER 26 1.108 1.681 1.681 208 HA SER 26 HA SER 26 0.400 4.245 4.245 209 1HB SER 26 2HB SER 26 1.067 3.968 3.968 210 2HB SER 26 1HB SER 26 -0.459 4.824 4.824 211 HG SER 26 HG SER 26 2.003 5.228 5.228 212 H PHE 27 H PHE 27 -0.387 1.427 1.427 213 HA PHE 27 HA PHE 27 -3.291 1.824 1.824 214 1HB PHE 27 2HB PHE 27 -2.078 -0.692 -0.692 215 2HB PHE 27 1HB PHE 27 -3.566 -0.497 -0.497 216 HD1 PHE 27 2HD PHE 27 0.090 0.122 0.122 217 HD2 PHE 27 1HD PHE 27 -3.692 -1.201 -1.201 218 HE1 PHE 27 2HE PHE 27 1.107 -0.419 -0.419 219 HE2 PHE 27 1HE PHE 27 -2.657 -1.758 -1.758 220 HZ PHE 27 HZ PHE 27 -0.260 -1.376 -1.376 221 H CYS 28 H CYS 28 -1.049 1.079 1.079 222 HA CYS 28 HA CYS 28 -3.230 1.693 1.693 223 1HB CYS 28 2HB CYS 28 -0.726 0.506 0.506 224 2HB CYS 28 1HB CYS 28 -2.391 0.016 0.016 225 H ARG 29 H ARG 29 -2.223 3.877 3.877 226 HA ARG 29 HA ARG 29 0.061 5.195 5.195 227 1HB ARG 29 2HB ARG 29 -2.736 6.088 6.088 228 2HB ARG 29 1HB ARG 29 -1.675 7.220 7.220 229 1HG ARG 29 2HG ARG 29 -1.623 7.800 7.800 230 2HG ARG 29 1HG ARG 29 -0.141 6.897 6.897 231 1HD ARG 29 2HD ARG 29 -1.168 4.885 4.885 232 2HD ARG 29 1HD ARG 29 -2.706 5.658 5.658 233 HE ARG 29 HE ARG 29 -0.220 6.244 6.244 234 1HH1 ARG 29 2HH1 ARG 29 -1.046 8.545 8.545 235 2HH1 ARG 29 1HH1 ARG 29 -2.455 8.535 8.535 236 1HH2 ARG 29 1HH2 ARG 29 -3.102 5.179 5.179 237 2HH2 ARG 29 2HH2 ARG 29 -3.776 6.452 6.452 238 H LYS 30 H LYS 30 -2.877 5.473 5.473 239 HA LYS 30 HA LYS 30 -1.392 6.552 6.552 240 1HB LYS 30 2HB LYS 30 -4.294 5.694 5.694 241 2HB LYS 30 1HB LYS 30 -3.505 6.544 6.544 242 1HG LYS 30 2HG LYS 30 -2.808 8.303 8.303 243 2HG LYS 30 1HG LYS 30 -3.677 7.444 7.444 244 1HD LYS 30 2HD LYS 30 -5.705 8.262 8.262 245 2HD LYS 30 1HD LYS 30 -5.456 7.921 7.921 246 1HE LYS 30 2HE LYS 30 -4.048 10.232 10.232 247 2HE LYS 30 1HE LYS 30 -5.583 10.454 10.454 248 1HZ LYS 30 3HZ LYS 30 -3.872 9.055 9.055 249 2HZ LYS 30 2HZ LYS 30 -3.031 10.406 10.406 250 3HZ LYS 30 1HZ LYS 30 -4.536 10.600 10.600 251 H THR 31 H THR 31 -3.348 3.838 3.838 252 HA THR 31 HA THR 31 -3.366 2.198 2.198 253 HB THR 31 HB THR 31 -3.206 1.660 1.660 254 HG1 THR 31 1HG THR 31 -5.073 2.611 2.611 255 1HG2 THR 31 3HG2 THR 31 -4.039 -0.230 -0.230 256 2HG2 THR 31 2HG2 THR 31 -4.104 -0.489 -0.489 257 3HG2 THR 31 1HG2 THR 31 -2.545 -0.478 -0.478 258 H CYS 32 H CYS 32 -0.644 2.590 2.590 259 HA CYS 32 HA CYS 32 0.979 0.826 0.826 260 1HB CYS 32 2HB CYS 32 1.176 1.417 1.417 261 2HB CYS 32 1HB CYS 32 2.640 1.092 1.092 262 H GLY 33 H GLY 33 0.855 3.804 3.804 263 1HA GLY 33 2HA GLY 33 1.538 5.958 5.958 264 2HA GLY 33 1HA GLY 33 2.655 5.102 5.102 265 H THR 34 H THR 34 1.932 5.024 5.024 266 HA THR 34 HA THR 34 4.762 5.636 5.636 267 HB THR 34 HB THR 34 3.838 3.734 3.734 268 HG1 THR 34 1HG THR 34 3.073 3.279 3.279 269 1HG2 THR 34 3HG2 THR 34 5.413 3.246 3.246 270 2HG2 THR 34 2HG2 THR 34 5.465 2.274 2.274 271 3HG2 THR 34 1HG2 THR 34 6.151 3.890 3.890 272 H CYS 35 HN CYS 35 2.394 7.351 7.351 273 HA CYS 35 HA CYS 35 2.022 7.807 7.807 274 1HB CYS 35 2HB CYS 35 0.666 9.663 9.663 275 2HB CYS 35 1HB CYS 35 0.198 8.058 8.058 Start of MODEL 18 1 1H ARG 1 3H ARG 1 -2.263 18.171 18.171 2 2H ARG 1 2H ARG 1 -0.678 18.770 18.770 3 3H ARG 1 1H ARG 1 -1.669 18.798 18.798 4 HA ARG 1 HA ARG 1 -1.005 16.759 16.759 5 1HB ARG 1 2HB ARG 1 0.655 15.551 15.551 6 2HB ARG 1 1HB ARG 1 1.187 17.115 17.115 7 1HG ARG 1 2HG ARG 1 0.682 18.174 18.174 8 2HG ARG 1 1HG ARG 1 -0.196 16.754 16.754 9 1HD ARG 1 2HD ARG 1 1.838 15.434 15.434 10 2HD ARG 1 1HD ARG 1 2.764 16.653 16.653 11 HE ARG 1 HE ARG 1 3.120 16.694 16.694 12 1HH1 ARG 1 1HH2 ARG 1 2.881 19.384 19.384 13 2HH1 ARG 1 2HH2 ARG 1 1.773 20.156 20.156 14 1HH2 ARG 1 1HH1 ARG 1 0.597 16.982 16.982 15 2HH2 ARG 1 2HH1 ARG 1 0.386 18.674 18.674 16 H SER 2 H SER 2 -2.154 14.829 14.829 17 HA SER 2 HA SER 2 -3.405 14.006 14.006 18 1HB SER 2 2HB SER 2 -5.049 14.214 14.214 19 2HB SER 2 1HB SER 2 -5.646 14.008 14.008 20 HG SER 2 HG SER 2 -5.428 16.276 16.276 21 H CYS 3 H CYS 3 -2.708 11.914 11.914 22 HA CYS 3 HA CYS 3 -2.763 10.115 10.115 23 1HB CYS 3 2HB CYS 3 -0.606 10.678 10.678 24 2HB CYS 3 1HB CYS 3 -0.846 8.997 8.997 25 H ILE 4 H ILE 4 -4.538 8.859 8.859 26 HA ILE 4 HA ILE 4 -5.219 7.897 7.897 27 HB ILE 4 HB ILE 4 -7.600 7.905 7.905 28 1HG1 ILE 4 2HG1 ILE 4 -8.070 9.400 9.400 29 2HG1 ILE 4 1HG1 ILE 4 -6.389 9.217 9.217 30 1HG2 ILE 4 3HG2 ILE 4 -6.139 10.573 10.573 31 2HG2 ILE 4 2HG2 ILE 4 -7.866 10.378 10.378 32 3HG2 ILE 4 1HG2 ILE 4 -6.743 9.822 9.822 33 1HD1 ILE 4 2HD1 ILE 4 -8.391 6.936 6.936 34 2HD1 ILE 4 1HD1 ILE 4 -7.849 7.637 7.637 35 3HD1 ILE 4 3HD1 ILE 4 -6.734 6.734 6.734 36 H ASP 5 H ASP 5 -6.230 5.809 5.809 37 HA ASP 5 HA ASP 5 -4.803 3.976 3.976 38 1HB ASP 5 2HB ASP 5 -6.871 3.265 3.265 39 2HB ASP 5 1HB ASP 5 -5.602 2.256 2.256 40 H THR 6 H THR 6 -5.868 2.329 2.329 41 HA THR 6 HA THR 6 -8.775 2.605 2.605 42 HB THR 6 HB THR 6 -7.639 4.133 4.133 43 HG1 THR 6 1HG THR 6 -8.643 1.651 1.651 44 1HG2 THR 6 1HG2 THR 6 -6.157 1.630 1.630 45 2HG2 THR 6 3HG2 THR 6 -6.079 3.223 3.223 46 3HG2 THR 6 2HG2 THR 6 -5.390 2.958 2.958 47 H ILE 7 H ILE 7 -6.926 0.890 0.890 48 HA ILE 7 HA ILE 7 -7.415 -1.676 -1.676 49 HB ILE 7 HB ILE 7 -5.029 -0.828 -0.828 50 1HG1 ILE 7 2HG1 ILE 7 -3.893 -2.830 -2.830 51 2HG1 ILE 7 1HG1 ILE 7 -5.502 -3.391 -3.391 52 1HG2 ILE 7 2HG2 ILE 7 -5.020 0.353 0.353 53 2HG2 ILE 7 1HG2 ILE 7 -5.122 -1.186 -1.186 54 3HG2 ILE 7 3HG2 ILE 7 -3.732 -0.808 -0.808 55 1HD1 ILE 7 3HD1 ILE 7 -6.074 -3.306 -3.306 56 2HD1 ILE 7 2HD1 ILE 7 -4.436 -2.777 -2.777 57 3HD1 ILE 7 1HD1 ILE 7 -4.729 -4.382 -4.382 58 HA PRO 8 HA PRO 8 -8.559 -3.070 -3.070 59 1HB PRO 8 2HB PRO 8 -8.262 -5.718 -5.718 60 2HB PRO 8 1HB PRO 8 -9.657 -4.918 -4.918 61 1HG PRO 8 2HG PRO 8 -6.924 -5.471 -5.471 62 2HG PRO 8 1HG PRO 8 -8.503 -6.038 -6.038 63 1HD PRO 8 2HD PRO 8 -7.565 -3.789 -3.789 64 2HD PRO 8 1HD PRO 8 -9.258 -3.793 -3.793 65 H LYS 9 H LYS 9 -7.175 -2.748 -2.748 66 HA LYS 9 HA LYS 9 -4.396 -2.665 -2.665 67 1HB LYS 9 2HB LYS 9 -5.892 -1.766 -1.766 68 2HB LYS 9 1HB LYS 9 -5.987 -3.403 -3.403 69 1HG LYS 9 2HG LYS 9 -3.250 -2.421 -2.421 70 2HG LYS 9 1HG LYS 9 -4.089 -1.646 -1.646 71 1HD LYS 9 2HD LYS 9 -4.174 -3.763 -3.763 72 2HD LYS 9 1HD LYS 9 -3.606 -4.599 -4.599 73 1HE LYS 9 2HE LYS 9 -1.682 -4.095 -4.095 74 2HE LYS 9 1HE LYS 9 -1.420 -3.447 -3.447 75 1HZ LYS 9 1HZ LYS 9 -2.834 -1.532 -1.532 76 2HZ LYS 9 3HZ LYS 9 -1.441 -2.011 -2.011 77 3HZ LYS 9 2HZ LYS 9 -1.353 -1.337 -1.337 78 H SER 10 H SER 10 -6.613 -5.121 -5.121 79 HA SER 10 HA SER 10 -5.217 -7.143 -7.143 80 1HB SER 10 2HB SER 10 -7.006 -7.827 -7.827 81 2HB SER 10 1HB SER 10 -7.139 -8.460 -8.460 82 HG SER 10 HG SER 10 -8.699 -6.969 -6.969 83 H ARG 11 H ARG 11 -5.120 -5.956 -5.956 84 HA ARG 11 HA ARG 11 -3.370 -8.020 -8.020 85 1HB ARG 11 2HB ARG 11 -5.148 -6.401 -6.401 86 2HB ARG 11 1HB ARG 11 -3.809 -5.278 -5.278 87 1HG ARG 11 2HG ARG 11 -3.825 -6.423 -6.423 88 2HG ARG 11 1HG ARG 11 -2.422 -6.892 -6.892 89 1HD ARG 11 2HD ARG 11 -3.544 -8.978 -8.978 90 2HD ARG 11 1HD ARG 11 -4.985 -8.529 -8.529 91 HE ARG 11 HE ARG 11 -2.276 -8.868 -8.868 92 1HH1 ARG 11 1HH2 ARG 11 -4.585 -8.014 -8.014 93 2HH1 ARG 11 2HH2 ARG 11 -5.101 -9.459 -9.459 94 1HH2 ARG 11 2HH1 ARG 11 -3.320 -11.394 -11.394 95 2HH2 ARG 11 1HH1 ARG 11 -4.330 -11.574 -11.574 96 H CYS 12 H CYS 12 -3.143 -4.887 -4.887 97 HA CYS 12 HA CYS 12 -0.172 -4.900 -4.900 98 1HB CYS 12 2HB CYS 12 -2.160 -2.767 -2.767 99 2HB CYS 12 1HB CYS 12 -0.891 -2.524 -2.524 100 H THR 13 H THR 13 -1.195 -6.777 -6.777 101 HA THR 13 HA THR 13 -1.218 -6.265 -6.265 102 HB THR 13 HB THR 13 -2.165 -8.409 -8.409 103 HG1 THR 13 1HG THR 13 -0.181 -9.775 -9.775 104 1HG2 THR 13 2HG2 THR 13 0.573 -8.984 -8.984 105 2HG2 THR 13 1HG2 THR 13 -0.799 -10.098 -10.098 106 3HG2 THR 13 3HG2 THR 13 -0.914 -8.624 -8.624 107 H ALA 14 H ALA 14 0.599 -7.114 -7.114 108 HA ALA 14 HA ALA 14 2.956 -5.599 -5.599 109 1HB ALA 14 2HB ALA 14 2.363 -6.492 -6.492 110 2HB ALA 14 1HB ALA 14 2.700 -8.127 -8.127 111 3HB ALA 14 3HB ALA 14 3.992 -6.946 -6.946 112 H PHE 15 H PHE 15 1.959 -8.602 -8.602 113 HA PHE 15 HA PHE 15 4.480 -9.752 -9.752 114 1HB PHE 15 2HB PHE 15 1.966 -10.533 -10.533 115 2HB PHE 15 1HB PHE 15 3.231 -11.531 -11.531 116 HD1 PHE 15 2HD PHE 15 2.924 -10.111 -10.111 117 HD2 PHE 15 1HD PHE 15 0.293 -12.025 -12.025 118 HE1 PHE 15 2HE PHE 15 1.431 -10.715 -10.715 119 HE2 PHE 15 1HE PHE 15 -1.192 -12.635 -12.635 120 HZ PHE 15 HZ PHE 15 -0.628 -11.977 -11.977 121 H GLN 16 H GLN 16 2.228 -7.607 -7.607 122 HA GLN 16 HA GLN 16 3.904 -7.734 -7.734 123 1HB GLN 16 2HB GLN 16 1.063 -6.627 -6.627 124 2HB GLN 16 1HB GLN 16 1.909 -7.216 -7.216 125 1HG GLN 16 2HG GLN 16 1.925 -9.386 -9.386 126 2HG GLN 16 1HG GLN 16 0.345 -8.671 -8.671 127 1HE2 GLN 16 2HE2 GLN 16 1.590 -10.641 -10.641 128 2HE2 GLN 16 1HE2 GLN 16 2.751 -10.144 -10.144 129 H CYS 17 H CYS 17 2.691 -5.757 -5.757 130 HA CYS 17 HA CYS 17 3.055 -3.111 -3.111 131 1HB CYS 17 2HB CYS 17 2.139 -3.871 -3.871 132 2HB CYS 17 1HB CYS 17 3.758 -4.066 -4.066 133 H LYS 18 H LYS 18 5.284 -5.419 -5.419 134 HA LYS 18 HA LYS 18 7.527 -3.487 -3.487 135 1HB LYS 18 2HB LYS 18 7.276 -4.500 -4.500 136 2HB LYS 18 1HB LYS 18 7.855 -5.995 -5.995 137 1HG LYS 18 2HG LYS 18 9.741 -4.774 -4.774 138 2HG LYS 18 1HG LYS 18 9.931 -4.853 -4.853 139 1HD LYS 18 2HD LYS 18 9.237 -2.585 -2.585 140 2HD LYS 18 1HD LYS 18 8.528 -2.419 -2.419 141 1HE LYS 18 2HE LYS 18 11.492 -2.716 -2.716 142 2HE LYS 18 1HE LYS 18 10.684 -1.234 -1.234 143 1HZ LYS 18 3HZ LYS 18 10.038 -3.198 -3.198 144 2HZ LYS 18 2HZ LYS 18 11.713 -3.266 -3.266 145 3HZ LYS 18 1HZ LYS 18 10.970 -1.814 -1.814 146 H HIS 19 H HIS 19 5.916 -5.761 -5.761 147 HA HIS 19 HA HIS 19 8.267 -6.651 -6.651 148 1HB HIS 19 2HB HIS 19 6.066 -8.472 -8.472 149 2HB HIS 19 1HB HIS 19 7.253 -8.937 -8.937 150 HD1 HIS 19 1HD HIS 19 9.789 -8.435 -8.435 151 HD2 HIS 19 2HD HIS 19 6.942 -8.948 -8.948 152 HE1 HIS 19 1HE HIS 19 10.934 -9.025 -9.025 153 H SER 20 H SER 20 4.727 -6.246 -6.246 154 HA SER 20 HA SER 20 4.865 -6.566 -6.566 155 1HB SER 20 2HB SER 20 2.413 -6.184 -6.184 156 2HB SER 20 1HB SER 20 2.542 -6.849 -6.849 157 HG SER 20 HG SER 20 4.242 -8.086 -8.086 158 H MET 21 H MET 21 5.875 -4.578 -4.578 159 HA MET 21 HA MET 21 4.853 -1.977 -1.977 160 1HB MET 21 2HB MET 21 6.079 -1.185 -1.185 161 2HB MET 21 1HB MET 21 7.078 -2.318 -2.318 162 1HG MET 21 2HG MET 21 7.256 -3.610 -3.610 163 2HG MET 21 1HG MET 21 5.542 -3.857 -3.857 164 1HE MET 21 2HE MET 21 3.957 -1.984 -1.984 165 2HE MET 21 1HE MET 21 4.877 -0.511 -0.511 166 3HE MET 21 3HE MET 21 4.370 -0.958 -0.958 167 1HN DNP 22 HN DAP 22 3.441 -4.373 -4.373 168 HA DNP 22 HA DAP 22 2.000 -2.553 -2.553 169 1HB DNP 22 1HB DAP 22 0.424 -4.277 -4.277 170 2HB DNP 22 2HB DAP 22 0.625 -4.978 -4.978 171 1HG DNP 22 1HG DAP 22 1.985 -5.635 -5.635 172 2HG DNP 22 2HG DAP 22 2.183 -6.324 -6.324 173 3HG DNP 22 3HG DAP 22 3.127 -4.983 -4.983 174 H TYR 23 H TYR 23 1.391 -3.584 -3.584 175 HA TYR 23 HA TYR 23 -0.956 -1.745 -1.745 176 1HB TYR 23 2HB TYR 23 -0.219 -3.309 -3.309 177 2HB TYR 23 1HB TYR 23 -1.809 -3.004 -3.004 178 HD1 TYR 23 2HD TYR 23 -2.101 -4.224 -4.224 179 HD2 TYR 23 1HD TYR 23 0.469 -5.526 -5.526 180 HE1 TYR 23 2HE TYR 23 -2.148 -6.510 -6.510 181 HE2 TYR 23 1HE TYR 23 0.423 -7.766 -7.766 182 HH TYR 23 HH TYR 23 -0.077 -9.012 -9.012 183 H ARG 24 H ARG 24 1.906 -2.547 -2.547 184 HA ARG 24 HA ARG 24 2.134 -0.313 -0.313 185 1HB ARG 24 2HB ARG 24 3.440 -2.729 -2.729 186 2HB ARG 24 1HB ARG 24 4.668 -1.584 -1.584 187 1HG ARG 24 2HG ARG 24 3.142 -1.612 -1.612 188 2HG ARG 24 1HG ARG 24 4.711 -2.351 -2.351 189 1HD ARG 24 2HD ARG 24 3.957 0.594 0.594 190 2HD ARG 24 1HD ARG 24 5.090 -0.249 -0.249 191 HE ARG 24 HE ARG 24 5.523 0.456 0.456 192 1HH1 ARG 24 1HH2 ARG 24 7.344 -1.387 -1.387 193 2HH1 ARG 24 2HH2 ARG 24 8.719 -1.033 -1.033 194 1HH2 ARG 24 2HH1 ARG 24 6.699 1.357 1.357 195 2HH2 ARG 24 1HH1 ARG 24 8.309 0.720 0.720 196 H LEU 25 H LEU 25 2.303 -0.164 -0.164 197 HA LEU 25 HA LEU 25 4.421 1.851 1.851 198 1HB LEU 25 2HB LEU 25 4.034 0.509 0.509 199 2HB LEU 25 1HB LEU 25 2.380 0.743 0.743 200 HG LEU 25 HG LEU 25 3.104 3.298 3.298 201 1HD1 LEU 25 1HD1 LEU 25 5.795 1.901 1.901 202 2HD1 LEU 25 3HD1 LEU 25 5.427 3.548 3.548 203 3HD1 LEU 25 2HD1 LEU 25 5.379 3.108 3.108 204 1HD2 LEU 25 2HD2 LEU 25 2.331 1.776 1.776 205 2HD2 LEU 25 1HD2 LEU 25 3.622 2.827 2.827 206 3HD2 LEU 25 3HD2 LEU 25 3.962 1.150 1.150 207 H SER 26 H SER 26 1.185 2.026 2.026 208 HA SER 26 HA SER 26 0.722 4.527 4.527 209 1HB SER 26 2HB SER 26 0.386 4.193 4.193 210 2HB SER 26 1HB SER 26 0.029 5.670 5.670 211 HG SER 26 HG SER 26 2.384 5.005 5.005 212 H PHE 27 H PHE 27 -0.230 1.614 1.614 213 HA PHE 27 HA PHE 27 -3.141 2.319 2.319 214 1HB PHE 27 2HB PHE 27 -2.148 -0.402 -0.402 215 2HB PHE 27 1HB PHE 27 -3.742 0.060 0.060 216 HD1 PHE 27 2HD PHE 27 -1.473 1.791 1.791 217 HD2 PHE 27 1HD PHE 27 -3.199 -2.032 -2.032 218 HE1 PHE 27 2HE PHE 27 -1.015 1.110 1.110 219 HE2 PHE 27 1HE PHE 27 -2.738 -2.697 -2.697 220 HZ PHE 27 HZ PHE 27 -1.641 -1.144 -1.144 221 H CYS 28 H CYS 28 -1.051 1.065 1.065 222 HA CYS 28 HA CYS 28 -3.306 1.686 1.686 223 1HB CYS 28 2HB CYS 28 -0.919 0.293 0.293 224 2HB CYS 28 1HB CYS 28 -2.598 -0.163 -0.163 225 H ARG 29 H ARG 29 -2.211 3.725 3.725 226 HA ARG 29 HA ARG 29 -0.015 5.109 5.109 227 1HB ARG 29 2HB ARG 29 -2.874 5.850 5.850 228 2HB ARG 29 1HB ARG 29 -1.759 6.981 6.981 229 1HG ARG 29 2HG ARG 29 -2.077 7.733 7.733 230 2HG ARG 29 1HG ARG 29 -0.470 7.061 7.061 231 1HD ARG 29 2HD ARG 29 -1.122 5.105 5.105 232 2HD ARG 29 1HD ARG 29 -2.818 5.563 5.563 233 HE ARG 29 HE ARG 29 -0.622 7.037 7.037 234 1HH1 ARG 29 2HH1 ARG 29 -2.132 9.074 9.074 235 2HH1 ARG 29 1HH1 ARG 29 -3.513 8.858 8.858 236 1HH2 ARG 29 1HH2 ARG 29 -3.058 5.323 5.323 237 2HH2 ARG 29 2HH2 ARG 29 -4.078 6.521 6.521 238 H LYS 30 H LYS 30 -2.624 5.181 5.181 239 HA LYS 30 HA LYS 30 -0.716 5.874 5.874 240 1HB LYS 30 2HB LYS 30 -3.752 5.806 5.806 241 2HB LYS 30 1HB LYS 30 -2.721 6.417 6.417 242 1HG LYS 30 2HG LYS 30 -1.683 7.919 7.919 243 2HG LYS 30 1HG LYS 30 -3.167 7.526 7.526 244 1HD LYS 30 2HD LYS 30 -4.491 8.394 8.394 245 2HD LYS 30 1HD LYS 30 -2.995 8.787 8.787 246 1HE LYS 30 2HE LYS 30 -2.402 10.229 10.229 247 2HE LYS 30 1HE LYS 30 -4.083 10.024 10.024 248 1HZ LYS 30 3HZ LYS 30 -4.054 10.736 10.736 249 2HZ LYS 30 2HZ LYS 30 -3.045 11.832 11.832 250 3HZ LYS 30 1HZ LYS 30 -4.671 11.625 11.625 251 H THR 31 H THR 31 -3.071 3.579 3.579 252 HA THR 31 HA THR 31 -3.392 1.895 1.895 253 HB THR 31 HB THR 31 -3.281 1.424 1.424 254 HG1 THR 31 1HG THR 31 -5.103 2.452 2.452 255 1HG2 THR 31 3HG2 THR 31 -2.728 -0.769 -0.769 256 2HG2 THR 31 2HG2 THR 31 -4.220 -0.498 -0.498 257 3HG2 THR 31 1HG2 THR 31 -4.290 -0.658 -0.658 258 H CYS 32 H CYS 32 -0.529 2.192 2.192 259 HA CYS 32 HA CYS 32 0.877 0.265 0.265 260 1HB CYS 32 2HB CYS 32 0.730 -0.673 -0.673 261 2HB CYS 32 1HB CYS 32 1.349 0.820 0.820 262 H GLY 33 H GLY 33 1.179 3.006 3.006 263 1HA GLY 33 2HA GLY 33 2.019 5.141 5.141 264 2HA GLY 33 1HA GLY 33 3.212 4.183 4.183 265 H THR 34 H THR 34 2.036 4.533 4.533 266 HA THR 34 HA THR 34 4.767 4.114 4.114 267 HB THR 34 HB THR 34 3.668 3.553 3.553 268 HG1 THR 34 1HG THR 34 2.291 4.838 4.838 269 1HG2 THR 34 3HG2 THR 34 2.616 2.050 2.050 270 2HG2 THR 34 2HG2 THR 34 1.309 3.209 3.209 271 3HG2 THR 34 1HG2 THR 34 1.566 2.352 2.352 272 H CYS 35 HN CYS 35 2.196 6.578 6.578 273 HA CYS 35 HA CYS 35 4.276 8.644 8.644 274 1HB CYS 35 2HB CYS 35 2.826 9.694 9.694 275 2HB CYS 35 1HB CYS 35 3.503 8.288 8.288 Start of MODEL 19 1 1H ARG 1 2H ARG 1 0.898 16.007 16.007 2 2H ARG 1 1H ARG 1 2.406 16.014 16.014 3 3H ARG 1 3H ARG 1 1.495 17.456 17.456 4 HA ARG 1 HA ARG 1 0.387 16.999 16.999 5 1HB ARG 1 2HB ARG 1 2.316 14.599 14.599 6 2HB ARG 1 1HB ARG 1 1.081 14.660 14.660 7 1HG ARG 1 2HG ARG 1 3.192 15.560 15.560 8 2HG ARG 1 1HG ARG 1 1.949 16.782 16.782 9 1HD ARG 1 2HD ARG 1 2.958 17.851 17.851 10 2HD ARG 1 1HD ARG 1 4.174 16.561 16.561 11 HE ARG 1 HE ARG 1 3.910 18.411 18.411 12 1HH1 ARG 1 1HH2 ARG 1 5.924 16.847 16.847 13 2HH1 ARG 1 2HH2 ARG 1 7.370 17.317 17.317 14 1HH2 ARG 1 1HH1 ARG 1 5.528 19.003 19.003 15 2HH2 ARG 1 2HH1 ARG 1 7.136 18.609 18.609 16 H SER 2 H SER 2 -1.082 14.965 14.965 17 HA SER 2 HA SER 2 -2.392 13.661 13.661 18 1HB SER 2 2HB SER 2 -4.046 14.765 14.765 19 2HB SER 2 1HB SER 2 -4.498 14.615 14.615 20 HG SER 2 HG SER 2 -3.757 16.798 16.798 21 H CYS 3 H CYS 3 -3.287 11.628 11.628 22 HA CYS 3 HA CYS 3 -3.518 10.548 10.548 23 1HB CYS 3 2HB CYS 3 -1.754 8.802 8.802 24 2HB CYS 3 1HB CYS 3 -1.013 10.383 10.383 25 H ILE 4 H ILE 4 -4.664 8.484 8.484 26 HA ILE 4 HA ILE 4 -5.532 7.863 7.863 27 HB ILE 4 HB ILE 4 -7.892 7.673 7.673 28 1HG1 ILE 4 2HG1 ILE 4 -8.193 9.165 9.165 29 2HG1 ILE 4 1HG1 ILE 4 -6.563 8.637 8.637 30 1HG2 ILE 4 1HG2 ILE 4 -7.219 9.715 9.715 31 2HG2 ILE 4 3HG2 ILE 4 -6.689 10.449 10.449 32 3HG2 ILE 4 2HG2 ILE 4 -8.387 10.089 10.089 33 1HD1 ILE 4 2HD1 ILE 4 -8.885 6.728 6.728 34 2HD1 ILE 4 1HD1 ILE 4 -8.222 7.102 7.102 35 3HD1 ILE 4 3HD1 ILE 4 -7.249 6.241 6.241 36 H ASP 5 H ASP 5 -6.166 5.688 5.688 37 HA ASP 5 HA ASP 5 -4.830 3.804 3.804 38 1HB ASP 5 2HB ASP 5 -6.796 3.217 3.217 39 2HB ASP 5 1HB ASP 5 -5.517 2.157 2.157 40 H THR 6 H THR 6 -5.961 2.017 2.017 41 HA THR 6 HA THR 6 -8.855 2.271 2.271 42 HB THR 6 HB THR 6 -7.668 3.788 3.788 43 HG1 THR 6 1HG THR 6 -9.345 2.902 2.902 44 1HG2 THR 6 3HG2 THR 6 -5.465 2.456 2.456 45 2HG2 THR 6 2HG2 THR 6 -6.360 1.215 1.215 46 3HG2 THR 6 1HG2 THR 6 -6.163 2.811 2.811 47 H ILE 7 H ILE 7 -7.020 0.675 0.675 48 HA ILE 7 HA ILE 7 -7.446 -1.971 -1.971 49 HB ILE 7 HB ILE 7 -5.083 -0.989 -0.989 50 1HG1 ILE 7 2HG1 ILE 7 -3.793 -2.909 -2.909 51 2HG1 ILE 7 1HG1 ILE 7 -5.135 -3.519 -3.519 52 1HG2 ILE 7 1HG2 ILE 7 -5.147 0.130 0.130 53 2HG2 ILE 7 3HG2 ILE 7 -5.069 -1.438 -1.438 54 3HG2 ILE 7 2HG2 ILE 7 -3.738 -0.867 -0.867 55 1HD1 ILE 7 3HD1 ILE 7 -5.129 -3.155 -3.155 56 2HD1 ILE 7 2HD1 ILE 7 -4.990 -4.701 -4.701 57 3HD1 ILE 7 1HD1 ILE 7 -6.477 -3.785 -3.785 58 HA PRO 8 HA PRO 8 -8.562 -3.334 -3.334 59 1HB PRO 8 2HB PRO 8 -7.884 -5.954 -5.954 60 2HB PRO 8 1HB PRO 8 -9.495 -5.309 -5.309 61 1HG PRO 8 2HG PRO 8 -7.071 -5.394 -5.394 62 2HG PRO 8 1HG PRO 8 -8.663 -6.140 -6.140 63 1HD PRO 8 2HD PRO 8 -8.400 -3.735 -3.735 64 2HD PRO 8 1HD PRO 8 -9.752 -3.919 -3.919 65 H LYS 9 H LYS 9 -7.093 -2.791 -2.791 66 HA LYS 9 HA LYS 9 -4.323 -2.532 -2.532 67 1HB LYS 9 2HB LYS 9 -5.670 -1.661 -1.661 68 2HB LYS 9 1HB LYS 9 -5.790 -3.286 -3.286 69 1HG LYS 9 2HG LYS 9 -3.004 -2.331 -2.331 70 2HG LYS 9 1HG LYS 9 -3.838 -1.622 -1.622 71 1HD LYS 9 2HD LYS 9 -4.005 -3.786 -3.786 72 2HD LYS 9 1HD LYS 9 -3.469 -4.632 -4.632 73 1HE LYS 9 2HE LYS 9 -1.562 -4.341 -4.341 74 2HE LYS 9 1HE LYS 9 -1.236 -3.565 -3.565 75 1HZ LYS 9 1HZ LYS 9 -2.585 -1.724 -1.724 76 2HZ LYS 9 3HZ LYS 9 -1.280 -2.364 -2.364 77 3HZ LYS 9 2HZ LYS 9 -1.035 -1.594 -1.594 78 H SER 10 H SER 10 -6.348 -5.094 -5.094 79 HA SER 10 HA SER 10 -4.814 -7.077 -7.077 80 1HB SER 10 2HB SER 10 -6.747 -7.788 -7.788 81 2HB SER 10 1HB SER 10 -6.771 -8.395 -8.395 82 HG SER 10 HG SER 10 -8.308 -6.894 -6.894 83 H ARG 11 H ARG 11 -4.920 -5.877 -5.877 84 HA ARG 11 HA ARG 11 -2.964 -7.825 -7.825 85 1HB ARG 11 2HB ARG 11 -5.121 -6.380 -6.380 86 2HB ARG 11 1HB ARG 11 -3.703 -5.532 -5.532 87 1HG ARG 11 2HG ARG 11 -4.279 -7.276 -7.276 88 2HG ARG 11 1HG ARG 11 -2.737 -7.623 -7.623 89 1HD ARG 11 2HD ARG 11 -4.247 -9.124 -9.124 90 2HD ARG 11 1HD ARG 11 -5.403 -8.999 -8.999 91 HE ARG 11 HE ARG 11 -2.587 -10.014 -10.014 92 1HH1 ARG 11 2HH1 ARG 11 -3.725 -9.716 -9.716 93 2HH1 ARG 11 1HH1 ARG 11 -4.702 -11.102 -11.102 94 1HH2 ARG 11 1HH2 ARG 11 -4.757 -11.890 -11.890 95 2HH2 ARG 11 2HH2 ARG 11 -5.327 -12.452 -12.452 96 H CYS 12 H CYS 12 -2.809 -5.328 -5.328 97 HA CYS 12 HA CYS 12 -0.194 -4.321 -4.321 98 1HB CYS 12 2HB CYS 12 -2.330 -2.915 -2.915 99 2HB CYS 12 1HB CYS 12 -0.954 -2.238 -2.238 100 H THR 13 H THR 13 -1.256 -6.635 -6.635 101 HA THR 13 HA THR 13 -0.688 -6.124 -6.124 102 HB THR 13 HB THR 13 -2.003 -8.177 -8.177 103 HG1 THR 13 1HG THR 13 -0.134 -9.710 -9.710 104 1HG2 THR 13 3HG2 THR 13 0.412 -9.114 -9.114 105 2HG2 THR 13 2HG2 THR 13 -1.078 -10.015 -10.015 106 3HG2 THR 13 1HG2 THR 13 -1.121 -8.596 -8.596 107 H ALA 14 H ALA 14 1.210 -6.681 -6.681 108 HA ALA 14 HA ALA 14 3.559 -5.553 -5.553 109 1HB ALA 14 2HB ALA 14 3.417 -8.178 -8.178 110 2HB ALA 14 1HB ALA 14 4.801 -7.102 -7.102 111 3HB ALA 14 3HB ALA 14 3.335 -6.572 -6.572 112 H PHE 15 H PHE 15 2.423 -8.644 -8.644 113 HA PHE 15 HA PHE 15 4.675 -9.839 -9.839 114 1HB PHE 15 2HB PHE 15 1.946 -10.407 -10.407 115 2HB PHE 15 1HB PHE 15 3.198 -11.521 -11.521 116 HD1 PHE 15 1HD PHE 15 3.349 -10.315 -10.315 117 HD2 PHE 15 2HD PHE 15 0.215 -11.855 -11.855 118 HE1 PHE 15 1HE PHE 15 2.088 -10.936 -10.936 119 HE2 PHE 15 2HE PHE 15 -1.033 -12.481 -12.481 120 HZ PHE 15 HZ PHE 15 -0.109 -12.020 -12.020 121 H GLN 16 H GLN 16 1.949 -8.082 -8.082 122 HA GLN 16 HA GLN 16 3.172 -7.797 -7.797 123 1HB GLN 16 2HB GLN 16 0.694 -6.321 -6.321 124 2HB GLN 16 1HB GLN 16 1.107 -6.500 -6.500 125 1HG GLN 16 2HG GLN 16 1.135 -9.091 -9.091 126 2HG GLN 16 1HG GLN 16 -0.344 -8.308 -8.308 127 1HE2 GLN 16 2HE2 GLN 16 -0.801 -8.027 -8.027 128 2HE2 GLN 16 1HE2 GLN 16 -0.255 -6.800 -6.800 129 H CYS 17 H CYS 17 2.346 -5.563 -5.563 130 HA CYS 17 HA CYS 17 3.382 -3.202 -3.202 131 1HB CYS 17 2HB CYS 17 3.094 -4.414 -4.414 132 2HB CYS 17 1HB CYS 17 4.250 -3.149 -3.149 133 H LYS 18 H LYS 18 5.199 -5.896 -5.896 134 HA LYS 18 HA LYS 18 7.706 -4.449 -4.449 135 1HB LYS 18 2HB LYS 18 7.393 -5.309 -5.309 136 2HB LYS 18 1HB LYS 18 7.099 -6.916 -6.916 137 1HG LYS 18 2HG LYS 18 9.722 -5.849 -5.849 138 2HG LYS 18 1HG LYS 18 9.572 -5.857 -5.857 139 1HD LYS 18 2HD LYS 18 9.244 -8.193 -8.193 140 2HD LYS 18 1HD LYS 18 8.681 -8.354 -8.354 141 1HE LYS 18 2HE LYS 18 11.557 -7.637 -7.637 142 2HE LYS 18 1HE LYS 18 11.009 -9.257 -9.257 143 1HZ LYS 18 1HZ LYS 18 10.102 -7.535 -7.535 144 2HZ LYS 18 3HZ LYS 18 11.725 -7.152 -7.152 145 3HZ LYS 18 2HZ LYS 18 11.269 -8.745 -8.745 146 H HIS 19 H HIS 19 5.862 -7.003 -7.003 147 HA HIS 19 HA HIS 19 8.228 -7.589 -7.589 148 1HB HIS 19 2HB HIS 19 6.449 -9.660 -9.660 149 2HB HIS 19 1HB HIS 19 7.134 -10.000 -10.000 150 HD1 HIS 19 1HD HIS 19 9.803 -9.655 -9.655 151 HD2 HIS 19 2HD HIS 19 8.057 -10.414 -10.414 152 HE1 HIS 19 1HE HIS 19 11.534 -10.554 -10.554 153 H SER 20 H SER 20 5.569 -6.039 -6.039 154 HA SER 20 HA SER 20 4.847 -6.819 -6.819 155 1HB SER 20 2HB SER 20 2.751 -6.470 -6.470 156 2HB SER 20 1HB SER 20 2.546 -6.949 -6.949 157 HG SER 20 HG SER 20 4.364 -8.575 -8.575 158 H MET 21 H MET 21 6.109 -4.676 -4.676 159 HA MET 21 HA MET 21 4.910 -2.262 -2.262 160 1HB MET 21 2HB MET 21 6.612 -2.772 -2.772 161 2HB MET 21 1HB MET 21 6.038 -1.176 -1.176 162 1HG MET 21 2HG MET 21 7.154 -1.885 -1.885 163 2HG MET 21 1HG MET 21 8.161 -2.802 -2.802 164 1HE MET 21 3HE MET 21 6.397 0.653 0.653 165 2HE MET 21 2HE MET 21 7.348 0.719 0.719 166 3HE MET 21 1HE MET 21 7.753 1.750 1.750 167 1HN DNP 22 HN DAP 22 3.900 -4.453 -4.453 168 HA DNP 22 HA DAP 22 2.314 -2.639 -2.639 169 1HB DNP 22 1HB DAP 22 0.939 -4.599 -4.599 170 2HB DNP 22 2HB DAP 22 1.556 -5.532 -5.532 171 1HG DNP 22 1HG DAP 22 2.665 -5.271 -5.271 172 2HG DNP 22 2HG DAP 22 3.241 -6.190 -6.190 173 3HG DNP 22 3HG DAP 22 3.779 -4.584 -4.584 174 H TYR 23 H TYR 23 1.977 -2.853 -2.853 175 HA TYR 23 HA TYR 23 -0.865 -2.092 -2.092 176 1HB TYR 23 2HB TYR 23 0.377 -3.696 -3.696 177 2HB TYR 23 1HB TYR 23 -1.319 -3.259 -3.259 178 HD1 TYR 23 1HD TYR 23 1.355 -5.246 -5.246 179 HD2 TYR 23 2HD TYR 23 -2.792 -4.435 -4.435 180 HE1 TYR 23 1HE TYR 23 0.945 -7.257 -7.257 181 HE2 TYR 23 2HE TYR 23 -3.218 -6.422 -6.422 182 HH TYR 23 HH TYR 23 -0.742 -8.745 -8.745 183 H ARG 24 H ARG 24 1.699 -2.187 -2.187 184 HA ARG 24 HA ARG 24 1.533 -0.013 -0.013 185 1HB ARG 24 2HB ARG 24 3.096 -1.804 -1.804 186 2HB ARG 24 1HB ARG 24 4.011 -1.066 -1.066 187 1HG ARG 24 2HG ARG 24 4.497 0.733 0.733 188 2HG ARG 24 1HG ARG 24 3.122 0.736 0.736 189 1HD ARG 24 2HD ARG 24 4.684 0.171 0.171 190 2HD ARG 24 1HD ARG 24 4.360 -1.447 -1.447 191 HE ARG 24 HE ARG 24 6.288 -0.994 -0.994 192 1HH1 ARG 24 1HH2 ARG 24 6.843 1.601 1.601 193 2HH1 ARG 24 2HH2 ARG 24 8.223 1.210 1.210 194 1HH2 ARG 24 2HH1 ARG 24 7.449 -2.245 -2.245 195 2HH2 ARG 24 1HH1 ARG 24 8.650 -1.250 -1.250 196 H LEU 25 H LEU 25 2.880 -0.112 -0.112 197 HA LEU 25 HA LEU 25 4.073 2.397 2.397 198 1HB LEU 25 2HB LEU 25 4.321 0.409 0.409 199 2HB LEU 25 1HB LEU 25 2.823 0.614 0.614 200 HG LEU 25 HG LEU 25 3.580 2.905 2.905 201 1HD1 LEU 25 3HD1 LEU 25 5.494 3.267 3.267 202 2HD1 LEU 25 2HD1 LEU 25 6.335 1.917 1.917 203 3HD1 LEU 25 1HD1 LEU 25 5.997 3.360 3.360 204 1HD2 LEU 25 3HD2 LEU 25 5.187 0.451 0.451 205 2HD2 LEU 25 2HD2 LEU 25 3.564 0.867 0.867 206 3HD2 LEU 25 1HD2 LEU 25 4.913 1.900 1.900 207 H SER 26 H SER 26 1.244 1.507 1.507 208 HA SER 26 HA SER 26 0.274 4.325 4.325 209 1HB SER 26 2HB SER 26 0.870 2.870 2.870 210 2HB SER 26 1HB SER 26 -0.729 3.598 3.598 211 HG SER 26 HG SER 26 1.807 4.793 4.793 212 H PHE 27 H PHE 27 -0.410 1.317 1.317 213 HA PHE 27 HA PHE 27 -3.387 1.787 1.787 214 1HB PHE 27 2HB PHE 27 -2.206 -0.784 -0.784 215 2HB PHE 27 1HB PHE 27 -3.798 -0.457 -0.457 216 HD1 PHE 27 1HD PHE 27 -0.362 0.095 0.095 217 HD2 PHE 27 2HD PHE 27 -4.282 -1.568 -1.568 218 HE1 PHE 27 1HE PHE 27 0.184 -0.682 -0.682 219 HE2 PHE 27 2HE PHE 27 -3.729 -2.362 -2.362 220 HZ PHE 27 HZ PHE 27 -1.493 -1.929 -1.929 221 H CYS 28 H CYS 28 -1.014 1.108 1.108 222 HA CYS 28 HA CYS 28 -3.149 1.596 1.596 223 1HB CYS 28 2HB CYS 28 -0.621 0.345 0.345 224 2HB CYS 28 1HB CYS 28 -2.286 -0.119 -0.119 225 H ARG 29 H ARG 29 -1.933 3.539 3.539 226 HA ARG 29 HA ARG 29 0.184 5.013 5.013 227 1HB ARG 29 2HB ARG 29 -2.657 5.577 5.577 228 2HB ARG 29 1HB ARG 29 -1.646 6.896 6.896 229 1HG ARG 29 2HG ARG 29 -0.304 6.844 6.844 230 2HG ARG 29 1HG ARG 29 -0.627 5.156 5.156 231 1HD ARG 29 2HD ARG 29 -2.507 5.521 5.521 232 2HD ARG 29 1HD ARG 29 -3.009 6.914 6.914 233 HE ARG 29 HE ARG 29 -1.779 8.328 8.328 234 1HH1 ARG 29 1HH2 ARG 29 0.720 8.194 8.194 235 2HH1 ARG 29 2HH2 ARG 29 0.996 7.102 7.102 236 1HH2 ARG 29 2HH1 ARG 29 -2.173 5.685 5.685 237 2HH2 ARG 29 1HH1 ARG 29 -0.672 5.763 5.763 238 H LYS 30 H LYS 30 -2.637 5.223 5.223 239 HA LYS 30 HA LYS 30 -0.977 6.449 6.449 240 1HB LYS 30 2HB LYS 30 -3.923 5.841 5.841 241 2HB LYS 30 1HB LYS 30 -2.982 7.151 7.151 242 1HG LYS 30 2HG LYS 30 -3.271 7.259 7.259 243 2HG LYS 30 1HG LYS 30 -4.790 7.298 7.298 244 1HD LYS 30 2HD LYS 30 -4.201 9.630 9.630 245 2HD LYS 30 1HD LYS 30 -3.715 9.197 9.197 246 1HE LYS 30 2HE LYS 30 -1.245 9.017 9.017 247 2HE LYS 30 1HE LYS 30 -1.795 9.423 9.423 248 1HZ LYS 30 1HZ LYS 30 -2.822 11.389 11.389 249 2HZ LYS 30 3HZ LYS 30 -1.181 11.233 11.233 250 3HZ LYS 30 2HZ LYS 30 -1.594 11.535 11.535 251 H THR 31 H THR 31 -3.210 3.933 3.933 252 HA THR 31 HA THR 31 -3.416 2.440 2.440 253 HB THR 31 HB THR 31 -3.275 1.562 1.562 254 HG1 THR 31 1HG THR 31 -5.186 2.597 2.597 255 1HG2 THR 31 2HG2 THR 31 -3.944 -0.182 -0.182 256 2HG2 THR 31 1HG2 THR 31 -4.048 -0.538 -0.538 257 3HG2 THR 31 3HG2 THR 31 -2.471 -0.386 -0.386 258 H CYS 32 H CYS 32 -0.546 2.503 2.503 259 HA CYS 32 HA CYS 32 0.651 0.578 0.578 260 1HB CYS 32 2HB CYS 32 0.719 0.001 0.001 261 2HB CYS 32 1HB CYS 32 1.819 1.349 1.349 262 H GLY 33 H GLY 33 1.101 3.600 3.600 263 1HA GLY 33 2HA GLY 33 1.924 5.512 5.512 264 2HA GLY 33 1HA GLY 33 3.057 4.372 4.372 265 H THR 34 H THR 34 2.109 5.156 5.156 266 HA THR 34 HA THR 34 5.024 5.270 5.270 267 HB THR 34 HB THR 34 3.750 5.327 5.327 268 HG1 THR 34 1HG THR 34 2.074 3.626 3.626 269 1HG2 THR 34 3HG2 THR 34 5.389 3.491 3.491 270 2HG2 THR 34 2HG2 THR 34 3.970 2.784 2.784 271 3HG2 THR 34 1HG2 THR 34 4.112 2.866 2.866 272 H CYS 35 HN CYS 35 1.993 7.240 7.240 273 HA CYS 35 HA CYS 35 3.754 9.582 9.582 274 1HB CYS 35 2HB CYS 35 1.813 10.270 10.270 275 2HB CYS 35 1HB CYS 35 2.957 9.157 9.157 Start of MODEL 20 1 1H ARG 1 2H ARG 1 -0.602 17.627 17.627 2 2H ARG 1 1H ARG 1 0.839 17.871 17.871 3 3H ARG 1 3H ARG 1 -0.428 19.008 19.008 4 HA ARG 1 HA ARG 1 -1.352 17.859 17.859 5 1HB ARG 1 2HB ARG 1 0.996 15.968 15.968 6 2HB ARG 1 1HB ARG 1 -0.157 15.590 15.590 7 1HG ARG 1 2HG ARG 1 1.321 18.260 18.260 8 2HG ARG 1 1HG ARG 1 2.064 16.794 16.794 9 1HD ARG 1 2HD ARG 1 0.081 16.445 16.445 10 2HD ARG 1 1HD ARG 1 -0.583 17.980 17.980 11 HE ARG 1 HE ARG 1 2.129 17.845 17.845 12 1HH1 ARG 1 1HH1 ARG 1 1.475 20.463 20.463 13 2HH1 ARG 1 2HH1 ARG 1 0.580 21.151 21.151 14 1HH2 ARG 1 1HH2 ARG 1 -0.076 17.940 17.940 15 2HH2 ARG 1 2HH2 ARG 1 -0.368 19.617 19.617 16 H SER 2 H SER 2 -2.747 15.884 15.884 17 HA SER 2 HA SER 2 -3.304 14.391 14.391 18 1HB SER 2 2HB SER 2 -5.422 15.475 15.475 19 2HB SER 2 1HB SER 2 -5.697 14.783 14.783 20 HG SER 2 HG SER 2 -5.275 16.706 16.706 21 H CYS 3 H CYS 3 -3.497 12.170 12.170 22 HA CYS 3 HA CYS 3 -4.011 11.199 11.199 23 1HB CYS 3 2HB CYS 3 -1.926 9.823 9.823 24 2HB CYS 3 1HB CYS 3 -1.607 11.519 11.519 25 H ILE 4 H ILE 4 -4.862 9.086 9.086 26 HA ILE 4 HA ILE 4 -5.215 8.022 8.022 27 HB ILE 4 HB ILE 4 -7.623 7.529 7.529 28 1HG1 ILE 4 2HG1 ILE 4 -8.483 9.112 9.112 29 2HG1 ILE 4 1HG1 ILE 4 -6.849 9.096 9.096 30 1HG2 ILE 4 3HG2 ILE 4 -7.069 9.537 9.537 31 2HG2 ILE 4 2HG2 ILE 4 -6.846 10.470 10.470 32 3HG2 ILE 4 1HG2 ILE 4 -8.435 9.850 9.850 33 1HD1 ILE 4 1HD1 ILE 4 -8.587 6.621 6.621 34 2HD1 ILE 4 3HD1 ILE 4 -8.232 7.389 7.389 35 3HD1 ILE 4 2HD1 ILE 4 -6.962 6.586 6.586 36 H ASP 5 H ASP 5 -5.828 5.937 5.937 37 HA ASP 5 HA ASP 5 -4.508 4.009 4.009 38 1HB ASP 5 2HB ASP 5 -6.439 3.546 3.546 39 2HB ASP 5 1HB ASP 5 -5.257 2.448 2.448 40 H THR 6 H THR 6 -5.833 2.194 2.194 41 HA THR 6 HA THR 6 -8.739 2.557 2.557 42 HB THR 6 HB THR 6 -7.850 3.988 3.988 43 HG1 THR 6 1HG THR 6 -8.727 1.415 1.415 44 1HG2 THR 6 2HG2 THR 6 -6.364 1.486 1.486 45 2HG2 THR 6 1HG2 THR 6 -6.441 3.037 3.037 46 3HG2 THR 6 3HG2 THR 6 -5.581 2.895 2.895 47 H ILE 7 H ILE 7 -6.809 0.919 0.919 48 HA ILE 7 HA ILE 7 -7.419 -1.707 -1.707 49 HB ILE 7 HB ILE 7 -4.990 -0.851 -0.851 50 1HG1 ILE 7 2HG1 ILE 7 -3.917 -2.962 -2.962 51 2HG1 ILE 7 1HG1 ILE 7 -5.491 -3.465 -3.465 52 1HG2 ILE 7 1HG2 ILE 7 -5.009 0.201 0.201 53 2HG2 ILE 7 3HG2 ILE 7 -5.103 -1.382 -1.382 54 3HG2 ILE 7 2HG2 ILE 7 -3.710 -0.941 -0.941 55 1HD1 ILE 7 2HD1 ILE 7 -6.311 -3.336 -3.336 56 2HD1 ILE 7 1HD1 ILE 7 -4.685 -2.905 -2.905 57 3HD1 ILE 7 3HD1 ILE 7 -5.010 -4.487 -4.487 58 HA PRO 8 HA PRO 8 -8.479 -2.965 -2.965 59 1HB PRO 8 2HB PRO 8 -8.293 -5.627 -5.627 60 2HB PRO 8 1HB PRO 8 -9.682 -4.775 -4.775 61 1HG PRO 8 2HG PRO 8 -7.006 -5.428 -5.428 62 2HG PRO 8 1HG PRO 8 -8.612 -5.976 -5.976 63 1HD PRO 8 2HD PRO 8 -7.678 -3.764 -3.764 64 2HD PRO 8 1HD PRO 8 -9.336 -3.692 -3.692 65 H LYS 9 H LYS 9 -7.097 -2.700 -2.700 66 HA LYS 9 HA LYS 9 -4.298 -2.759 -2.759 67 1HB LYS 9 2HB LYS 9 -5.568 -1.750 -1.750 68 2HB LYS 9 1HB LYS 9 -5.997 -3.344 -3.344 69 1HG LYS 9 2HG LYS 9 -3.072 -2.752 -2.752 70 2HG LYS 9 1HG LYS 9 -3.868 -2.063 -2.063 71 1HD LYS 9 2HD LYS 9 -4.364 -4.319 -4.319 72 2HD LYS 9 1HD LYS 9 -3.796 -5.059 -5.059 73 1HE LYS 9 2HE LYS 9 -1.977 -5.173 -5.173 74 2HE LYS 9 1HE LYS 9 -1.500 -4.116 -4.116 75 1HZ LYS 9 2HZ LYS 9 -2.858 -2.601 -2.601 76 2HZ LYS 9 1HZ LYS 9 -1.614 -3.484 -3.484 77 3HZ LYS 9 3HZ LYS 9 -1.258 -2.442 -2.442 78 H SER 10 H SER 10 -6.619 -5.053 -5.053 79 HA SER 10 HA SER 10 -5.447 -7.262 -7.262 80 1HB SER 10 2HB SER 10 -7.207 -7.660 -7.660 81 2HB SER 10 1HB SER 10 -7.406 -8.370 -8.370 82 HG SER 10 HG SER 10 -8.845 -6.770 -6.770 83 H ARG 11 H ARG 11 -5.173 -5.992 -5.992 84 HA ARG 11 HA ARG 11 -3.560 -8.194 -8.194 85 1HB ARG 11 2HB ARG 11 -5.234 -6.496 -6.496 86 2HB ARG 11 1HB ARG 11 -3.813 -5.465 -5.465 87 1HG ARG 11 2HG ARG 11 -3.888 -6.657 -6.657 88 2HG ARG 11 1HG ARG 11 -2.538 -7.198 -7.198 89 1HD ARG 11 2HD ARG 11 -3.797 -9.211 -9.211 90 2HD ARG 11 1HD ARG 11 -5.192 -8.682 -8.682 91 HE ARG 11 HE ARG 11 -2.496 -9.131 -9.131 92 1HH1 ARG 11 1HH2 ARG 11 -4.892 -8.312 -8.312 93 2HH1 ARG 11 2HH2 ARG 11 -5.437 -9.773 -9.773 94 1HH2 ARG 11 2HH1 ARG 11 -3.528 -11.666 -11.666 95 2HH2 ARG 11 1HH1 ARG 11 -4.579 -11.852 -11.852 96 H CYS 12 H CYS 12 -3.186 -5.002 -5.002 97 HA CYS 12 HA CYS 12 -0.208 -5.148 -5.148 98 1HB CYS 12 2HB CYS 12 -2.112 -2.949 -2.949 99 2HB CYS 12 1HB CYS 12 -0.761 -2.776 -2.776 100 H THR 13 H THR 13 -1.143 -7.018 -7.018 101 HA THR 13 HA THR 13 -1.206 -6.653 -6.653 102 HB THR 13 HB THR 13 -2.207 -8.697 -8.697 103 HG1 THR 13 1HG THR 13 -0.171 -10.106 -10.106 104 1HG2 THR 13 1HG2 THR 13 0.529 -9.367 -9.367 105 2HG2 THR 13 3HG2 THR 13 -0.898 -10.409 -10.409 106 3HG2 THR 13 2HG2 THR 13 -0.948 -8.910 -8.910 107 H ALA 14 H ALA 14 0.544 -7.730 -7.730 108 HA ALA 14 HA ALA 14 2.929 -6.221 -6.221 109 1HB ALA 14 2HB ALA 14 2.522 -8.805 -8.805 110 2HB ALA 14 1HB ALA 14 3.869 -7.698 -7.698 111 3HB ALA 14 3HB ALA 14 2.246 -7.178 -7.178 112 H PHE 15 H PHE 15 1.968 -8.962 -8.962 113 HA PHE 15 HA PHE 15 4.723 -9.866 -9.866 114 1HB PHE 15 2HB PHE 15 2.442 -11.121 -11.121 115 2HB PHE 15 1HB PHE 15 3.788 -11.866 -11.866 116 HD1 PHE 15 1HD PHE 15 3.520 -10.914 -10.914 117 HD2 PHE 15 2HD PHE 15 0.497 -12.128 -12.128 118 HE1 PHE 15 1HE PHE 15 2.047 -11.506 -11.506 119 HE2 PHE 15 2HE PHE 15 -0.975 -12.717 -12.717 120 HZ PHE 15 HZ PHE 15 -0.199 -12.403 -12.403 121 H GLN 16 H GLN 16 2.262 -7.885 -7.885 122 HA GLN 16 HA GLN 16 3.744 -7.857 -7.857 123 1HB GLN 16 2HB GLN 16 0.914 -6.791 -6.791 124 2HB GLN 16 1HB GLN 16 1.621 -7.270 -7.270 125 1HG GLN 16 2HG GLN 16 1.792 -9.559 -9.559 126 2HG GLN 16 1HG GLN 16 0.211 -8.861 -8.861 127 1HE2 GLN 16 2HE2 GLN 16 1.652 -10.639 -10.639 128 2HE2 GLN 16 1HE2 GLN 16 2.760 -10.080 -10.080 129 H CYS 17 H CYS 17 2.581 -5.983 -5.983 130 HA CYS 17 HA CYS 17 2.976 -3.320 -3.320 131 1HB CYS 17 2HB CYS 17 2.032 -4.072 -4.072 132 2HB CYS 17 1HB CYS 17 3.635 -4.302 -4.302 133 H LYS 18 H LYS 18 5.122 -5.702 -5.702 134 HA LYS 18 HA LYS 18 7.478 -3.838 -3.838 135 1HB LYS 18 2HB LYS 18 6.950 -5.760 -5.760 136 2HB LYS 18 1HB LYS 18 8.009 -6.635 -6.635 137 1HG LYS 18 2HG LYS 18 9.428 -5.580 -5.580 138 2HG LYS 18 1HG LYS 18 9.653 -4.739 -4.739 139 1HD LYS 18 2HD LYS 18 8.132 -2.907 -2.907 140 2HD LYS 18 1HD LYS 18 7.773 -3.780 -3.780 141 1HE LYS 18 2HE LYS 18 10.207 -3.645 -3.645 142 2HE LYS 18 1HE LYS 18 10.535 -2.749 -2.749 143 1HZ LYS 18 3HZ LYS 18 8.413 -1.477 -1.477 144 2HZ LYS 18 2HZ LYS 18 9.675 -1.763 -1.763 145 3HZ LYS 18 1HZ LYS 18 9.969 -0.873 -0.873 146 H HIS 19 H HIS 19 5.805 -6.122 -6.122 147 HA HIS 19 HA HIS 19 8.159 -6.438 -6.438 148 1HB HIS 19 2HB HIS 19 6.167 -8.623 -8.623 149 2HB HIS 19 1HB HIS 19 7.490 -8.757 -8.757 150 HD1 HIS 19 1HD HIS 19 9.882 -7.959 -7.959 151 HD2 HIS 19 2HD HIS 19 6.953 -9.504 -9.504 152 HE1 HIS 19 1HE HIS 19 10.944 -8.776 -8.776 153 H SER 20 H SER 20 4.591 -6.535 -6.535 154 HA SER 20 HA SER 20 4.539 -6.577 -6.577 155 1HB SER 20 2HB SER 20 2.341 -5.981 -5.981 156 2HB SER 20 1HB SER 20 2.133 -6.502 -6.502 157 HG SER 20 HG SER 20 2.232 -8.442 -8.442 158 H MET 21 H MET 21 5.816 -4.754 -4.754 159 HA MET 21 HA MET 21 5.136 -1.989 -1.989 160 1HB MET 21 2HB MET 21 7.306 -3.044 -3.044 161 2HB MET 21 1HB MET 21 6.379 -3.080 -3.080 162 1HG MET 21 2HG MET 21 7.632 -1.149 -1.149 163 2HG MET 21 1HG MET 21 6.100 -0.529 -0.529 164 1HE MET 21 3HE MET 21 5.565 0.498 0.498 165 2HE MET 21 2HE MET 21 6.615 1.202 1.202 166 3HE MET 21 1HE MET 21 6.611 1.859 1.859 167 1HN DNP 22 HN DAP 22 3.754 -4.292 -4.292 168 HA DNP 22 HA DAP 22 2.409 -2.315 -2.315 169 1HB DNP 22 1HB DAP 22 0.738 -4.014 -4.014 170 2HB DNP 22 2HB DAP 22 1.220 -4.966 -4.966 171 1HG DNP 22 1HG DAP 22 3.512 -4.419 -4.419 172 2HG DNP 22 2HG DAP 22 2.290 -5.049 -5.049 173 3HG DNP 22 3HG DAP 22 2.806 -5.924 -5.924 174 H TYR 23 H TYR 23 1.459 -3.695 -3.695 175 HA TYR 23 HA TYR 23 -0.866 -1.860 -1.860 176 1HB TYR 23 2HB TYR 23 -0.209 -3.483 -3.483 177 2HB TYR 23 1HB TYR 23 -1.766 -3.066 -3.066 178 HD1 TYR 23 2HD TYR 23 -2.050 -4.139 -4.139 179 HD2 TYR 23 1HD TYR 23 0.172 -5.737 -5.737 180 HE1 TYR 23 2HE TYR 23 -2.299 -6.398 -6.398 181 HE2 TYR 23 1HE TYR 23 -0.070 -7.957 -7.957 182 HH TYR 23 HH TYR 23 -0.968 -8.648 -8.648 183 H ARG 24 H ARG 24 1.972 -2.532 -2.532 184 HA ARG 24 HA ARG 24 2.154 -0.357 -0.357 185 1HB ARG 24 2HB ARG 24 3.175 -2.843 -2.843 186 2HB ARG 24 1HB ARG 24 4.517 -1.957 -1.957 187 1HG ARG 24 2HG ARG 24 3.274 -1.714 -1.714 188 2HG ARG 24 1HG ARG 24 4.760 -2.551 -2.551 189 1HD ARG 24 2HD ARG 24 4.235 0.433 0.433 190 2HD ARG 24 1HD ARG 24 5.309 -0.486 -0.486 191 HE ARG 24 HE ARG 24 5.720 -0.204 -0.204 192 1HH1 ARG 24 2HH1 ARG 24 7.477 -2.140 -2.140 193 2HH1 ARG 24 1HH1 ARG 24 8.876 -1.491 -1.491 194 1HH2 ARG 24 1HH2 ARG 24 6.929 1.444 1.444 195 2HH2 ARG 24 2HH2 ARG 24 8.527 0.818 0.818 196 H LEU 25 H LEU 25 1.944 0.208 0.208 197 HA LEU 25 HA LEU 25 4.208 2.174 2.174 198 1HB LEU 25 2HB LEU 25 4.205 0.700 0.700 199 2HB LEU 25 1HB LEU 25 2.534 0.741 0.741 200 HG LEU 25 HG LEU 25 2.875 3.227 3.227 201 1HD1 LEU 25 1HD1 LEU 25 5.823 2.497 2.497 202 2HD1 LEU 25 3HD1 LEU 25 5.206 3.992 3.992 203 3HD1 LEU 25 2HD1 LEU 25 4.953 3.636 3.636 204 1HD2 LEU 25 1HD2 LEU 25 4.594 1.157 1.157 205 2HD2 LEU 25 3HD2 LEU 25 2.870 1.415 1.415 206 3HD2 LEU 25 2HD2 LEU 25 4.012 2.666 2.666 207 H SER 26 H SER 26 1.220 2.068 2.068 208 HA SER 26 HA SER 26 0.386 4.556 4.556 209 1HB SER 26 2HB SER 26 -0.702 4.988 4.988 210 2HB SER 26 1HB SER 26 1.077 5.078 5.078 211 HG SER 26 HG SER 26 -0.519 3.242 3.242 212 H PHE 27 H PHE 27 -0.310 1.500 1.500 213 HA PHE 27 HA PHE 27 -3.287 2.041 2.041 214 1HB PHE 27 2HB PHE 27 -2.158 -0.628 -0.628 215 2HB PHE 27 1HB PHE 27 -3.760 -0.218 -0.218 216 HD1 PHE 27 2HD PHE 27 -1.437 1.484 1.484 217 HD2 PHE 27 1HD PHE 27 -3.292 -2.262 -2.262 218 HE1 PHE 27 2HE PHE 27 -1.001 0.747 0.747 219 HE2 PHE 27 1HE PHE 27 -2.853 -2.987 -2.987 220 HZ PHE 27 HZ PHE 27 -1.704 -1.481 -1.481 221 H CYS 28 H CYS 28 -1.027 1.018 1.018 222 HA CYS 28 HA CYS 28 -3.245 1.504 1.504 223 1HB CYS 28 2HB CYS 28 -0.861 0.060 0.060 224 2HB CYS 28 1HB CYS 28 -2.547 -0.353 -0.353 225 H ARG 29 H ARG 29 -1.996 3.470 3.470 226 HA ARG 29 HA ARG 29 0.269 4.649 4.649 227 1HB ARG 29 2HB ARG 29 -2.495 5.638 5.638 228 2HB ARG 29 1HB ARG 29 -1.166 6.749 6.749 229 1HG ARG 29 2HG ARG 29 -0.159 5.581 5.581 230 2HG ARG 29 1HG ARG 29 -1.647 4.671 4.671 231 1HD ARG 29 2HD ARG 29 -2.203 6.275 6.275 232 2HD ARG 29 1HD ARG 29 -2.750 7.034 7.034 233 HE ARG 29 HE ARG 29 -0.654 8.373 8.373 234 1HH1 ARG 29 2HH1 ARG 29 1.212 7.297 7.297 235 2HH1 ARG 29 1HH1 ARG 29 1.118 8.069 8.069 236 1HH2 ARG 29 1HH2 ARG 29 -2.217 9.088 9.088 237 2HH2 ARG 29 2HH2 ARG 29 -1.023 9.220 9.220 238 H LYS 30 H LYS 30 -2.470 4.944 4.944 239 HA LYS 30 HA LYS 30 -0.594 5.853 5.853 240 1HB LYS 30 2HB LYS 30 -3.644 5.827 5.827 241 2HB LYS 30 1HB LYS 30 -2.574 6.783 6.783 242 1HG LYS 30 2HG LYS 30 -2.917 7.132 7.132 243 2HG LYS 30 1HG LYS 30 -3.683 8.144 8.144 244 1HD LYS 30 2HD LYS 30 -1.292 8.661 8.661 245 2HD LYS 30 1HD LYS 30 -0.712 7.856 7.856 246 1HE LYS 30 2HE LYS 30 -2.026 9.408 9.408 247 2HE LYS 30 1HE LYS 30 -2.631 10.228 10.228 248 1HZ LYS 30 2HZ LYS 30 0.234 10.087 10.087 249 2HZ LYS 30 1HZ LYS 30 -0.177 10.660 10.660 250 3HZ LYS 30 3HZ LYS 30 -0.737 11.469 11.469 251 H THR 31 H THR 31 -2.277 3.279 3.279 252 HA THR 31 HA THR 31 -2.795 1.961 1.961 253 HB THR 31 HB THR 31 -2.813 1.103 1.103 254 HG1 THR 31 1HG THR 31 -4.564 2.150 2.150 255 1HG2 THR 31 3HG2 THR 31 -3.647 -0.426 -0.426 256 2HG2 THR 31 2HG2 THR 31 -3.856 -0.924 -0.924 257 3HG2 THR 31 1HG2 THR 31 -2.242 -0.892 -0.892 258 H CYS 32 H CYS 32 -0.077 2.213 2.213 259 HA CYS 32 HA CYS 32 1.322 0.205 0.205 260 1HB CYS 32 2HB CYS 32 1.163 -0.471 -0.471 261 2HB CYS 32 1HB CYS 32 2.091 0.948 0.948 262 H GLY 33 H GLY 33 1.727 3.156 3.156 263 1HA GLY 33 2HA GLY 33 2.506 5.107 5.107 264 2HA GLY 33 1HA GLY 33 3.737 4.003 4.003 265 H THR 34 H THR 34 2.476 4.932 4.932 266 HA THR 34 HA THR 34 5.240 5.385 5.385 267 HB THR 34 HB THR 34 3.878 5.090 5.090 268 HG1 THR 34 1HG THR 34 2.128 3.503 3.503 269 1HG2 THR 34 2HG2 THR 34 4.028 2.767 2.767 270 2HG2 THR 34 1HG2 THR 34 3.942 2.637 2.637 271 3HG2 THR 34 3HG2 THR 34 5.391 3.267 3.267 272 H CYS 35 HN CYS 35 1.962 6.859 6.859 273 HA CYS 35 HA CYS 35 3.329 9.321 9.321 274 1HB CYS 35 2HB CYS 35 1.623 9.632 9.632 275 2HB CYS 35 1HB CYS 35 1.538 7.904 7.904
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