NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
20286 | 2ff0 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H5* G 1 1H5* G 1 29.494 4.747 -0.937 2 2H5* G 1 2H5* G 1 29.206 3.155 -0.211 3 H4* G 1 H4* G 1 28.720 4.993 1.316 4 H3* G 1 H3* G 1 27.185 2.758 1.082 5 H1* G 1 H1* G 1 25.664 6.300 1.284 6 H8 G 1 H8 G 1 25.607 4.923 -2.344 7 H1 G 1 H1 G 1 21.712 9.883 -1.146 8 1H2 G 1 1H2 G 1 21.914 10.515 0.951 9 2H2 G 1 2H2 G 1 23.016 9.733 2.062 10 H5T G 1 H5T G 1 28.204 4.139 -2.450 11 1H2* G 1 1H2* G 1 25.428 3.668 -0.253 12 2H2* G 1 2H2* G 1 24.815 4.052 1.349 13 1H5* G 2 1H5* G 2 26.211 5.699 3.832 14 2H5* G 2 2H5* G 2 26.193 5.562 5.602 15 H4* G 2 H4* G 2 24.547 7.083 5.321 16 H3* G 2 H3* G 2 23.505 4.567 5.927 17 H1* G 2 H1* G 2 22.021 7.215 3.586 18 H8 G 2 H8 G 2 23.518 4.336 1.468 19 H1 G 2 H1 G 2 18.892 7.780 -1.354 20 1H2 G 2 1H2 G 2 18.091 9.270 0.061 21 2H2 G 2 2H2 G 2 18.695 9.424 1.695 22 1H2* G 2 1H2* G 2 22.362 4.186 3.888 23 2H2* G 2 2H2* G 2 21.165 5.223 4.651 24 1H5* C 3 1H5* C 3 20.896 8.559 6.746 25 2H5* C 3 2H5* C 3 20.383 8.216 8.411 26 H4* C 3 H4* C 3 18.762 9.638 7.427 27 H3* C 3 H3* C 3 17.948 7.404 8.652 28 H1* C 3 H1* C 3 16.618 8.146 5.052 29 1H4 C 3 1H4 C 3 18.516 4.455 0.281 30 2H4 C 3 2H4 C 3 19.694 3.638 1.284 31 H5 C 3 H5 C 3 20.049 4.204 3.611 32 H6 C 3 H6 C 3 19.370 5.679 5.431 33 1H2* C 3 1H2* C 3 17.829 5.943 6.765 34 2H2* C 3 2H2* C 3 16.185 6.569 6.768 35 1H5* T 4 1H5* T 4 15.983 9.073 4.867 36 2H5* T 4 2H5* T 4 15.496 10.216 6.137 37 H4* T 4 H4* T 4 14.138 10.924 4.476 38 H3* T 4 H3* T 4 12.680 9.748 6.362 39 1H2* T 4 1H2* T 4 12.648 7.512 5.511 40 2H2* T 4 2H2* T 4 11.176 8.139 4.780 41 H1* T 4 H1* T 4 12.184 8.484 2.671 42 H3 T 4 H3 T 4 13.251 4.591 0.786 43 1H5M T 4 1H5M T 4 15.177 3.786 5.398 44 2H5M T 4 2H5M T 4 16.301 3.532 4.040 45 3H5M T 4 3H5M T 4 16.420 5.006 5.033 46 H6 T 4 H6 T 4 14.552 6.674 4.876 47 1H5* C 5 1H5* C 5 11.308 9.704 1.463 48 2H5* C 5 2H5* C 5 10.124 10.946 1.926 49 H4* C 5 H4* C 5 9.223 9.760 0.087 50 H3* C 5 H3* C 5 7.690 10.063 2.235 51 H1* C 5 H1* C 5 8.112 6.457 0.832 52 1H4 C 5 1H4 C 5 11.920 2.292 3.710 53 2H4 C 5 2H4 C 5 12.039 3.311 5.131 54 H5 C 5 H5 C 5 11.014 5.503 5.266 55 H6 C 5 H6 C 5 9.691 7.164 4.065 56 1H2* C 5 1H2* C 5 8.310 8.057 3.413 57 2H2* C 5 2H2* C 5 6.867 7.518 2.567 58 1H5* A 6 1H5* A 6 6.533 7.601 -1.044 59 2H5* A 6 2H5* A 6 5.145 8.165 -1.994 60 H4* A 6 H4* A 6 5.059 6.029 -2.625 61 H3* A 6 H3* A 6 3.220 6.404 -0.540 62 H1* A 6 H1* A 6 5.464 3.291 -1.187 63 H8 A 6 H8 A 6 6.264 5.227 2.089 64 1H6 A 6 1H6 A 6 9.469 0.186 3.686 65 2H6 A 6 2H6 A 6 8.961 1.787 4.176 66 H2 A 6 H2 A 6 7.748 -0.499 -0.409 67 1H2* A 6 1H2* A 6 4.114 4.901 1.023 68 2H2* A 6 2H2* A 6 3.423 3.679 -0.036 69 1H5* G 7 1H5* G 7 4.920 2.931 -3.828 70 2H5* G 7 2H5* G 7 3.237 2.911 -4.400 71 H4* G 7 H4* G 7 4.559 0.886 -4.985 72 H3* G 7 H3* G 7 1.947 0.888 -4.477 73 H1* G 7 H1* G 7 4.188 -1.533 -2.404 74 H8 G 7 H8 G 7 3.221 1.704 -0.498 75 H1 G 7 H1 G 7 6.235 -2.824 2.913 76 1H2 G 7 1H2 G 7 6.786 -4.509 1.590 77 2H2 G 7 2H2 G 7 6.404 -4.512 -0.117 78 1H2* G 7 1H2* G 7 2.040 0.602 -2.092 79 2H2* G 7 2H2* G 7 1.860 -1.065 -2.620 80 1H5* G 8 1H5* G 8 4.897 -3.425 -4.749 81 2H5* G 8 2H5* G 8 3.650 -3.967 -5.892 82 H4* G 8 H4* G 8 4.875 -5.837 -4.920 83 H3* G 8 H3* G 8 2.236 -5.912 -5.327 84 H1* G 8 H1* G 8 3.571 -6.810 -1.783 85 H8 G 8 H8 G 8 1.839 -3.380 -2.033 86 H1 G 8 H1 G 8 3.935 -4.986 3.814 87 1H2 G 8 1H2 G 8 5.108 -6.849 3.713 88 2H2 G 8 2H2 G 8 5.369 -7.705 2.210 89 1H2* G 8 1H2* G 8 1.524 -5.056 -3.206 90 2H2* G 8 2H2* G 8 1.465 -6.787 -2.899 91 1H5* G 9 1H5* G 9 4.476 -8.156 -2.070 92 2H5* G 9 2H5* G 9 4.684 -9.471 -3.245 93 H4* G 9 H4* G 9 5.447 -10.498 -1.381 94 H3* G 9 H3* G 9 3.156 -11.616 -2.136 95 H1* G 9 H1* G 9 3.352 -10.334 1.627 96 H8 G 9 H8 G 9 1.693 -8.043 -1.008 97 H1 G 9 H1 G 9 0.956 -6.249 5.113 98 1H2 G 9 1H2 G 9 2.020 -7.645 6.445 99 2H2 G 9 2H2 G 9 2.912 -9.020 5.834 100 1H2* G 9 1H2* G 9 1.595 -10.383 -0.828 101 2H2* G 9 2H2* G 9 1.950 -11.672 0.312 102 1H5* C 10 1H5* C 10 4.697 -13.316 2.217 103 2H5* C 10 2H5* C 10 4.200 -15.021 2.213 104 H4* C 10 H4* C 10 3.892 -13.933 4.389 105 H3* C 10 H3* C 10 2.079 -15.641 3.218 106 H1* C 10 H1* C 10 1.104 -12.361 5.051 107 1H4 C 10 1H4 C 10 -2.086 -7.901 1.900 108 2H4 C 10 2H4 C 10 -1.849 -8.711 0.365 109 H5 C 10 H5 C 10 -0.575 -10.764 0.146 110 H6 C 10 H6 C 10 0.704 -12.452 1.354 111 1H2* C 10 1H2* C 10 0.409 -14.071 2.621 112 2H2* C 10 2H2* C 10 -0.056 -14.306 4.300 113 1H5* C 11 1H5* C 11 1.174 -12.470 6.543 114 2H5* C 11 2H5* C 11 2.171 -13.774 7.225 115 H4* C 11 H4* C 11 1.660 -12.754 9.160 116 H3* C 11 H3* C 11 0.254 -14.989 9.083 117 H1* C 11 H1* C 11 -1.949 -11.630 9.385 118 1H4 C 11 1H4 C 11 -4.512 -9.889 3.877 119 2H4 C 11 2H4 C 11 -3.719 -11.189 3.013 120 H5 C 11 H5 C 11 -2.244 -12.777 4.097 121 H6 C 11 H6 C 11 -1.197 -13.404 6.210 122 1H2* C 11 1H2* C 11 -1.755 -14.293 8.030 123 2H2* C 11 2H2* C 11 -2.196 -13.913 9.689 124 1H5* A 12 1H5* A 12 -0.719 -12.295 12.349 125 2H5* A 12 2H5* A 12 -0.781 -12.826 14.045 126 H4* A 12 H4* A 12 -2.480 -11.284 13.929 127 H3* A 12 H3* A 12 -3.309 -13.922 14.296 128 H1* A 12 H1* A 12 -5.091 -11.195 12.220 129 H8 A 12 H8 A 12 -3.715 -14.106 10.040 130 1H6 A 12 1H6 A 12 -7.214 -11.723 5.540 131 2H6 A 12 2H6 A 12 -6.102 -13.002 5.979 132 H2 A 12 H2 A 12 -7.696 -9.143 9.186 133 1H2* A 12 1H2* A 12 -4.520 -14.196 12.290 134 2H2* A 12 2H2* A 12 -5.744 -13.296 13.173 135 1H5* C 13 1H5* C 13 -5.483 -10.474 15.264 136 2H5* C 13 2H5* C 13 -6.359 -10.068 16.755 137 H4* C 13 H4* C 13 -7.506 -8.988 15.031 138 H3* C 13 H3* C 13 -8.901 -10.851 16.516 139 H1* C 13 H1* C 13 -9.251 -10.327 12.717 140 1H4 C 13 1H4 C 13 -8.247 -15.104 8.689 141 2H4 C 13 2H4 C 13 -7.373 -16.031 9.890 142 H5 C 13 H5 C 13 -7.008 -15.238 12.148 143 H6 C 13 H6 C 13 -7.401 -13.406 13.709 144 1H2* C 13 1H2* C 13 -9.144 -12.522 14.846 145 2H2* C 13 2H2* C 13 -10.505 -11.502 14.399 146 1H5* A 14 1H5* A 14 -11.375 -7.661 13.609 147 2H5* A 14 2H5* A 14 -12.622 -7.245 14.803 148 H4* A 14 H4* A 14 -13.512 -6.975 12.599 149 H3* A 14 H3* A 14 -14.926 -8.279 14.457 150 H1* A 14 H1* A 14 -14.490 -9.880 10.972 151 H8 A 14 H8 A 14 -12.053 -11.439 13.566 152 1H6 A 14 1H6 A 14 -11.122 -15.785 9.246 153 2H6 A 14 2H6 A 14 -10.720 -15.263 10.868 154 H2 A 14 H2 A 14 -13.951 -12.731 7.574 155 1H2* A 14 1H2* A 14 -14.169 -10.509 13.943 156 2H2* A 14 2H2* A 14 -15.656 -10.422 13.007 157 1H5* G 15 1H5* G 15 -16.703 -7.827 9.810 158 2H5* G 15 2H5* G 15 -18.334 -7.357 10.331 159 H4* G 15 H4* G 15 -18.386 -8.288 8.111 160 H3* G 15 H3* G 15 -20.173 -9.012 10.004 161 H1* G 15 H1* G 15 -18.376 -11.724 7.843 162 H8 G 15 H8 G 15 -16.823 -11.274 11.371 163 H1 G 15 H1 G 15 -15.310 -16.698 8.279 164 1H2 G 15 1H2 G 15 -16.301 -16.745 6.311 165 2H2 G 15 2H2 G 15 -17.342 -15.452 5.758 166 H3T G 15 H3T G 15 -20.722 -10.420 7.819 167 1H2* G 15 1H2* G 15 -19.221 -11.076 10.694 168 2H2* G 15 2H2* G 15 -20.204 -11.656 9.357 169 1H5* C 16 1H5* C 16 -14.828 -24.527 6.044 170 2H5* C 16 2H5* C 16 -13.532 -24.841 4.879 171 H4* C 16 H4* C 16 -15.261 -23.403 3.959 172 H3* C 16 H3* C 16 -12.643 -22.998 3.521 173 H1* C 16 H1* C 16 -14.869 -20.022 4.702 174 1H4 C 16 1H4 C 16 -13.893 -17.544 10.447 175 2H4 C 16 2H4 C 16 -12.898 -18.895 10.937 176 H5 C 16 H5 C 16 -12.436 -20.783 9.493 177 H6 C 16 H6 C 16 -12.831 -21.751 7.290 178 H5T C 16 H5T C 16 -12.192 -24.023 6.244 179 1H2* C 16 1H2* C 16 -12.207 -21.401 5.246 180 2H2* C 16 2H2* C 16 -12.637 -20.317 3.929 181 1H5* T 17 1H5* T 17 -15.785 -19.405 3.196 182 2H5* T 17 2H5* T 17 -15.795 -19.614 1.432 183 H4* T 17 H4* T 17 -16.536 -17.461 1.674 184 H3* T 17 H3* T 17 -14.183 -17.629 0.388 185 1H2* T 17 1H2* T 17 -12.680 -17.145 2.165 186 2H2* T 17 2H2* T 17 -13.008 -15.502 1.633 187 H1* T 17 H1* T 17 -14.537 -15.072 3.371 188 H3 T 17 H3 T 17 -12.753 -15.170 7.456 189 1H5M T 17 1H5M T 17 -10.511 -19.070 6.739 190 2H5M T 17 2H5M T 17 -10.276 -19.012 4.975 191 3H5M T 17 3H5M T 17 -11.639 -19.927 5.661 192 H6 T 17 H6 T 17 -12.601 -18.194 3.774 193 1H5* G 18 1H5* G 18 -15.816 -13.703 1.834 194 2H5* G 18 2H5* G 18 -15.951 -12.556 0.486 195 H4* G 18 H4* G 18 -15.699 -11.251 2.405 196 H3* G 18 H3* G 18 -13.678 -11.105 0.453 197 H1* G 18 H1* G 18 -13.321 -10.858 4.307 198 H8 G 18 H8 G 18 -11.824 -14.137 2.873 199 H1 G 18 H1 G 18 -9.678 -12.343 8.653 200 1H2 G 18 1H2 G 18 -10.597 -10.422 9.236 201 2H2 G 18 2H2 G 18 -11.730 -9.578 8.202 202 1H2* G 18 1H2* G 18 -11.850 -11.750 1.787 203 2H2* G 18 2H2* G 18 -12.016 -10.132 2.459 204 1H5* T 19 1H5* T 19 -14.948 -8.261 3.309 205 2H5* T 19 2H5* T 19 -15.426 -6.649 2.737 206 H4* T 19 H4* T 19 -15.127 -6.439 5.039 207 H3* T 19 H3* T 19 -13.636 -4.828 3.443 208 1H2* T 19 1H2* T 19 -11.538 -5.946 3.599 209 2H2* T 19 2H2* T 19 -11.417 -4.928 5.029 210 H1* T 19 H1* T 19 -12.074 -6.663 6.510 211 H3 T 19 H3 T 19 -8.633 -9.481 6.739 212 1H5M T 19 1H5M T 19 -8.764 -10.137 2.102 213 2H5M T 19 2H5M T 19 -10.224 -11.109 2.404 214 3H5M T 19 3H5M T 19 -10.361 -9.510 1.632 215 H6 T 19 H6 T 19 -11.576 -8.240 3.195 216 1H5* G 20 1H5* G 20 -12.467 -4.046 7.761 217 2H5* G 20 2H5* G 20 -12.344 -2.305 8.080 218 H4* G 20 H4* G 20 -10.439 -3.279 9.019 219 H3* G 20 H3* G 20 -10.063 -1.433 6.912 220 H1* G 20 H1* G 20 -8.025 -4.469 7.952 221 H8 G 20 H8 G 20 -9.441 -4.993 4.360 222 H1 G 20 H1 G 20 -4.822 -9.033 6.261 223 1H2 G 20 1H2 G 20 -4.223 -8.560 8.334 224 2H2 G 20 2H2 G 20 -4.957 -7.254 9.240 225 1H2* G 20 1H2* G 20 -8.885 -2.894 5.469 226 2H2* G 20 2H2* G 20 -7.555 -2.543 6.564 227 1H5* G 21 1H5* G 21 -7.061 -4.296 8.829 228 2H5* G 21 2H5* G 21 -7.388 -3.079 10.080 229 H4* G 21 H4* G 21 -5.638 -4.044 11.085 230 H3* G 21 H3* G 21 -4.765 -1.722 10.114 231 H1* G 21 H1* G 21 -2.730 -4.935 9.248 232 H8 G 21 H8 G 21 -4.956 -3.644 6.360 233 H1 G 21 H1 G 21 -1.222 -8.684 5.005 234 1H2 G 21 1H2 G 21 -0.166 -9.357 6.822 235 2H2 G 21 2H2 G 21 -0.380 -8.566 8.369 236 1H2* G 21 1H2* G 21 -4.004 -2.484 7.968 237 2H2* G 21 2H2* G 21 -2.516 -2.588 8.897 238 1H5* C 22 1H5* C 22 -1.943 -4.567 12.257 239 2H5* C 22 2H5* C 22 -1.072 -3.695 13.535 240 H4* C 22 H4* C 22 0.215 -5.589 13.055 241 H3* C 22 H3* C 22 1.442 -3.212 12.877 242 H1* C 22 H1* C 22 1.839 -5.774 9.953 243 1H4 C 22 1H4 C 22 -0.779 -4.409 4.356 244 2H4 C 22 2H4 C 22 -1.626 -3.028 5.013 245 H5 C 22 H5 C 22 -1.521 -2.411 7.347 246 H6 C 22 H6 C 22 -0.570 -2.981 9.518 247 1H2* C 22 1H2* C 22 1.243 -2.844 10.524 248 2H2* C 22 2H2* C 22 2.787 -3.684 10.571 249 1H5* C 23 1H5* C 23 3.202 -7.167 10.590 250 2H5* C 23 2H5* C 23 4.318 -7.294 11.967 251 H4* C 23 H4* C 23 5.390 -8.483 10.307 252 H3* C 23 H3* C 23 6.777 -6.387 11.192 253 H1* C 23 H1* C 23 6.211 -6.644 7.277 254 1H4 C 23 1H4 C 23 2.176 -2.466 4.780 255 2H4 C 23 2H4 C 23 1.739 -1.841 6.355 256 H5 C 23 H5 C 23 2.642 -2.732 8.419 257 H6 C 23 H6 C 23 4.129 -4.408 9.384 258 1H2* C 23 1H2* C 23 6.124 -4.727 9.614 259 2H2* C 23 2H2* C 23 7.516 -5.387 8.767 260 1H5* C 24 1H5* C 24 7.725 -8.563 7.201 261 2H5* C 24 2H5* C 24 9.195 -9.353 7.809 262 H4* C 24 H4* C 24 9.334 -9.576 5.505 263 H3* C 24 H3* C 24 11.399 -8.331 6.604 264 H1* C 24 H1* C 24 9.586 -6.451 3.655 265 1H4 C 24 1H4 C 24 5.850 -1.557 5.099 266 2H4 C 24 2H4 C 24 6.202 -1.713 6.805 267 H5 C 24 H5 C 24 7.608 -3.466 7.705 268 H6 C 24 H6 C 24 8.952 -5.425 7.154 269 1H2* C 24 1H2* C 24 10.621 -6.066 6.477 270 2H2* C 24 2H2* C 24 11.525 -6.172 4.974 271 1H5* T 25 1H5* T 25 10.927 -8.742 2.473 272 2H5* T 25 2H5* T 25 12.062 -9.579 1.393 273 H4* T 25 H4* T 25 10.954 -8.203 -0.055 274 H3* T 25 H3* T 25 13.604 -7.486 0.367 275 1H2* T 25 1H2* T 25 13.217 -5.413 1.460 276 2H2* T 25 2H2* T 25 13.045 -4.868 -0.203 277 H1* T 25 H1* T 25 10.642 -5.115 -0.171 278 H3 T 25 H3 T 25 9.139 -1.537 2.006 279 1H5M T 25 1H5M T 25 11.093 -3.959 5.953 280 2H5M T 25 2H5M T 25 12.720 -3.819 5.245 281 3H5M T 25 3H5M T 25 11.806 -2.353 5.675 282 H6 T 25 H6 T 25 12.031 -5.113 3.274 283 1H5* G 26 1H5* G 26 11.405 -5.938 -2.834 284 2H5* G 26 2H5* G 26 11.762 -6.151 -4.559 285 H4* G 26 H4* G 26 10.922 -4.068 -4.640 286 H3* G 26 H3* G 26 13.739 -3.961 -4.713 287 H1* G 26 H1* G 26 11.226 -1.541 -3.203 288 H8 G 26 H8 G 26 13.166 -3.254 -0.305 289 H1 G 26 H1 G 26 10.524 2.449 1.015 290 1H2 G 26 1H2 G 26 9.514 3.239 -0.783 291 2H2 G 26 2H2 G 26 9.496 2.368 -2.300 292 1H2* G 26 1H2* G 26 14.029 -2.691 -2.735 293 2H2* G 26 2H2* G 26 13.573 -1.368 -3.800 294 1H5* A 27 1H5* A 27 10.895 -1.098 -6.984 295 2H5* A 27 2H5* A 27 11.667 -0.634 -8.514 296 H4* A 27 H4* A 27 10.009 0.993 -7.861 297 H3* A 27 H3* A 27 12.402 1.733 -8.800 298 H1* A 27 H1* A 27 11.190 3.294 -5.398 299 H8 A 27 H8 A 27 13.360 0.104 -4.952 300 1H6 A 27 1H6 A 27 14.504 2.290 0.718 301 2H6 A 27 2H6 A 27 14.788 0.977 -0.406 302 H2 A 27 H2 A 27 11.857 5.235 -1.399 303 1H2* A 27 1H2* A 27 13.590 2.017 -6.748 304 2H2* A 27 2H2* A 27 12.943 3.641 -6.941 305 1H5* G 28 1H5* G 28 10.731 4.751 -6.328 306 2H5* G 28 2H5* G 28 9.930 5.932 -7.386 307 H4* G 28 H4* G 28 10.404 7.353 -5.733 308 H3* G 28 H3* G 28 12.454 7.544 -7.654 309 H1* G 28 H1* G 28 12.708 7.811 -3.808 310 H8 G 28 H8 G 28 14.429 4.620 -5.195 311 H1 G 28 H1 G 28 16.291 6.493 0.658 312 1H2 G 28 1H2 G 28 15.226 8.324 1.248 313 2H2 G 28 2H2 G 28 14.055 9.099 0.205 314 1H2* G 28 1H2* G 28 14.267 6.930 -6.285 315 2H2* G 28 2H2* G 28 14.064 8.550 -5.631 316 1H5* C 29 1H5* C 29 11.653 10.365 -4.760 317 2H5* C 29 2H5* C 29 11.361 12.111 -4.901 318 H4* C 29 H4* C 29 12.450 11.915 -2.882 319 H3* C 29 H3* C 29 13.918 13.194 -4.910 320 H1* C 29 H1* C 29 15.208 10.920 -2.068 321 1H4 C 29 1H4 C 29 18.982 6.033 -3.492 322 2H4 C 29 2H4 C 29 18.306 5.897 -5.098 323 H5 C 29 H5 C 29 16.634 7.420 -5.956 324 H6 C 29 H6 C 29 15.238 9.348 -5.432 325 1H2* C 29 1H2* C 29 15.768 11.734 -4.963 326 2H2* C 29 2H2* C 29 16.210 12.574 -3.483 327 1H5* C 30 1H5* C 30 14.825 13.425 -0.635 328 2H5* C 30 2H5* C 30 14.554 15.080 -0.050 329 H4* C 30 H4* C 30 15.940 14.224 1.556 330 H3* C 30 H3* C 30 17.051 16.244 0.180 331 H1* C 30 H1* C 30 19.090 12.987 0.791 332 1H4 C 30 1H4 C 30 20.603 9.282 -4.112 333 2H4 C 30 2H4 C 30 19.415 10.045 -5.150 334 H5 C 30 H5 C 30 17.989 11.856 -4.404 335 H6 C 30 H6 C 30 17.398 13.282 -2.514 336 H3T C 30 H3T C 30 17.355 16.121 2.334 337 1H2* C 30 1H2* C 30 18.339 14.984 -1.386 338 2H2* C 30 2H2* C 30 19.518 15.162 -0.093 339 1H ASP 10 1H ASP 10 -5.022 12.105 10.657 340 HA ASP 10 HA ASP 10 -7.677 12.453 11.846 341 1HB ASP 10 1HB ASP 10 -7.217 14.905 11.475 342 2HB ASP 10 2HB ASP 10 -6.127 14.104 12.601 343 H GLU 11 H GLU 11 -6.306 11.812 8.882 344 HA GLU 11 HA GLU 11 -8.533 13.105 7.476 345 1HB GLU 11 1HB GLU 11 -5.965 11.977 6.364 346 2HB GLU 11 2HB GLU 11 -7.261 12.674 5.404 347 1HG GLU 11 1HG GLU 11 -6.974 14.794 6.556 348 2HG GLU 11 2HG GLU 11 -5.631 14.110 7.468 349 H LEU 12 H LEU 12 -9.805 11.965 6.067 350 HA LEU 12 HA LEU 12 -9.872 9.065 6.561 351 1HB LEU 12 1HB LEU 12 -12.144 10.911 5.809 352 2HB LEU 12 2HB LEU 12 -12.279 9.191 6.115 353 HG LEU 12 HG LEU 12 -11.504 11.278 8.156 354 1HD1 LEU 12 1HD1 LEU 12 -13.678 10.781 9.154 355 2HD1 LEU 12 2HD1 LEU 12 -14.046 9.695 7.816 356 3HD1 LEU 12 3HD1 LEU 12 -13.849 11.422 7.520 357 1HD2 LEU 12 1HD2 LEU 12 -11.992 8.317 8.458 358 2HD2 LEU 12 2HD2 LEU 12 -11.699 9.454 9.774 359 3HD2 LEU 12 3HD2 LEU 12 -10.434 9.132 8.588 360 H CYS 13 H CYS 13 -10.436 7.700 4.814 361 HA CYS 13 HA CYS 13 -9.288 8.400 2.328 362 1HB CYS 13 1HB CYS 13 -11.206 6.131 2.889 363 2HB CYS 13 2HB CYS 13 -10.049 6.233 1.567 364 HG CYS 13 HG CYS 13 -9.022 6.206 4.822 365 HA PRO 14 HA PRO 14 -12.710 10.513 0.455 366 1HB PRO 14 1HB PRO 14 -11.946 10.229 -2.158 367 2HB PRO 14 2HB PRO 14 -11.260 11.424 -1.055 368 1HG PRO 14 1HG PRO 14 -10.165 8.781 -1.909 369 2HG PRO 14 2HG PRO 14 -9.318 10.314 -1.640 370 1HD PRO 14 1HD PRO 14 -9.294 8.282 0.158 371 2HD PRO 14 2HD PRO 14 -9.189 9.989 0.631 372 H VAL 15 H VAL 15 -11.951 7.214 -0.050 373 HA VAL 15 HA VAL 15 -14.467 6.799 -1.482 374 HB VAL 15 HB VAL 15 -12.973 5.700 -2.768 375 1HG1 VAL 15 1HG1 VAL 15 -11.010 4.464 -2.054 376 2HG1 VAL 15 2HG1 VAL 15 -11.381 4.871 -0.382 377 3HG1 VAL 15 3HG1 VAL 15 -10.995 6.147 -1.534 378 1HG2 VAL 15 1HG2 VAL 15 -13.674 3.556 -0.794 379 2HG2 VAL 15 2HG2 VAL 15 -13.049 3.274 -2.418 380 3HG2 VAL 15 3HG2 VAL 15 -14.619 4.048 -2.200 381 H CYS 16 H CYS 16 -12.772 4.580 0.701 382 HA CYS 16 HA CYS 16 -15.235 3.599 1.700 383 1HB CYS 16 1HB CYS 16 -13.911 2.190 3.161 384 2HB CYS 16 2HB CYS 16 -13.201 2.216 1.550 385 HG CYS 16 HG CYS 16 -11.660 2.589 4.277 386 H GLY 17 H GLY 17 -12.964 5.977 2.914 387 1HA GLY 17 1HA GLY 17 -13.612 7.752 4.316 388 2HA GLY 17 2HA GLY 17 -14.993 6.803 4.840 389 H ASP 18 H ASP 18 -12.053 5.062 4.873 390 HA ASP 18 HA ASP 18 -12.103 5.022 7.766 391 1HB ASP 18 1HB ASP 18 -10.303 3.587 5.807 392 2HB ASP 18 2HB ASP 18 -10.240 3.378 7.553 393 H LYS 19 H LYS 19 -10.097 5.217 9.004 394 HA LYS 19 HA LYS 19 -8.806 7.693 8.578 395 1HB LYS 19 1HB LYS 19 -8.224 5.385 10.431 396 2HB LYS 19 2HB LYS 19 -7.239 6.838 10.410 397 1HG LYS 19 1HG LYS 19 -8.796 7.031 12.195 398 2HG LYS 19 2HG LYS 19 -9.289 8.155 10.930 399 1HD LYS 19 1HD LYS 19 -10.962 6.518 10.162 400 2HD LYS 19 2HD LYS 19 -10.488 5.441 11.478 401 1HE LYS 19 1HE LYS 19 -11.187 7.081 13.114 402 2HE LYS 19 2HE LYS 19 -11.564 8.235 11.835 403 1HZ LYS 19 1HZ LYS 19 -12.915 5.624 12.252 404 2HZ LYS 19 2HZ LYS 19 -13.275 6.735 11.027 405 3HZ LYS 19 3HZ LYS 19 -13.553 7.144 12.650 406 H VAL 20 H VAL 20 -7.019 8.202 7.475 407 HA VAL 20 HA VAL 20 -5.968 6.217 5.702 408 HB VAL 20 HB VAL 20 -4.700 8.008 4.684 409 1HG1 VAL 20 1HG1 VAL 20 -6.553 9.485 4.067 410 2HG1 VAL 20 2HG1 VAL 20 -7.496 8.854 5.418 411 3HG1 VAL 20 3HG1 VAL 20 -7.034 7.789 4.089 412 1HG2 VAL 20 1HG2 VAL 20 -4.784 10.303 5.542 413 2HG2 VAL 20 2HG2 VAL 20 -3.990 9.214 6.680 414 3HG2 VAL 20 3HG2 VAL 20 -5.650 9.734 6.970 415 H SER 21 H SER 21 -4.054 5.203 5.712 416 HA SER 21 HA SER 21 -2.392 5.497 8.078 417 1HB SER 21 1HB SER 21 -1.193 3.486 7.008 418 2HB SER 21 2HB SER 21 -2.838 3.231 7.587 419 HG SER 21 HG SER 21 -2.366 2.394 5.434 420 H GLY 22 H GLY 22 -2.544 6.638 4.909 421 1HA GLY 22 1HA GLY 22 -0.698 8.518 4.925 422 2HA GLY 22 2HA GLY 22 0.335 7.110 4.725 423 H TYR 23 H TYR 23 0.924 8.286 2.739 424 HA TYR 23 HA TYR 23 -0.946 8.515 0.603 425 1HB TYR 23 1HB TYR 23 2.015 8.800 0.876 426 2HB TYR 23 2HB TYR 23 1.328 8.631 -0.734 427 HD1 TYR 23 HD1 TYR 23 0.438 10.473 -1.836 428 HD2 TYR 23 HD2 TYR 23 1.101 10.691 2.359 429 HE1 TYR 23 HE1 TYR 23 -0.076 12.875 -1.887 430 HE2 TYR 23 HE2 TYR 23 0.588 13.094 2.320 431 HH TYR 23 HH TYR 23 -0.593 14.677 -0.599 432 H HIS 24 H HIS 24 -1.848 6.811 -0.309 433 HA HIS 24 HA HIS 24 -0.058 4.690 -1.281 434 1HB HIS 24 1HB HIS 24 -2.839 4.198 -0.187 435 2HB HIS 24 2HB HIS 24 -1.766 2.990 -0.875 436 HD1 HIS 24 HD1 HIS 24 0.808 3.515 0.671 437 HD2 HIS 24 HD2 HIS 24 -2.964 3.538 2.411 438 HE1 HIS 24 HE1 HIS 24 1.180 2.985 3.099 439 HE2 HIS 24 HE2 HIS 24 -1.140 2.720 4.047 440 H TYR 25 H TYR 25 -0.185 4.543 -3.415 441 HA TYR 25 HA TYR 25 -0.979 4.441 -5.526 442 1HB TYR 25 1HB TYR 25 -3.694 4.290 -4.196 443 2HB TYR 25 2HB TYR 25 -3.354 3.896 -5.879 444 HD1 TYR 25 HD1 TYR 25 -3.069 2.781 -2.412 445 HD2 TYR 25 HD2 TYR 25 -2.112 1.859 -6.450 446 HE1 TYR 25 HE1 TYR 25 -2.508 0.485 -1.748 447 HE2 TYR 25 HE2 TYR 25 -1.548 -0.442 -5.798 448 HH TYR 25 HH TYR 25 -0.827 -1.655 -3.771 449 H GLY 26 H GLY 26 -0.823 7.043 -3.981 450 1HA GLY 26 1HA GLY 26 -0.684 9.123 -5.137 451 2HA GLY 26 2HA GLY 26 -2.054 8.631 -6.118 452 H LEU 27 H LEU 27 -2.790 7.807 -3.008 453 HA LEU 27 HA LEU 27 -3.979 10.418 -2.388 454 1HB LEU 27 1HB LEU 27 -5.383 7.865 -2.977 455 2HB LEU 27 2HB LEU 27 -6.042 8.896 -1.722 456 HG LEU 27 HG LEU 27 -5.482 9.928 -4.489 457 1HD1 LEU 27 1HD1 LEU 27 -8.033 8.726 -3.424 458 2HD1 LEU 27 2HD1 LEU 27 -6.999 8.021 -4.666 459 3HD1 LEU 27 3HD1 LEU 27 -7.841 9.538 -4.978 460 1HD2 LEU 27 1HD2 LEU 27 -5.770 11.592 -2.742 461 2HD2 LEU 27 2HD2 LEU 27 -7.279 10.824 -2.242 462 3HD2 LEU 27 3HD2 LEU 27 -7.162 11.592 -3.828 463 H LEU 28 H LEU 28 -4.645 10.689 -0.210 464 HA LEU 28 HA LEU 28 -3.371 9.106 1.788 465 1HB LEU 28 1HB LEU 28 -5.610 11.133 1.957 466 2HB LEU 28 2HB LEU 28 -4.960 10.312 3.357 467 HG LEU 28 HG LEU 28 -3.973 12.453 3.309 468 1HD1 LEU 28 1HD1 LEU 28 -1.595 11.969 3.033 469 2HD1 LEU 28 2HD1 LEU 28 -2.001 10.476 2.186 470 3HD1 LEU 28 3HD1 LEU 28 -2.439 10.675 3.884 471 1HD2 LEU 28 1HD2 LEU 28 -3.282 11.935 0.422 472 2HD2 LEU 28 2HD2 LEU 28 -2.742 13.324 1.366 473 3HD2 LEU 28 3HD2 LEU 28 -4.459 13.095 1.038 474 H THR 29 H THR 29 -3.941 7.038 2.002 475 HA THR 29 HA THR 29 -6.787 6.403 2.215 476 HB THR 29 HB THR 29 -6.331 4.308 0.834 477 HG1 THR 29 HG1 THR 29 -4.322 5.683 -0.509 478 1HG2 THR 29 1HG2 THR 29 -6.672 5.465 -1.305 479 2HG2 THR 29 2HG2 THR 29 -6.182 6.989 -0.563 480 3HG2 THR 29 3HG2 THR 29 -7.657 6.180 -0.029 481 H CYS 30 H CYS 30 -7.121 4.184 3.087 482 HA CYS 30 HA CYS 30 -5.193 3.697 5.224 483 1HB CYS 30 1HB CYS 30 -7.000 2.336 6.214 484 2HB CYS 30 2HB CYS 30 -7.538 3.975 5.859 485 HG CYS 30 HG CYS 30 -9.641 2.234 5.292 486 H GLU 31 H GLU 31 -5.138 1.243 5.873 487 HA GLU 31 HA GLU 31 -3.966 -0.177 3.706 488 1HB GLU 31 1HB GLU 31 -4.761 -1.124 6.463 489 2HB GLU 31 2HB GLU 31 -3.813 -2.064 5.318 490 1HG GLU 31 1HG GLU 31 -3.036 0.522 6.642 491 2HG GLU 31 2HG GLU 31 -2.325 -1.072 6.894 492 H SER 32 H SER 32 -7.173 0.054 4.939 493 HA SER 32 HA SER 32 -8.225 -2.349 3.890 494 1HB SER 32 1HB SER 32 -9.409 -0.869 5.533 495 2HB SER 32 2HB SER 32 -9.677 0.290 4.231 496 HG SER 32 HG SER 32 -11.036 -1.969 4.834 497 H CYS 33 H CYS 33 -7.974 0.937 2.543 498 HA CYS 33 HA CYS 33 -9.072 0.327 0.014 499 1HB CYS 33 1HB CYS 33 -7.052 2.443 0.798 500 2HB CYS 33 2HB CYS 33 -7.867 2.369 -0.760 501 HG CYS 33 HG CYS 33 -9.410 2.873 2.258 502 H LYS 34 H LYS 34 -5.727 0.575 1.120 503 HA LYS 34 HA LYS 34 -4.401 -0.151 -1.193 504 1HB LYS 34 1HB LYS 34 -3.246 0.781 0.669 505 2HB LYS 34 2HB LYS 34 -3.747 -0.528 1.724 506 1HG LYS 34 1HG LYS 34 -2.213 -2.023 0.780 507 2HG LYS 34 2HG LYS 34 -1.952 -0.992 -0.633 508 1HD LYS 34 1HD LYS 34 -0.647 0.515 0.540 509 2HD LYS 34 2HD LYS 34 -1.341 0.061 2.096 510 1HE LYS 34 1HE LYS 34 0.421 -1.759 0.470 511 2HE LYS 34 2HE LYS 34 1.036 -0.662 1.708 512 1HZ LYS 34 1HZ LYS 34 -0.866 -2.903 2.108 513 2HZ LYS 34 2HZ LYS 34 -0.468 -1.776 3.309 514 3HZ LYS 34 3HZ LYS 34 0.726 -2.803 2.674 515 H GLY 35 H GLY 35 -5.433 -2.302 1.464 516 1HA GLY 35 1HA GLY 35 -4.479 -4.682 0.286 517 2HA GLY 35 2HA GLY 35 -5.677 -4.578 1.565 518 H PHE 36 H PHE 36 -7.756 -3.279 0.337 519 HA PHE 36 HA PHE 36 -8.940 -5.430 -1.078 520 1HB PHE 36 1HB PHE 36 -10.250 -3.888 0.323 521 2HB PHE 36 2HB PHE 36 -9.900 -2.573 -0.792 522 HD1 PHE 36 HD1 PHE 36 -11.230 -2.219 -2.694 523 HD2 PHE 36 HD2 PHE 36 -11.601 -5.847 -0.500 524 HE1 PHE 36 HE1 PHE 36 -13.230 -2.803 -4.003 525 HE2 PHE 36 HE2 PHE 36 -13.600 -6.436 -1.806 526 HZ PHE 36 HZ PHE 36 -14.417 -4.913 -3.560 527 H PHE 37 H PHE 37 -7.529 -2.362 -2.090 528 HA PHE 37 HA PHE 37 -8.385 -2.393 -4.760 529 1HB PHE 37 1HB PHE 37 -7.217 -0.509 -3.430 530 2HB PHE 37 2HB PHE 37 -5.715 -1.295 -3.903 531 HD1 PHE 37 HD1 PHE 37 -4.682 -0.016 -5.512 532 HD2 PHE 37 HD2 PHE 37 -8.887 -0.631 -5.743 533 HE1 PHE 37 HE1 PHE 37 -4.740 1.202 -7.649 534 HE2 PHE 37 HE2 PHE 37 -8.950 0.581 -7.880 535 HZ PHE 37 HZ PHE 37 -6.876 1.502 -8.836 536 H LYS 38 H LYS 38 -5.383 -3.623 -3.266 537 HA LYS 38 HA LYS 38 -4.315 -4.753 -5.606 538 1HB LYS 38 1HB LYS 38 -4.010 -5.654 -2.746 539 2HB LYS 38 2HB LYS 38 -3.068 -6.282 -4.087 540 1HG LYS 38 1HG LYS 38 -2.455 -3.772 -4.453 541 2HG LYS 38 2HG LYS 38 -2.937 -3.626 -2.758 542 1HD LYS 38 1HD LYS 38 -0.776 -5.358 -3.935 543 2HD LYS 38 2HD LYS 38 -0.610 -4.067 -2.743 544 1HE LYS 38 1HE LYS 38 -1.513 -5.358 -1.035 545 2HE LYS 38 2HE LYS 38 -2.299 -6.467 -2.158 546 1HZ LYS 38 1HZ LYS 38 0.563 -6.316 -1.443 547 2HZ LYS 38 2HZ LYS 38 0.032 -7.120 -2.833 548 3HZ LYS 38 3HZ LYS 38 -0.489 -7.639 -1.308 549 H ARG 39 H ARG 39 -6.385 -6.191 -3.093 550 HA ARG 39 HA ARG 39 -6.436 -8.786 -4.085 551 1HB ARG 39 1HB ARG 39 -8.481 -7.240 -2.513 552 2HB ARG 39 2HB ARG 39 -8.695 -8.936 -2.928 553 1HG ARG 39 1HG ARG 39 -6.587 -9.455 -1.766 554 2HG ARG 39 2HG ARG 39 -6.465 -7.761 -1.292 555 1HD ARG 39 1HD ARG 39 -8.567 -7.934 -0.079 556 2HD ARG 39 2HD ARG 39 -8.743 -9.610 -0.595 557 HE ARG 39 HE ARG 39 -6.991 -8.585 1.476 558 1HH1 ARG 39 1HH1 ARG 39 -7.753 -11.275 -0.634 559 2HH1 ARG 39 2HH1 ARG 39 -7.063 -12.470 0.426 560 1HH2 ARG 39 1HH2 ARG 39 -6.109 -10.154 2.886 561 2HH2 ARG 39 2HH2 ARG 39 -6.141 -11.836 2.437 562 H THR 40 H THR 40 -8.275 -5.975 -5.058 563 HA THR 40 HA THR 40 -10.035 -7.465 -6.759 564 HB THR 40 HB THR 40 -9.515 -4.487 -6.747 565 HG1 THR 40 HG1 THR 40 -10.223 -5.065 -4.706 566 1HG2 THR 40 1HG2 THR 40 -11.766 -4.344 -7.711 567 2HG2 THR 40 2HG2 THR 40 -11.878 -6.104 -7.719 568 3HG2 THR 40 3HG2 THR 40 -10.694 -5.290 -8.743 569 H VAL 41 H VAL 41 -7.383 -5.142 -7.381 570 HA VAL 41 HA VAL 41 -7.587 -5.456 -10.202 571 HB VAL 41 HB VAL 41 -5.281 -4.257 -8.665 572 1HG1 VAL 41 1HG1 VAL 41 -5.009 -2.886 -10.717 573 2HG1 VAL 41 2HG1 VAL 41 -6.247 -3.873 -11.497 574 3HG1 VAL 41 3HG1 VAL 41 -4.727 -4.609 -10.982 575 1HG2 VAL 41 1HG2 VAL 41 -6.429 -2.116 -8.909 576 2HG2 VAL 41 2HG2 VAL 41 -7.393 -3.253 -7.965 577 3HG2 VAL 41 3HG2 VAL 41 -7.802 -2.935 -9.650 578 H GLN 42 H GLN 42 -5.299 -6.755 -7.792 579 HA GLN 42 HA GLN 42 -3.491 -7.824 -9.693 580 1HB GLN 42 1HB GLN 42 -3.979 -8.677 -6.839 581 2HB GLN 42 2HB GLN 42 -2.615 -9.173 -7.825 582 1HG GLN 42 1HG GLN 42 -2.036 -6.725 -8.029 583 2HG GLN 42 2HG GLN 42 -3.249 -6.431 -6.785 584 1HE2 GLN 42 1HE2 GLN 42 -2.547 -9.065 -5.535 585 2HE2 GLN 42 2HE2 GLN 42 -1.077 -8.767 -4.676 586 H ASN 43 H ASN 43 -6.210 -9.237 -7.949 587 HA ASN 43 HA ASN 43 -5.800 -11.833 -9.144 588 1HB ASN 43 1HB ASN 43 -8.045 -10.788 -7.405 589 2HB ASN 43 2HB ASN 43 -7.900 -12.455 -7.950 590 1HD2 ASN 43 1HD2 ASN 43 -6.789 -10.062 -5.750 591 2HD2 ASN 43 2HD2 ASN 43 -5.758 -11.091 -4.808 592 H ASN 44 H ASN 44 -6.797 -9.117 -10.474 593 HA ASN 44 HA ASN 44 -8.020 -8.530 -12.283 594 1HB ASN 44 1HB ASN 44 -7.656 -11.472 -12.728 595 2HB ASN 44 2HB ASN 44 -8.639 -10.526 -13.838 596 1HD2 ASN 44 1HD2 ASN 44 -5.455 -11.228 -12.725 597 2HD2 ASN 44 2HD2 ASN 44 -4.614 -10.284 -13.911 598 H LYS 45 H LYS 45 -9.457 -8.723 -9.939 599 HA LYS 45 HA LYS 45 -11.918 -10.133 -10.427 600 1HB LYS 45 1HB LYS 45 -11.023 -8.190 -8.316 601 2HB LYS 45 2HB LYS 45 -12.686 -8.743 -8.416 602 1HG LYS 45 1HG LYS 45 -11.960 -11.040 -8.116 603 2HG LYS 45 2HG LYS 45 -10.278 -10.511 -8.060 604 1HD LYS 45 1HD LYS 45 -10.563 -9.430 -6.005 605 2HD LYS 45 2HD LYS 45 -12.320 -9.415 -6.157 606 1HE LYS 45 1HE LYS 45 -11.496 -11.061 -4.503 607 2HE LYS 45 2HE LYS 45 -12.426 -11.791 -5.810 608 1HZ LYS 45 1HZ LYS 45 -10.441 -13.071 -5.276 609 2HZ LYS 45 2HZ LYS 45 -9.462 -11.736 -5.644 610 3HZ LYS 45 3HZ LYS 45 -10.377 -12.478 -6.865 611 H HIS 46 H HIS 46 -13.839 -9.311 -11.039 612 HA HIS 46 HA HIS 46 -14.063 -6.462 -11.626 613 1HB HIS 46 1HB HIS 46 -15.005 -6.946 -13.888 614 2HB HIS 46 2HB HIS 46 -13.295 -7.329 -13.747 615 HD1 HIS 46 HD1 HIS 46 -16.636 -8.879 -14.313 616 HD2 HIS 46 HD2 HIS 46 -12.680 -10.084 -13.878 617 HE1 HIS 46 HE1 HIS 46 -16.558 -11.258 -15.120 618 HE2 HIS 46 HE2 HIS 46 -14.118 -11.878 -15.071 619 H TYR 47 H TYR 47 -15.993 -5.713 -11.046 620 HA TYR 47 HA TYR 47 -18.132 -7.685 -10.590 621 1HB TYR 47 1HB TYR 47 -17.371 -5.333 -8.844 622 2HB TYR 47 2HB TYR 47 -18.814 -6.317 -8.618 623 HD1 TYR 47 HD1 TYR 47 -18.591 -8.693 -7.937 624 HD2 TYR 47 HD2 TYR 47 -15.227 -6.095 -8.118 625 HE1 TYR 47 HE1 TYR 47 -17.306 -10.273 -6.562 626 HE2 TYR 47 HE2 TYR 47 -13.931 -7.669 -6.742 627 HH TYR 47 HH TYR 47 -14.965 -10.856 -6.123 628 H THR 48 H THR 48 -20.293 -6.423 -10.219 629 HA THR 48 HA THR 48 -20.505 -3.968 -11.754 630 HB THR 48 HB THR 48 -22.120 -6.386 -12.602 631 HG1 THR 48 HG1 THR 48 -19.595 -5.668 -13.258 632 1HG2 THR 48 1HG2 THR 48 -22.758 -4.971 -14.501 633 2HG2 THR 48 2HG2 THR 48 -21.799 -3.647 -13.839 634 3HG2 THR 48 3HG2 THR 48 -23.220 -4.225 -12.970 635 H CYS 49 H CYS 49 -22.107 -2.714 -10.945 636 HA CYS 49 HA CYS 49 -23.794 -3.860 -8.860 637 1HB CYS 49 1HB CYS 49 -22.520 -1.685 -8.532 638 2HB CYS 49 2HB CYS 49 -23.619 -0.960 -9.700 639 HG CYS 49 HG CYS 49 -25.452 -0.367 -8.013 640 H THR 50 H THR 50 -25.985 -4.042 -9.043 641 HA THR 50 HA THR 50 -27.067 -4.379 -11.606 642 HB THR 50 HB THR 50 -28.756 -3.886 -9.164 643 HG1 THR 50 HG1 THR 50 -27.682 -6.436 -9.785 644 1HG2 THR 50 1HG2 THR 50 -30.167 -5.612 -10.192 645 2HG2 THR 50 2HG2 THR 50 -29.020 -5.757 -11.522 646 3HG2 THR 50 3HG2 THR 50 -29.913 -4.255 -11.288 647 H GLU 51 H GLU 51 -27.718 -1.850 -9.188 648 HA GLU 51 HA GLU 51 -28.353 -0.025 -11.393 649 1HB GLU 51 1HB GLU 51 -29.825 -0.084 -8.760 650 2HB GLU 51 2HB GLU 51 -30.157 0.961 -10.126 651 1HG GLU 51 1HG GLU 51 -30.803 -0.976 -11.465 652 2HG GLU 51 2HG GLU 51 -30.486 -2.030 -10.088 653 H SER 52 H SER 52 -28.057 2.216 -10.807 654 HA SER 52 HA SER 52 -26.522 3.809 -10.328 655 1HB SER 52 1HB SER 52 -26.277 4.267 -7.860 656 2HB SER 52 2HB SER 52 -27.936 4.160 -8.440 657 HG SER 52 HG SER 52 -27.008 1.736 -7.649 658 H GLN 53 H GLN 53 -24.729 2.951 -11.383 659 HA GLN 53 HA GLN 53 -22.910 1.106 -10.292 660 1HB GLN 53 1HB GLN 53 -22.373 3.355 -12.240 661 2HB GLN 53 2HB GLN 53 -21.297 2.001 -11.930 662 1HG GLN 53 1HG GLN 53 -23.049 0.468 -12.745 663 2HG GLN 53 2HG GLN 53 -24.050 1.867 -13.135 664 1HE2 GLN 53 1HE2 GLN 53 -23.011 -0.181 -14.905 665 2HE2 GLN 53 2HE2 GLN 53 -22.046 0.640 -16.089 666 H SER 54 H SER 54 -23.443 4.438 -9.643 667 HA SER 54 HA SER 54 -21.130 4.409 -7.825 668 1HB SER 54 1HB SER 54 -22.430 6.825 -9.109 669 2HB SER 54 2HB SER 54 -21.042 6.848 -8.018 670 HG SER 54 HG SER 54 -20.661 5.143 -10.096 671 H CYS 55 H CYS 55 -22.500 3.342 -6.316 672 HA CYS 55 HA CYS 55 -24.815 4.638 -5.237 673 1HB CYS 55 1HB CYS 55 -23.105 2.454 -4.019 674 2HB CYS 55 2HB CYS 55 -24.730 2.903 -3.518 675 HG CYS 55 HG CYS 55 -24.816 2.165 -6.708 676 H LYS 56 H LYS 56 -24.753 4.913 -2.688 677 HA LYS 56 HA LYS 56 -22.781 6.904 -2.082 678 1HB LYS 56 1HB LYS 56 -25.000 5.626 -0.498 679 2HB LYS 56 2HB LYS 56 -23.856 6.735 0.246 680 1HG LYS 56 1HG LYS 56 -25.593 7.401 -2.117 681 2HG LYS 56 2HG LYS 56 -25.975 7.798 -0.442 682 1HD LYS 56 1HD LYS 56 -23.449 8.698 -1.815 683 2HD LYS 56 2HD LYS 56 -24.931 9.650 -1.812 684 1HE LYS 56 1HE LYS 56 -23.642 10.516 -0.052 685 2HE LYS 56 2HE LYS 56 -24.850 9.497 0.723 686 1HZ LYS 56 1HZ LYS 56 -23.209 7.770 1.006 687 2HZ LYS 56 2HZ LYS 56 -22.612 9.214 1.656 688 3HZ LYS 56 3HZ LYS 56 -22.049 8.669 0.154 689 H ILE 57 H ILE 57 -20.745 6.212 -1.820 690 HA ILE 57 HA ILE 57 -20.171 3.677 -0.600 691 HB ILE 57 HB ILE 57 -18.223 5.900 -1.235 692 1HG1 ILE 57 1HG1 ILE 57 -19.450 5.225 -3.249 693 2HG1 ILE 57 2HG1 ILE 57 -17.781 4.671 -3.324 694 1HG2 ILE 57 1HG2 ILE 57 -17.819 2.944 -0.777 695 2HG2 ILE 57 2HG2 ILE 57 -17.353 4.243 0.322 696 3HG2 ILE 57 3HG2 ILE 57 -16.563 4.090 -1.248 697 1HD1 ILE 57 1HD1 ILE 57 -19.308 2.975 -4.141 698 2HD1 ILE 57 2HD1 ILE 57 -20.175 2.992 -2.605 699 3HD1 ILE 57 3HD1 ILE 57 -18.504 2.430 -2.669 700 H ASP 58 H ASP 58 -20.919 3.676 1.428 701 HA ASP 58 HA ASP 58 -19.724 5.597 3.314 702 1HB ASP 58 1HB ASP 58 -22.425 4.264 3.293 703 2HB ASP 58 2HB ASP 58 -21.723 4.858 4.794 704 H LYS 59 H LYS 59 -20.093 4.342 5.685 705 HA LYS 59 HA LYS 59 -17.944 2.495 5.596 706 1HB LYS 59 1HB LYS 59 -19.687 3.621 7.709 707 2HB LYS 59 2HB LYS 59 -18.908 2.089 8.077 708 1HG LYS 59 1HG LYS 59 -17.588 3.963 8.882 709 2HG LYS 59 2HG LYS 59 -16.726 3.075 7.629 710 1HD LYS 59 1HD LYS 59 -16.442 5.454 7.294 711 2HD LYS 59 2HD LYS 59 -17.413 4.781 5.984 712 1HE LYS 59 1HE LYS 59 -18.351 6.890 6.724 713 2HE LYS 59 2HE LYS 59 -19.449 5.565 7.108 714 1HZ LYS 59 1HZ LYS 59 -17.622 6.959 8.990 715 2HZ LYS 59 2HZ LYS 59 -18.553 5.599 9.391 716 3HZ LYS 59 3HZ LYS 59 -19.317 7.048 8.961 717 H THR 60 H THR 60 -21.424 2.082 5.761 718 HA THR 60 HA THR 60 -21.162 -0.787 6.095 719 HB THR 60 HB THR 60 -23.713 -0.673 5.831 720 HG1 THR 60 HG1 THR 60 -24.599 1.241 5.572 721 1HG2 THR 60 1HG2 THR 60 -24.009 0.127 8.135 722 2HG2 THR 60 2HG2 THR 60 -22.383 0.810 8.103 723 3HG2 THR 60 3HG2 THR 60 -22.609 -0.936 7.994 724 H GLN 61 H GLN 61 -22.300 1.489 3.635 725 HA GLN 61 HA GLN 61 -23.147 -0.558 1.845 726 1HB GLN 61 1HB GLN 61 -22.876 2.423 1.611 727 2HB GLN 61 2HB GLN 61 -23.377 1.426 0.250 728 1HG GLN 61 1HG GLN 61 -25.315 0.687 1.399 729 2HG GLN 61 2HG GLN 61 -24.759 1.388 2.916 730 1HE2 GLN 61 1HE2 GLN 61 -27.215 1.779 1.326 731 2HE2 GLN 61 2HE2 GLN 61 -27.322 3.494 1.073 732 H ARG 62 H ARG 62 -20.080 0.634 2.520 733 HA ARG 62 HA ARG 62 -18.962 0.366 -0.105 734 1HB ARG 62 1HB ARG 62 -16.809 0.570 0.971 735 2HB ARG 62 2HB ARG 62 -17.912 1.738 1.685 736 1HG ARG 62 1HG ARG 62 -18.284 0.098 3.550 737 2HG ARG 62 2HG ARG 62 -16.965 -0.858 2.870 738 1HD ARG 62 1HD ARG 62 -15.501 1.140 3.066 739 2HD ARG 62 2HD ARG 62 -16.819 1.975 3.886 740 HE ARG 62 HE ARG 62 -16.224 -0.497 5.161 741 1HH1 ARG 62 1HH1 ARG 62 -15.241 2.857 4.915 742 2HH1 ARG 62 2HH1 ARG 62 -14.260 2.796 6.347 743 1HH2 ARG 62 1HH2 ARG 62 -14.962 -0.540 7.073 744 2HH2 ARG 62 2HH2 ARG 62 -14.103 0.895 7.561 745 H LYS 63 H LYS 63 -20.072 -1.812 2.200 746 HA LYS 63 HA LYS 63 -18.266 -3.967 1.454 747 1HB LYS 63 1HB LYS 63 -20.602 -3.872 3.365 748 2HB LYS 63 2HB LYS 63 -19.540 -5.252 3.142 749 1HG LYS 63 1HG LYS 63 -18.583 -2.552 4.030 750 2HG LYS 63 2HG LYS 63 -19.060 -3.824 5.141 751 1HD LYS 63 1HD LYS 63 -16.876 -4.033 3.072 752 2HD LYS 63 2HD LYS 63 -16.619 -3.711 4.787 753 1HE LYS 63 1HE LYS 63 -17.935 -6.171 3.663 754 2HE LYS 63 2HE LYS 63 -16.257 -6.072 4.177 755 1HZ LYS 63 1HZ LYS 63 -18.630 -5.667 5.923 756 2HZ LYS 63 2HZ LYS 63 -17.009 -5.575 6.420 757 3HZ LYS 63 3HZ LYS 63 -17.647 -7.051 5.887 758 H ARG 64 H ARG 64 -21.541 -2.886 0.856 759 HA ARG 64 HA ARG 64 -22.409 -5.429 -0.165 760 1HB ARG 64 1HB ARG 64 -24.479 -4.239 -0.797 761 2HB ARG 64 2HB ARG 64 -24.055 -4.032 0.894 762 1HG ARG 64 1HG ARG 64 -23.390 -1.804 0.561 763 2HG ARG 64 2HG ARG 64 -23.354 -1.995 -1.194 764 1HD ARG 64 1HD ARG 64 -25.829 -2.144 0.525 765 2HD ARG 64 2HD ARG 64 -25.331 -0.739 -0.420 766 HE ARG 64 HE ARG 64 -25.500 -3.066 -2.050 767 1HH1 ARG 64 1HH1 ARG 64 -27.517 -0.671 -0.461 768 2HH1 ARG 64 2HH1 ARG 64 -28.784 -0.781 -1.650 769 1HH2 ARG 64 1HH2 ARG 64 -27.156 -3.231 -3.566 770 2HH2 ARG 64 2HH2 ARG 64 -28.591 -2.257 -3.413 771 H CYS 65 H CYS 65 -21.202 -2.447 -1.539 772 HA CYS 65 HA CYS 65 -21.459 -3.663 -4.206 773 1HB CYS 65 1HB CYS 65 -21.462 -0.747 -3.426 774 2HB CYS 65 2HB CYS 65 -21.394 -1.322 -5.087 775 HG CYS 65 HG CYS 65 -23.941 -1.203 -5.342 776 HA PRO 66 HA PRO 66 -16.913 -3.548 -3.617 777 1HB PRO 66 1HB PRO 66 -17.057 -5.612 -5.713 778 2HB PRO 66 2HB PRO 66 -16.292 -5.680 -4.123 779 1HG PRO 66 1HG PRO 66 -18.534 -7.053 -4.672 780 2HG PRO 66 2HG PRO 66 -18.230 -6.355 -3.069 781 1HD PRO 66 1HD PRO 66 -19.980 -5.342 -5.280 782 2HD PRO 66 2HD PRO 66 -20.282 -5.377 -3.530 783 H PHE 67 H PHE 67 -18.798 -3.810 -6.603 784 HA PHE 67 HA PHE 67 -16.877 -2.784 -8.373 785 1HB PHE 67 1HB PHE 67 -18.820 -3.924 -9.229 786 2HB PHE 67 2HB PHE 67 -19.898 -2.746 -8.490 787 HD1 PHE 67 HD1 PHE 67 -17.034 -2.834 -10.887 788 HD2 PHE 67 HD2 PHE 67 -20.794 -1.136 -9.846 789 HE1 PHE 67 HE1 PHE 67 -17.009 -1.516 -12.963 790 HE2 PHE 67 HE2 PHE 67 -20.775 0.185 -11.921 791 HZ PHE 67 HZ PHE 67 -18.881 -0.004 -13.482 792 H CYS 68 H CYS 68 -19.480 -1.179 -6.584 793 HA CYS 68 HA CYS 68 -19.007 1.401 -7.594 794 1HB CYS 68 1HB CYS 68 -20.194 0.673 -4.910 795 2HB CYS 68 2HB CYS 68 -20.432 2.177 -5.798 796 HG CYS 68 HG CYS 68 -22.805 0.828 -6.063 797 H ARG 69 H ARG 69 -17.678 -0.360 -4.846 798 HA ARG 69 HA ARG 69 -16.224 1.816 -3.754 799 1HB ARG 69 1HB ARG 69 -16.691 -0.208 -2.453 800 2HB ARG 69 2HB ARG 69 -15.697 -1.158 -3.551 801 1HG ARG 69 1HG ARG 69 -13.722 0.080 -2.874 802 2HG ARG 69 2HG ARG 69 -14.703 1.096 -1.818 803 1HD ARG 69 1HD ARG 69 -15.293 -0.839 -0.470 804 2HD ARG 69 2HD ARG 69 -14.381 -1.892 -1.552 805 HE ARG 69 HE ARG 69 -12.521 -0.109 -0.764 806 1HH1 ARG 69 1HH1 ARG 69 -14.798 -2.087 1.010 807 2HH1 ARG 69 2HH1 ARG 69 -13.782 -2.230 2.413 808 1HH2 ARG 69 1HH2 ARG 69 -11.173 -0.303 1.083 809 2HH2 ARG 69 2HH2 ARG 69 -11.717 -1.215 2.456 810 H PHE 70 H PHE 70 -15.413 -0.726 -6.081 811 HA PHE 70 HA PHE 70 -12.727 -0.040 -6.506 812 1HB PHE 70 1HB PHE 70 -13.680 -2.134 -7.322 813 2HB PHE 70 2HB PHE 70 -14.748 -1.253 -8.408 814 HD1 PHE 70 HD1 PHE 70 -14.078 -0.767 -10.579 815 HD2 PHE 70 HD2 PHE 70 -11.163 -1.895 -7.690 816 HE1 PHE 70 HE1 PHE 70 -12.376 -0.889 -12.350 817 HE2 PHE 70 HE2 PHE 70 -9.459 -2.018 -9.455 818 HZ PHE 70 HZ PHE 70 -10.060 -1.516 -11.790 819 H GLN 71 H GLN 71 -15.650 0.935 -8.283 820 HA GLN 71 HA GLN 71 -14.444 2.720 -10.061 821 1HB GLN 71 1HB GLN 71 -17.215 2.673 -8.862 822 2HB GLN 71 2HB GLN 71 -16.726 3.826 -10.095 823 1HG GLN 71 1HG GLN 71 -16.571 0.850 -10.444 824 2HG GLN 71 2HG GLN 71 -17.937 1.841 -10.960 825 1HE2 GLN 71 1HE2 GLN 71 -14.560 1.161 -11.445 826 2HE2 GLN 71 2HE2 GLN 71 -14.432 1.875 -13.013 827 H LYS 72 H LYS 72 -15.640 3.191 -6.785 828 HA LYS 72 HA LYS 72 -15.339 5.947 -6.579 829 1HB LYS 72 1HB LYS 72 -16.460 4.366 -4.964 830 2HB LYS 72 2HB LYS 72 -14.860 3.917 -4.395 831 1HG LYS 72 1HG LYS 72 -15.988 5.560 -2.956 832 2HG LYS 72 2HG LYS 72 -14.456 6.146 -3.609 833 1HD LYS 72 1HD LYS 72 -15.464 7.638 -5.006 834 2HD LYS 72 2HD LYS 72 -16.980 6.731 -5.080 835 1HE LYS 72 1HE LYS 72 -17.335 7.333 -2.680 836 2HE LYS 72 2HE LYS 72 -15.939 8.404 -2.802 837 1HZ LYS 72 1HZ LYS 72 -17.908 9.676 -3.145 838 2HZ LYS 72 2HZ LYS 72 -18.482 8.601 -4.317 839 3HZ LYS 72 3HZ LYS 72 -17.115 9.552 -4.640 840 H CYS 73 H CYS 73 -13.032 3.326 -5.970 841 HA CYS 73 HA CYS 73 -10.910 4.862 -5.002 842 1HB CYS 73 1HB CYS 73 -10.789 2.297 -6.603 843 2HB CYS 73 2HB CYS 73 -9.481 2.959 -5.625 844 HG CYS 73 HG CYS 73 -12.491 1.859 -4.418 845 H LEU 74 H LEU 74 -11.433 3.676 -8.346 846 HA LEU 74 HA LEU 74 -9.272 5.070 -9.460 847 1HB LEU 74 1HB LEU 74 -11.805 3.964 -10.625 848 2HB LEU 74 2HB LEU 74 -10.678 4.856 -11.617 849 HG LEU 74 HG LEU 74 -8.911 3.201 -10.881 850 1HD1 LEU 74 1HD1 LEU 74 -11.344 1.703 -9.977 851 2HD1 LEU 74 2HD1 LEU 74 -10.027 2.288 -8.961 852 3HD1 LEU 74 3HD1 LEU 74 -9.728 1.018 -10.148 853 1HD2 LEU 74 1HD2 LEU 74 -9.910 3.173 -13.101 854 2HD2 LEU 74 2HD2 LEU 74 -11.245 2.194 -12.493 855 3HD2 LEU 74 3HD2 LEU 74 -9.610 1.534 -12.521 856 H THR 75 H THR 75 -12.639 6.026 -8.995 857 HA THR 75 HA THR 75 -12.542 8.421 -10.459 858 HB THR 75 HB THR 75 -14.298 7.701 -8.108 859 HG1 THR 75 HG1 THR 75 -14.697 6.288 -9.765 860 1HG2 THR 75 1HG2 THR 75 -15.822 9.424 -8.973 861 2HG2 THR 75 2HG2 THR 75 -14.624 9.869 -10.188 862 3HG2 THR 75 3HG2 THR 75 -14.278 10.114 -8.476 863 H VAL 76 H VAL 76 -11.954 7.818 -6.979 864 HA VAL 76 HA VAL 76 -11.683 10.590 -6.391 865 HB VAL 76 HB VAL 76 -10.781 9.899 -4.204 866 1HG1 VAL 76 1HG1 VAL 76 -12.810 8.764 -3.421 867 2HG1 VAL 76 2HG1 VAL 76 -13.250 8.415 -5.093 868 3HG1 VAL 76 3HG1 VAL 76 -13.177 10.085 -4.532 869 1HG2 VAL 76 1HG2 VAL 76 -11.054 7.093 -5.280 870 2HG2 VAL 76 2HG2 VAL 76 -10.697 7.527 -3.608 871 3HG2 VAL 76 3HG2 VAL 76 -9.543 7.911 -4.885 872 H GLY 77 H GLY 77 -9.507 8.258 -7.687 873 1HA GLY 77 1HA GLY 77 -7.780 9.488 -9.011 874 2HA GLY 77 2HA GLY 77 -7.393 10.314 -7.515 875 H MET 78 H MET 78 -8.116 6.975 -7.139 876 HA MET 78 HA MET 78 -5.405 6.448 -6.370 877 1HB MET 78 1HB MET 78 -7.799 4.618 -6.604 878 2HB MET 78 2HB MET 78 -6.225 4.104 -6.010 879 1HG MET 78 1HG MET 78 -6.391 5.770 -4.207 880 2HG MET 78 2HG MET 78 -7.997 6.203 -4.783 881 1HE MET 78 1HE MET 78 -6.925 2.060 -3.052 882 2HE MET 78 2HE MET 78 -5.775 3.391 -3.180 883 3HE MET 78 3HE MET 78 -6.386 2.610 -4.638 884 H ARG 79 H ARG 79 -3.811 5.749 -7.578 885 HA ARG 79 HA ARG 79 -4.183 5.410 -10.379 886 1HB ARG 79 1HB ARG 79 -1.822 5.268 -8.547 887 2HB ARG 79 2HB ARG 79 -1.677 4.731 -10.215 888 1HG ARG 79 1HG ARG 79 -2.658 7.462 -9.421 889 2HG ARG 79 2HG ARG 79 -0.975 7.089 -9.798 890 1HD ARG 79 1HD ARG 79 -1.954 7.971 -11.777 891 2HD ARG 79 2HD ARG 79 -1.760 6.242 -12.026 892 HE ARG 79 HE ARG 79 -4.359 7.204 -11.104 893 1HH1 ARG 79 1HH1 ARG 79 -2.365 6.041 -13.749 894 2HH1 ARG 79 2HH1 ARG 79 -3.729 5.631 -14.760 895 1HH2 ARG 79 1HH2 ARG 79 -6.145 6.683 -12.420 896 2HH2 ARG 79 2HH2 ARG 79 -5.881 6.012 -14.009 897 H LEU 80 H LEU 80 -4.717 3.690 -11.431 898 HA LEU 80 HA LEU 80 -4.865 1.097 -10.211 899 1HB LEU 80 1HB LEU 80 -6.486 1.884 -11.885 900 2HB LEU 80 2HB LEU 80 -5.219 1.942 -13.093 901 HG LEU 80 HG LEU 80 -4.964 -0.580 -12.655 902 1HD1 LEU 80 1HD1 LEU 80 -6.971 -1.687 -11.828 903 2HD1 LEU 80 2HD1 LEU 80 -7.699 -0.119 -11.477 904 3HD1 LEU 80 3HD1 LEU 80 -6.265 -0.644 -10.593 905 1HD2 LEU 80 1HD2 LEU 80 -5.897 0.389 -14.697 906 2HD2 LEU 80 2HD2 LEU 80 -7.483 0.480 -13.928 907 3HD2 LEU 80 3HD2 LEU 80 -6.740 -1.090 -14.238 908 H GLU 81 H GLU 81 -2.672 2.798 -12.273 909 HA GLU 81 HA GLU 81 -1.137 0.601 -13.191 910 1HB GLU 81 1HB GLU 81 0.510 2.315 -13.816 911 2HB GLU 81 2HB GLU 81 -1.116 2.769 -14.313 912 1HG GLU 81 1HG GLU 81 -1.294 4.222 -12.346 913 2HG GLU 81 2HG GLU 81 0.353 3.787 -11.895 914 H ALA 82 H ALA 82 -1.394 2.071 -10.159 915 HA ALA 82 HA ALA 82 1.323 1.677 -9.295 916 1HB ALA 82 1HB ALA 82 0.444 2.320 -7.078 917 2HB ALA 82 2HB ALA 82 -1.182 2.346 -7.761 918 3HB ALA 82 3HB ALA 82 0.035 3.482 -8.340 919 H VAL 83 H VAL 83 -1.302 -0.334 -9.774 920 HA VAL 83 HA VAL 83 -0.793 -2.111 -7.561 921 HB VAL 83 HB VAL 83 -2.505 -2.594 -10.004 922 1HG1 VAL 83 1HG1 VAL 83 -3.578 -4.306 -8.628 923 2HG1 VAL 83 2HG1 VAL 83 -2.447 -3.967 -7.318 924 3HG1 VAL 83 3HG1 VAL 83 -1.859 -4.639 -8.840 925 1HG2 VAL 83 1HG2 VAL 83 -4.395 -1.980 -8.569 926 2HG2 VAL 83 2HG2 VAL 83 -3.274 -0.635 -8.788 927 3HG2 VAL 83 3HG2 VAL 83 -3.271 -1.551 -7.281 928 H ARG 84 H ARG 84 1.255 -2.853 -7.712 929 HA ARG 84 HA ARG 84 2.269 -4.060 -10.120 930 1HB ARG 84 1HB ARG 84 3.755 -2.961 -8.467 931 2HB ARG 84 2HB ARG 84 3.316 -4.177 -7.279 932 1HG ARG 84 1HG ARG 84 5.410 -4.822 -8.107 933 2HG ARG 84 2HG ARG 84 4.246 -5.893 -8.885 934 1HD ARG 84 1HD ARG 84 4.296 -4.446 -10.881 935 2HD ARG 84 2HD ARG 84 5.518 -3.443 -10.098 936 HE ARG 84 HE ARG 84 6.277 -6.198 -10.200 937 1HH1 ARG 84 1HH1 ARG 84 6.238 -3.202 -12.016 938 2HH1 ARG 84 2HH1 ARG 84 7.455 -3.735 -13.144 939 1HH2 ARG 84 1HH2 ARG 84 7.894 -6.872 -11.634 940 2HH2 ARG 84 2HH2 ARG 84 8.433 -5.806 -12.901 941 H ALA 85 H ALA 85 0.435 -5.487 -10.426 942 HA ALA 85 HA ALA 85 -0.250 -7.557 -8.640 943 1HB ALA 85 1HB ALA 85 -0.544 -7.487 -11.638 944 2HB ALA 85 2HB ALA 85 -1.700 -6.841 -10.473 945 3HB ALA 85 3HB ALA 85 -1.386 -8.575 -10.535 946 H ASP 86 H ASP 86 2.421 -7.103 -10.639 947 HA ASP 86 HA ASP 86 3.277 -9.651 -11.290 948 1HB ASP 86 1HB ASP 86 4.475 -7.853 -12.196 949 2HB ASP 86 2HB ASP 86 4.698 -7.088 -10.630 950 H ARG 87 H ARG 87 4.760 -7.846 -8.609 951 HA ARG 87 HA ARG 87 4.259 -9.400 -6.442 952 1HB ARG 87 1HB ARG 87 5.152 -11.317 -7.779 953 2HB ARG 87 2HB ARG 87 6.705 -10.498 -7.854 954 1HG ARG 87 1HG ARG 87 6.626 -12.264 -6.145 955 2HG ARG 87 2HG ARG 87 6.964 -10.671 -5.466 956 1HD ARG 87 1HD ARG 87 4.915 -10.518 -4.442 957 2HD ARG 87 2HD ARG 87 4.137 -11.595 -5.605 958 HE ARG 87 HE ARG 87 5.952 -12.506 -3.456 959 1HH1 ARG 87 1HH1 ARG 87 3.181 -12.946 -5.565 960 2HH1 ARG 87 2HH1 ARG 87 2.755 -14.495 -4.892 961 1HH2 ARG 87 1HH2 ARG 87 5.396 -14.548 -2.581 962 2HH2 ARG 87 2HH2 ARG 87 3.995 -15.390 -3.175 963 H MET 88 H MET 88 6.731 -7.813 -8.328 964 HA MET 88 HA MET 88 8.653 -7.232 -6.438 965 1HB MET 88 1HB MET 88 8.654 -6.750 -8.941 966 2HB MET 88 2HB MET 88 7.769 -5.280 -8.560 967 1HG MET 88 1HG MET 88 10.104 -4.786 -8.813 968 2HG MET 88 2HG MET 88 9.629 -4.556 -7.130 969 1HE MET 88 1HE MET 88 13.363 -5.850 -7.001 970 2HE MET 88 2HE MET 88 12.280 -4.511 -6.619 971 3HE MET 88 3HE MET 88 12.659 -4.886 -8.300 972 H ARG 89 H ARG 89 8.474 -6.294 -4.518 973 HA ARG 89 HA ARG 89 6.201 -4.818 -3.714 974 1HB ARG 89 1HB ARG 89 8.881 -5.247 -2.399 975 2HB ARG 89 2HB ARG 89 7.559 -4.376 -1.629 976 1HG ARG 89 1HG ARG 89 6.151 -6.371 -1.799 977 2HG ARG 89 2HG ARG 89 7.488 -7.242 -2.551 978 1HD ARG 89 1HD ARG 89 8.812 -7.024 -0.545 979 2HD ARG 89 2HD ARG 89 7.574 -6.015 0.203 980 HE ARG 89 HE ARG 89 6.399 -8.444 -0.525 981 1HH1 ARG 89 1HH1 ARG 89 8.825 -7.288 1.723 982 2HH1 ARG 89 2HH1 ARG 89 8.479 -8.502 2.912 983 1HH2 ARG 89 1HH2 ARG 89 5.940 -10.030 1.038 984 2HH2 ARG 89 2HH2 ARG 89 6.855 -10.081 2.519 985 H GLY 90 H GLY 90 9.050 -3.845 -5.306 986 1HA GLY 90 1HA GLY 90 8.920 -1.081 -4.486 987 2HA GLY 90 2HA GLY 90 9.916 -1.743 -5.777 988 H GLY 91 H GLY 91 6.530 -1.034 -4.968 989 1HA GLY 91 1HA GLY 91 5.753 -1.072 -7.752 990 2HA GLY 91 2HA GLY 91 4.711 -0.737 -6.379 991 H ARG 92 H ARG 92 7.662 1.048 -6.714 992 HA ARG 92 HA ARG 92 6.140 3.473 -7.108 993 1HB ARG 92 1HB ARG 92 9.044 2.919 -6.556 994 2HB ARG 92 2HB ARG 92 8.494 4.522 -7.029 995 1HG ARG 92 1HG ARG 92 6.909 4.472 -5.109 996 2HG ARG 92 2HG ARG 92 7.653 2.956 -4.603 997 1HD ARG 92 1HD ARG 92 9.734 4.008 -4.190 998 2HD ARG 92 2HD ARG 92 9.231 5.484 -5.017 999 HE ARG 92 HE ARG 92 7.525 4.909 -2.820 1000 1HH1 ARG 92 1HH1 ARG 92 10.719 6.159 -3.559 1001 2HH1 ARG 92 2HH1 ARG 92 10.774 7.176 -2.153 1002 1HH2 ARG 92 1HH2 ARG 92 7.589 6.253 -1.000 1003 2HH2 ARG 92 2HH2 ARG 92 8.997 7.226 -0.688 1004 H ASN 93 H ASN 93 5.451 3.847 -9.060 1005 HA ASN 93 HA ASN 93 7.099 3.161 -11.366 1006 1HB ASN 93 1HB ASN 93 4.194 3.894 -11.044 1007 2HB ASN 93 2HB ASN 93 4.964 3.834 -12.625 1008 1HD2 ASN 93 1HD2 ASN 93 3.819 1.978 -9.922 1009 2HD2 ASN 93 2HD2 ASN 93 3.950 0.430 -10.679 1010 H LYS 94 H LYS 94 6.139 5.035 -13.204 1011 HA LYS 94 HA LYS 94 8.024 7.051 -12.821 1012 1HB LYS 94 1HB LYS 94 6.957 8.154 -14.812 1013 2HB LYS 94 2HB LYS 94 7.478 6.498 -15.042 1014 1HG LYS 94 1HG LYS 94 5.404 6.741 -16.151 1015 2HG LYS 94 2HG LYS 94 5.092 5.795 -14.700 1016 1HD LYS 94 1HD LYS 94 3.950 7.520 -13.665 1017 2HD LYS 94 2HD LYS 94 4.735 8.761 -14.641 1018 1HE LYS 94 1HE LYS 94 2.357 8.445 -15.217 1019 2HE LYS 94 2HE LYS 94 3.439 8.134 -16.571 1020 1HZ LYS 94 1HZ LYS 94 1.621 6.502 -16.332 1021 2HZ LYS 94 2HZ LYS 94 2.272 6.008 -14.848 1022 3HZ LYS 94 3HZ LYS 94 3.160 5.795 -16.282 1023 H PHE 95 H PHE 95 4.890 6.902 -11.520 1024 HA PHE 95 HA PHE 95 4.743 9.806 -11.215 1025 1HB PHE 95 1HB PHE 95 2.484 9.457 -10.363 1026 2HB PHE 95 2HB PHE 95 2.687 8.629 -11.904 1027 HD1 PHE 95 HD1 PHE 95 1.896 8.292 -8.416 1028 HD2 PHE 95 HD2 PHE 95 3.008 6.148 -11.919 1029 HE1 PHE 95 HE1 PHE 95 1.121 6.202 -7.379 1030 HE2 PHE 95 HE2 PHE 95 2.234 4.055 -10.886 1031 HZ PHE 95 HZ PHE 95 1.292 4.083 -8.615 1032 H GLY 96 H GLY 96 6.456 7.600 -9.756 1033 1HA GLY 96 1HA GLY 96 5.914 7.528 -7.059 1034 2HA GLY 96 2HA GLY 96 7.532 7.551 -7.733 1035 HA PRO 97 HA PRO 97 8.475 11.742 -6.514 1036 1HB PRO 97 1HB PRO 97 7.457 13.036 -8.994 1037 2HB PRO 97 2HB PRO 97 9.018 13.217 -8.186 1038 1HG PRO 97 1HG PRO 97 8.794 11.774 -10.409 1039 2HG PRO 97 2HG PRO 97 9.863 11.263 -9.090 1040 1HD PRO 97 1HD PRO 97 7.200 10.199 -9.894 1041 2HD PRO 97 2HD PRO 97 8.604 9.345 -9.228 1042 H MET 98 H MET 98 5.251 11.403 -7.914 1043 HA MET 98 HA MET 98 4.277 13.927 -7.124 1044 1HB MET 98 1HB MET 98 2.126 13.204 -7.759 1045 2HB MET 98 2HB MET 98 3.234 12.387 -8.838 1046 1HG MET 98 1HG MET 98 1.732 10.763 -8.320 1047 2HG MET 98 2HG MET 98 3.044 10.434 -7.199 1048 1HE MET 98 1HE MET 98 0.238 13.231 -7.022 1049 2HE MET 98 2HE MET 98 -0.989 12.375 -6.088 1050 3HE MET 98 3HE MET 98 -0.549 11.806 -7.699 1051 H TYR 99 H TYR 99 4.638 10.938 -5.395 1052 HA TYR 99 HA TYR 99 2.776 11.345 -3.344 1053 1HB TYR 99 1HB TYR 99 5.386 9.843 -3.425 1054 2HB TYR 99 2HB TYR 99 4.364 9.871 -1.992 1055 HD1 TYR 99 HD1 TYR 99 2.128 8.847 -2.051 1056 HD2 TYR 99 HD2 TYR 99 4.816 8.505 -5.328 1057 HE1 TYR 99 HE1 TYR 99 0.810 6.973 -2.925 1058 HE2 TYR 99 HE2 TYR 99 3.498 6.630 -6.219 1059 HH TYR 99 HH TYR 99 1.924 4.915 -5.353 1060 H LYS 100 H LYS 100 6.277 12.044 -3.311 1061 HA LYS 100 HA LYS 100 6.089 13.406 -0.809 1062 1HB LYS 100 1HB LYS 100 8.437 14.047 -1.199 1063 2HB LYS 100 2HB LYS 100 8.170 12.320 -1.385 1064 1HG LYS 100 1HG LYS 100 8.224 12.548 -3.796 1065 2HG LYS 100 2HG LYS 100 8.391 14.298 -3.647 1066 1HD LYS 100 1HD LYS 100 10.358 12.257 -2.606 1067 2HD LYS 100 2HD LYS 100 10.545 13.188 -4.093 1068 1HE LYS 100 1HE LYS 100 10.258 14.414 -1.354 1069 2HE LYS 100 2HE LYS 100 11.807 14.091 -2.130 1070 1HZ LYS 100 1HZ LYS 100 11.343 15.646 -3.821 1071 2HZ LYS 100 2HZ LYS 100 10.913 16.415 -2.368 1072 3HZ LYS 100 3HZ LYS 100 9.712 15.777 -3.382 1073 H ARG 101 H ARG 101 5.937 14.344 -4.157 1074 HA ARG 101 HA ARG 101 6.373 17.107 -3.806 1075 1HB ARG 101 1HB ARG 101 6.438 15.990 -6.010 1076 2HB ARG 101 2HB ARG 101 4.704 15.710 -5.909 1077 1HG ARG 101 1HG ARG 101 4.401 18.189 -5.775 1078 2HG ARG 101 2HG ARG 101 6.123 18.351 -6.122 1079 1HD ARG 101 1HD ARG 101 4.054 17.034 -7.873 1080 2HD ARG 101 2HD ARG 101 4.816 18.598 -8.151 1081 HE ARG 101 HE ARG 101 6.490 16.193 -8.028 1082 1HH1 ARG 101 1HH1 ARG 101 5.193 18.898 -9.829 1083 2HH1 ARG 101 2HH1 ARG 101 6.169 18.596 -11.237 1084 1HH2 ARG 101 1HH2 ARG 101 7.774 15.791 -9.857 1085 2HH2 ARG 101 2HH2 ARG 101 7.650 16.818 -11.254 1086 H ASP 102 H ASP 102 3.363 15.241 -4.146 1087 HA ASP 102 HA ASP 102 1.602 17.371 -3.662 1088 1HB ASP 102 1HB ASP 102 0.914 15.205 -4.652 1089 2HB ASP 102 2HB ASP 102 1.165 14.429 -3.093 1090 H ARG 103 H ARG 103 3.144 15.050 -1.503 1091 HA ARG 103 HA ARG 103 1.772 15.747 0.843 1092 1HB ARG 103 1HB ARG 103 3.363 13.762 0.364 1093 2HB ARG 103 2HB ARG 103 4.647 14.869 0.830 1094 1HG ARG 103 1HG ARG 103 3.684 15.138 3.019 1095 2HG ARG 103 2HG ARG 103 2.292 14.153 2.562 1096 1HD ARG 103 1HD ARG 103 4.044 12.333 2.034 1097 2HD ARG 103 2HD ARG 103 5.133 13.314 3.015 1098 HE ARG 103 HE ARG 103 2.643 12.791 4.333 1099 1HH1 ARG 103 1HH1 ARG 103 5.836 11.498 3.658 1100 2HH1 ARG 103 2HH1 ARG 103 5.795 10.370 4.985 1101 1HH2 ARG 103 1HH2 ARG 103 2.582 11.313 6.059 1102 2HH2 ARG 103 2HH2 ARG 103 3.935 10.260 6.354 1103 H ALA 104 H ALA 104 4.729 17.040 -0.603 1104 HA ALA 104 HA ALA 104 5.365 18.751 1.577 1105 1HB ALA 104 1HB ALA 104 7.005 19.745 0.082 1106 2HB ALA 104 2HB ALA 104 6.268 18.921 -1.292 1107 3HB ALA 104 3HB ALA 104 7.050 17.985 -0.020 1108 H LEU 105 H LEU 105 3.407 19.115 -1.300 1109 HA LEU 105 HA LEU 105 3.102 21.961 -0.967 1110 1HB LEU 105 1HB LEU 105 1.535 20.035 -2.685 1111 2HB LEU 105 2HB LEU 105 1.482 21.783 -2.793 1112 HG LEU 105 HG LEU 105 3.902 20.073 -3.375 1113 1HD1 LEU 105 1HD1 LEU 105 2.051 21.557 -5.233 1114 2HD1 LEU 105 2HD1 LEU 105 2.152 19.807 -5.048 1115 3HD1 LEU 105 3HD1 LEU 105 3.524 20.706 -5.700 1116 1HD2 LEU 105 1HD2 LEU 105 4.875 22.152 -4.235 1117 2HD2 LEU 105 2HD2 LEU 105 4.518 22.259 -2.511 1118 3HD2 LEU 105 3HD2 LEU 105 3.455 23.040 -3.681 1119 H LYS 106 H LYS 106 1.154 19.082 -0.431 1120 HA LYS 106 HA LYS 106 -1.221 20.286 0.421 1121 1HB LYS 106 1HB LYS 106 -1.073 17.954 -0.218 1122 2HB LYS 106 2HB LYS 106 0.002 17.621 1.130 1123 1HG LYS 106 1HG LYS 106 -1.784 18.068 2.701 1124 2HG LYS 106 2HG LYS 106 -2.870 18.488 1.369 1125 1HD LYS 106 1HD LYS 106 -2.684 16.248 0.475 1126 2HD LYS 106 2HD LYS 106 -1.527 15.815 1.732 1127 1HE LYS 106 1HE LYS 106 -4.396 16.618 2.178 1128 2HE LYS 106 2HE LYS 106 -3.774 14.970 2.216 1129 1HZ LYS 106 1HZ LYS 106 -3.492 17.108 4.177 1130 2HZ LYS 106 2HZ LYS 106 -2.173 16.065 3.991 1131 3HZ LYS 106 3HZ LYS 106 -3.694 15.441 4.411 1132 H GLN 107 H GLN 107 1.514 19.045 2.339 1133 HA GLN 107 HA GLN 107 0.346 20.112 4.769 1134 1HB GLN 107 1HB GLN 107 3.094 18.904 4.425 1135 2HB GLN 107 2HB GLN 107 2.195 19.100 5.922 1136 1HG GLN 107 1HG GLN 107 1.542 17.234 3.654 1137 2HG GLN 107 2HG GLN 107 2.162 16.797 5.243 1138 1HE2 GLN 107 1HE2 GLN 107 0.418 18.752 6.598 1139 2HE2 GLN 107 2HE2 GLN 107 -1.165 18.044 6.577 1140 H GLN 108 H GLN 108 3.553 20.442 3.293 1141 HA GLN 108 HA GLN 108 4.996 22.163 3.055 1142 1HB GLN 108 1HB GLN 108 2.866 23.091 1.937 1143 2HB GLN 108 2HB GLN 108 2.710 24.085 3.376 1144 1HG GLN 108 1HG GLN 108 4.851 25.110 2.954 1145 2HG GLN 108 2HG GLN 108 5.121 24.043 1.577 1146 1HE2 GLN 108 1HE2 GLN 108 5.335 25.726 0.139 1147 2HE2 GLN 108 2HE2 GLN 108 3.993 26.701 -0.367 1148 H LYS 109 H LYS 109 3.790 21.333 5.806 1149 HA LYS 109 HA LYS 109 4.270 23.535 7.514 1150 1HB LYS 109 1HB LYS 109 4.366 21.804 9.325 1151 2HB LYS 109 2HB LYS 109 2.906 21.780 8.360 1152 1HG LYS 109 1HG LYS 109 3.359 19.545 8.539 1153 2HG LYS 109 2HG LYS 109 4.149 19.925 7.013 1154 1HD LYS 109 1HD LYS 109 5.615 18.537 8.304 1155 2HD LYS 109 2HD LYS 109 6.295 20.162 8.252 1156 1HE LYS 109 1HE LYS 109 6.457 19.141 10.485 1157 2HE LYS 109 2HE LYS 109 5.489 20.611 10.492 1158 1HZ LYS 109 1HZ LYS 109 4.470 18.867 11.815 1159 2HZ LYS 109 2HZ LYS 109 4.421 17.836 10.474 1160 3HZ LYS 109 3HZ LYS 109 3.486 19.249 10.487 1161 H LYS 110 H LYS 110 6.045 24.041 8.771 1162 HA LYS 110 HA LYS 110 8.547 23.292 7.474 1163 1HB LYS 110 1HB LYS 110 7.894 25.498 9.430 1164 2HB LYS 110 2HB LYS 110 9.486 25.217 8.737 1165 1HG LYS 110 1HG LYS 110 8.491 25.562 6.480 1166 2HG LYS 110 2HG LYS 110 6.976 26.001 7.269 1167 1HD LYS 110 1HD LYS 110 8.220 27.999 6.685 1168 2HD LYS 110 2HD LYS 110 8.141 27.829 8.439 1169 1HE LYS 110 1HE LYS 110 10.369 28.488 7.814 1170 2HE LYS 110 2HE LYS 110 10.404 26.827 8.404 1171 1HZ LYS 110 1HZ LYS 110 10.541 27.738 5.583 1172 2HZ LYS 110 2HZ LYS 110 10.326 26.117 6.024 1173 3HZ LYS 110 3HZ LYS 110 11.744 26.935 6.467 1174 H ALA 111 H ALA 111 10.496 23.260 8.951 1175 HA ALA 111 HA ALA 111 9.923 21.455 11.188 1176 1HB ALA 111 1HB ALA 111 12.506 21.933 9.706 1177 2HB ALA 111 2HB ALA 111 11.411 20.574 9.460 1178 3HB ALA 111 3HB ALA 111 12.259 20.756 10.995 Start of MODEL 2 1 1H5* G 1 1H5* G 1 29.290 3.458 -0.324 2 2H5* G 1 2H5* G 1 28.819 1.997 0.564 3 H4* G 1 H4* G 1 29.079 4.079 1.928 4 H3* G 1 H3* G 1 27.430 2.035 2.454 5 H1* G 1 H1* G 1 25.927 5.653 2.270 6 H8 G 1 H8 G 1 25.554 3.616 -1.015 7 H1 G 1 H1 G 1 21.838 8.824 -0.470 8 1H2 G 1 1H2 G 1 22.214 9.822 1.461 9 2H2 G 1 2H2 G 1 23.376 9.208 2.618 10 H5T G 1 H5T G 1 27.268 3.626 -1.150 11 1H2* G 1 1H2* G 1 25.465 2.799 1.335 12 2H2* G 1 2H2* G 1 25.191 3.499 2.924 13 1H5* G 2 1H5* G 2 26.226 5.912 4.178 14 2H5* G 2 2H5* G 2 26.523 5.805 5.925 15 H4* G 2 H4* G 2 24.834 7.320 5.873 16 H3* G 2 H3* G 2 24.018 4.881 6.875 17 H1* G 2 H1* G 2 21.914 7.138 4.539 18 H8 G 2 H8 G 2 23.216 3.951 2.740 19 H1 G 2 H1 G 2 18.587 7.215 -0.290 20 1H2 G 2 1H2 G 2 17.984 8.963 0.912 21 2H2 G 2 2H2 G 2 18.718 9.330 2.457 22 1H2* G 2 1H2* G 2 22.591 4.213 5.102 23 2H2* G 2 2H2* G 2 21.463 5.262 5.951 24 1H5* C 3 1H5* C 3 21.059 7.714 5.956 25 2H5* C 3 2H5* C 3 20.610 8.561 7.451 26 H4* C 3 H4* C 3 18.665 8.842 6.395 27 H3* C 3 H3* C 3 18.394 6.685 8.116 28 H1* C 3 H1* C 3 16.887 7.025 4.631 29 1H4 C 3 1H4 C 3 17.940 2.866 -0.005 30 2H4 C 3 2H4 C 3 19.157 2.017 0.925 31 H5 C 3 H5 C 3 19.819 2.700 3.160 32 H6 C 3 H6 C 3 19.459 4.345 4.929 33 1H2* C 3 1H2* C 3 18.245 4.980 6.465 34 2H2* C 3 2H2* C 3 16.563 5.491 6.485 35 1H5* T 4 1H5* T 4 14.504 9.655 7.973 36 2H5* T 4 2H5* T 4 13.035 8.908 8.631 37 H4* T 4 H4* T 4 13.058 10.426 6.448 38 H3* T 4 H3* T 4 11.085 9.029 7.617 39 1H2* T 4 1H2* T 4 11.500 6.893 6.612 40 2H2* T 4 2H2* T 4 10.354 7.569 5.463 41 H1* T 4 H1* T 4 12.066 8.249 3.941 42 H3 T 4 H3 T 4 13.358 4.412 2.066 43 1H5M T 4 1H5M T 4 14.519 2.986 6.578 44 2H5M T 4 2H5M T 4 16.044 3.495 5.814 45 3H5M T 4 3H5M T 4 15.312 4.494 7.093 46 H6 T 4 H6 T 4 13.854 6.207 6.457 47 1H5* C 5 1H5* C 5 10.702 9.449 2.950 48 2H5* C 5 2H5* C 5 9.424 10.681 2.979 49 H4* C 5 H4* C 5 9.065 9.630 0.970 50 H3* C 5 H3* C 5 7.014 9.381 2.673 51 H1* C 5 H1* C 5 8.369 6.176 0.885 52 1H4 C 5 1H4 C 5 11.471 1.844 4.307 53 2H4 C 5 2H4 C 5 11.328 2.802 5.765 54 H5 C 5 H5 C 5 10.285 4.983 5.807 55 H6 C 5 H6 C 5 9.180 6.694 4.464 56 1H2* C 5 1H2* C 5 7.526 7.241 3.606 57 2H2* C 5 2H2* C 5 6.516 6.749 2.254 58 1H5* A 6 1H5* A 6 6.803 6.922 -1.471 59 2H5* A 6 2H5* A 6 5.421 7.841 -2.104 60 H4* A 6 H4* A 6 5.263 5.885 -3.274 61 H3* A 6 H3* A 6 3.178 6.287 -1.624 62 H1* A 6 H1* A 6 4.932 2.823 -1.712 63 H8 A 6 H8 A 6 5.549 4.778 1.556 64 1H6 A 6 1H6 A 6 8.859 -0.135 3.327 65 2H6 A 6 2H6 A 6 8.224 1.425 3.805 66 H2 A 6 H2 A 6 7.558 -0.790 -0.928 67 1H2* A 6 1H2* A 6 3.905 4.949 0.220 68 2H2* A 6 2H2* A 6 2.984 3.756 -0.685 69 1H5* G 7 1H5* G 7 4.878 2.073 -3.035 70 2H5* G 7 2H5* G 7 3.911 2.656 -4.407 71 H4* G 7 H4* G 7 4.336 0.459 -4.964 72 H3* G 7 H3* G 7 1.743 1.016 -4.678 73 H1* G 7 H1* G 7 3.165 -2.036 -2.522 74 H8 G 7 H8 G 7 1.600 0.802 -0.670 75 H1 G 7 H1 G 7 5.939 -2.438 2.781 76 1H2 G 7 1H2 G 7 7.123 -3.743 1.462 77 2H2 G 7 2H2 G 7 6.853 -3.809 -0.265 78 1H2* G 7 1H2* G 7 1.331 0.347 -2.450 79 2H2* G 7 2H2* G 7 1.105 -1.219 -3.216 80 1H5* G 8 1H5* G 8 4.240 -2.941 -4.396 81 2H5* G 8 2H5* G 8 3.562 -3.554 -5.917 82 H4* G 8 H4* G 8 4.540 -5.410 -4.932 83 H3* G 8 H3* G 8 1.901 -5.615 -5.406 84 H1* G 8 H1* G 8 3.269 -6.560 -1.822 85 H8 G 8 H8 G 8 1.120 -3.385 -2.114 86 H1 G 8 H1 G 8 3.556 -4.561 3.710 87 1H2 G 8 1H2 G 8 4.941 -6.277 3.616 88 2H2 G 8 2H2 G 8 5.271 -7.128 2.124 89 1H2* G 8 1H2* G 8 1.025 -5.118 -3.256 90 2H2* G 8 2H2* G 8 1.283 -6.844 -3.043 91 1H5* G 9 1H5* G 9 3.925 -7.860 -2.668 92 2H5* G 9 2H5* G 9 4.581 -9.313 -3.452 93 H4* G 9 H4* G 9 4.980 -9.936 -1.339 94 H3* G 9 H3* G 9 2.827 -11.312 -2.171 95 H1* G 9 H1* G 9 2.801 -9.574 1.257 96 H8 G 9 H8 G 9 0.670 -7.606 -1.321 97 H1 G 9 H1 G 9 0.470 -5.513 4.749 98 1H2 G 9 1H2 G 9 1.835 -6.718 6.001 99 2H2 G 9 2H2 G 9 2.789 -8.027 5.343 100 1H2* G 9 1H2* G 9 1.134 -9.843 -1.291 101 2H2* G 9 2H2* G 9 1.300 -10.998 0.023 102 1H5* C 10 1H5* C 10 3.815 -11.328 1.861 103 2H5* C 10 2H5* C 10 4.686 -12.733 2.510 104 H4* C 10 H4* C 10 3.864 -11.981 4.448 105 H3* C 10 H3* C 10 2.193 -14.043 3.505 106 H1* C 10 H1* C 10 1.239 -10.840 5.431 107 1H4 C 10 1H4 C 10 -3.352 -7.109 3.157 108 2H4 C 10 2H4 C 10 -3.288 -7.872 1.583 109 H5 C 10 H5 C 10 -1.748 -9.664 1.051 110 H6 C 10 H6 C 10 0.016 -11.101 1.924 111 1H2* C 10 1H2* C 10 0.199 -12.806 3.332 112 2H2* C 10 2H2* C 10 0.188 -12.965 5.083 113 1H5* C 11 1H5* C 11 2.968 -13.424 7.916 114 2H5* C 11 2H5* C 11 2.848 -14.781 9.055 115 H4* C 11 H4* C 11 1.954 -12.814 10.073 116 H3* C 11 H3* C 11 0.454 -15.171 9.871 117 H1* C 11 H1* C 11 -0.953 -11.508 9.424 118 1H4 C 11 1H4 C 11 -4.069 -10.641 3.980 119 2H4 C 11 2H4 C 11 -3.436 -12.124 3.297 120 H5 C 11 H5 C 11 -1.943 -13.602 4.522 121 H6 C 11 H6 C 11 -0.738 -13.921 6.612 122 1H2* C 11 1H2* C 11 -1.399 -14.409 8.677 123 2H2* C 11 2H2* C 11 -1.813 -13.554 10.157 124 1H5* A 12 1H5* A 12 -1.156 -11.742 11.497 125 2H5* A 12 2H5* A 12 -0.948 -11.760 13.260 126 H4* A 12 H4* A 12 -2.636 -10.300 13.207 127 H3* A 12 H3* A 12 -3.666 -12.704 13.934 128 H1* A 12 H1* A 12 -5.396 -10.427 11.374 129 H8 A 12 H8 A 12 -3.502 -13.274 9.515 130 1H6 A 12 1H6 A 12 -7.026 -11.715 4.667 131 2H6 A 12 2H6 A 12 -5.746 -12.766 5.236 132 H2 A 12 H2 A 12 -8.174 -9.097 8.126 133 1H2* A 12 1H2* A 12 -4.560 -13.340 11.802 134 2H2* A 12 2H2* A 12 -5.942 -12.500 12.491 135 1H5* C 13 1H5* C 13 -6.133 -9.037 14.092 136 2H5* C 13 2H5* C 13 -6.692 -8.659 15.736 137 H4* C 13 H4* C 13 -8.231 -7.580 14.412 138 H3* C 13 H3* C 13 -9.291 -9.534 15.932 139 H1* C 13 H1* C 13 -10.222 -9.288 12.166 140 1H4 C 13 1H4 C 13 -8.443 -13.877 8.190 141 2H4 C 13 2H4 C 13 -7.452 -14.646 9.410 142 H5 C 13 H5 C 13 -7.180 -13.744 11.643 143 H6 C 13 H6 C 13 -7.807 -11.934 13.152 144 1H2* C 13 1H2* C 13 -9.363 -11.283 14.304 145 2H2* C 13 2H2* C 13 -10.945 -10.561 14.046 146 1H5* A 14 1H5* A 14 -11.308 -8.306 11.820 147 2H5* A 14 2H5* A 14 -11.701 -6.991 12.945 148 H4* A 14 H4* A 14 -13.210 -6.469 11.376 149 H3* A 14 H3* A 14 -14.567 -7.547 13.373 150 H1* A 14 H1* A 14 -15.017 -9.339 9.831 151 H8 A 14 H8 A 14 -12.521 -10.840 12.392 152 1H6 A 14 1H6 A 14 -11.856 -15.414 8.273 153 2H6 A 14 2H6 A 14 -11.387 -14.821 9.852 154 H2 A 14 H2 A 14 -14.657 -12.371 6.536 155 1H2* A 14 1H2* A 14 -14.561 -9.846 12.762 156 2H2* A 14 2H2* A 14 -16.029 -9.349 11.933 157 1H5* G 15 1H5* G 15 -16.694 -7.050 9.372 158 2H5* G 15 2H5* G 15 -18.214 -6.161 9.604 159 H4* G 15 H4* G 15 -18.542 -7.488 7.716 160 H3* G 15 H3* G 15 -20.210 -7.903 9.871 161 H1* G 15 H1* G 15 -18.738 -10.764 7.664 162 H8 G 15 H8 G 15 -17.320 -10.572 11.269 163 H1 G 15 H1 G 15 -15.778 -15.818 7.912 164 1H2 G 15 1H2 G 15 -16.634 -15.703 5.886 165 2H2 G 15 2H2 G 15 -17.596 -14.340 5.356 166 H3T G 15 H3T G 15 -20.619 -9.169 7.392 167 1H2* G 15 1H2* G 15 -19.501 -10.053 10.527 168 2H2* G 15 2H2* G 15 -20.538 -10.550 9.197 169 1H5* C 16 1H5* C 16 -15.432 -23.559 6.350 170 2H5* C 16 2H5* C 16 -13.861 -23.662 5.537 171 H4* C 16 H4* C 16 -15.789 -22.395 4.402 172 H3* C 16 H3* C 16 -13.183 -22.244 3.881 173 H1* C 16 H1* C 16 -15.013 -18.950 4.909 174 1H4 C 16 1H4 C 16 -13.926 -16.426 10.602 175 2H4 C 16 2H4 C 16 -13.004 -17.817 11.127 176 H5 C 16 H5 C 16 -12.645 -19.762 9.720 177 H6 C 16 H6 C 16 -13.115 -20.761 7.546 178 H5T C 16 H5T C 16 -13.009 -22.641 7.140 179 1H2* C 16 1H2* C 16 -12.559 -20.632 5.546 180 2H2* C 16 2H2* C 16 -12.842 -19.582 4.165 181 1H5* T 17 1H5* T 17 -15.960 -19.241 1.142 182 2H5* T 17 2H5* T 17 -15.063 -19.100 -0.385 183 H4* T 17 H4* T 17 -16.303 -17.066 0.204 184 H3* T 17 H3* T 17 -13.831 -17.083 -0.901 185 1H2* T 17 1H2* T 17 -12.540 -16.750 1.081 186 2H2* T 17 2H2* T 17 -12.823 -15.077 0.622 187 H1* T 17 H1* T 17 -14.664 -14.826 2.137 188 H3 T 17 H3 T 17 -13.274 -14.745 6.372 189 1H5M T 17 1H5M T 17 -9.988 -18.038 4.839 190 2H5M T 17 2H5M T 17 -11.164 -19.154 4.105 191 3H5M T 17 3H5M T 17 -11.163 -18.895 5.866 192 H6 T 17 H6 T 17 -12.468 -17.738 2.748 193 1H5* G 18 1H5* G 18 -15.582 -13.481 0.849 194 2H5* G 18 2H5* G 18 -15.984 -12.354 -0.462 195 H4* G 18 H4* G 18 -15.902 -10.974 1.356 196 H3* G 18 H3* G 18 -13.822 -10.571 -0.449 197 H1* G 18 H1* G 18 -13.635 -10.318 3.391 198 H8 G 18 H8 G 18 -11.769 -13.464 2.089 199 H1 G 18 H1 G 18 -10.314 -11.588 8.057 200 1H2 G 18 1H2 G 18 -11.450 -9.774 8.578 201 2H2 G 18 2H2 G 18 -12.567 -9.019 7.463 202 1H2* G 18 1H2* G 18 -12.024 -11.218 0.952 203 2H2* G 18 2H2* G 18 -12.243 -9.589 1.575 204 1H5* T 19 1H5* T 19 -15.129 -7.832 2.402 205 2H5* T 19 2H5* T 19 -15.556 -6.114 2.261 206 H4* T 19 H4* T 19 -14.631 -6.320 4.378 207 H3* T 19 H3* T 19 -13.216 -4.748 2.535 208 1H2* T 19 1H2* T 19 -11.210 -5.994 2.516 209 2H2* T 19 2H2* T 19 -10.938 -5.154 4.037 210 H1* T 19 H1* T 19 -11.840 -6.956 5.353 211 H3 T 19 H3 T 19 -8.457 -9.842 5.502 212 1H5M T 19 1H5M T 19 -8.515 -9.745 0.655 213 2H5M T 19 2H5M T 19 -9.440 -11.203 1.087 214 3H5M T 19 3H5M T 19 -10.279 -9.782 0.420 215 H6 T 19 H6 T 19 -11.221 -8.284 1.941 216 1H5* G 20 1H5* G 20 -11.877 -5.520 7.635 217 2H5* G 20 2H5* G 20 -12.237 -3.783 7.740 218 H4* G 20 H4* G 20 -10.497 -4.176 9.258 219 H3* G 20 H3* G 20 -10.073 -2.332 7.300 220 H1* G 20 H1* G 20 -7.413 -4.858 8.382 221 H8 G 20 H8 G 20 -8.672 -5.624 4.802 222 H1 G 20 H1 G 20 -3.889 -9.316 6.968 223 1H2 G 20 1H2 G 20 -3.449 -8.822 9.075 224 2H2 G 20 2H2 G 20 -4.331 -7.586 9.946 225 1H2* G 20 1H2* G 20 -8.712 -3.688 5.868 226 2H2* G 20 2H2* G 20 -7.478 -2.956 6.884 227 1H5* G 21 1H5* G 21 -7.430 -2.881 10.982 228 2H5* G 21 2H5* G 21 -7.097 -1.272 11.657 229 H4* G 21 H4* G 21 -5.480 -2.789 12.509 230 H3* G 21 H3* G 21 -4.683 -0.471 11.375 231 H1* G 21 H1* G 21 -2.949 -3.849 10.345 232 H8 G 21 H8 G 21 -5.427 -2.345 7.772 233 H1 G 21 H1 G 21 -1.963 -7.361 5.749 234 1H2 G 21 1H2 G 21 -0.697 -8.117 7.385 235 2H2 G 21 2H2 G 21 -0.700 -7.392 8.978 236 1H2* G 21 1H2* G 21 -4.033 -1.242 9.229 237 2H2* G 21 2H2* G 21 -2.527 -1.545 10.082 238 1H5* C 22 1H5* C 22 -2.070 -4.176 11.240 239 2H5* C 22 2H5* C 22 -1.800 -3.727 12.937 240 H4* C 22 H4* C 22 -0.092 -5.157 12.763 241 H3* C 22 H3* C 22 0.972 -2.724 12.715 242 H1* C 22 H1* C 22 1.868 -5.099 9.647 243 1H4 C 22 1H4 C 22 -1.097 -3.751 4.228 244 2H4 C 22 2H4 C 22 -1.905 -2.375 4.942 245 H5 C 22 H5 C 22 -1.684 -1.782 7.275 246 H6 C 22 H6 C 22 -0.627 -2.377 9.391 247 1H2* C 22 1H2* C 22 1.037 -2.294 10.376 248 2H2* C 22 2H2* C 22 2.602 -3.077 10.550 249 1H5* C 23 1H5* C 23 2.748 -6.299 10.798 250 2H5* C 23 2H5* C 23 3.879 -6.718 12.101 251 H4* C 23 H4* C 23 4.644 -8.030 10.398 252 H3* C 23 H3* C 23 6.439 -6.193 11.107 253 H1* C 23 H1* C 23 5.553 -6.499 7.303 254 1H4 C 23 1H4 C 23 2.081 -1.964 4.593 255 2H4 C 23 2H4 C 23 1.782 -1.172 6.123 256 H5 C 23 H5 C 23 2.647 -2.015 8.228 257 H6 C 23 H6 C 23 3.941 -3.795 9.282 258 1H2* C 23 1H2* C 23 5.879 -4.469 9.540 259 2H2* C 23 2H2* C 23 7.120 -5.323 8.634 260 1H5* C 24 1H5* C 24 6.830 -8.543 6.459 261 2H5* C 24 2H5* C 24 8.066 -9.394 7.411 262 H4* C 24 H4* C 24 8.775 -9.608 5.206 263 H3* C 24 H3* C 24 10.511 -8.448 6.850 264 H1* C 24 H1* C 24 9.545 -6.378 3.575 265 1H4 C 24 1H4 C 24 5.430 -1.649 4.596 266 2H4 C 24 2H4 C 24 5.758 -1.694 6.313 267 H5 C 24 H5 C 24 7.189 -3.358 7.338 268 H6 C 24 H6 C 24 8.599 -5.303 6.925 269 1H2* C 24 1H2* C 24 10.006 -6.154 6.543 270 2H2* C 24 2H2* C 24 11.174 -6.335 5.242 271 1H5* T 25 1H5* T 25 9.657 -7.545 2.414 272 2H5* T 25 2H5* T 25 10.630 -9.030 2.419 273 H4* T 25 H4* T 25 10.680 -8.680 0.211 274 H3* T 25 H3* T 25 13.070 -7.973 1.151 275 1H2* T 25 1H2* T 25 12.904 -5.644 1.437 276 2H2* T 25 2H2* T 25 13.208 -5.606 -0.294 277 H1* T 25 H1* T 25 11.042 -5.049 -0.804 278 H3 T 25 H3 T 25 8.781 -1.850 1.364 279 1H5M T 25 1H5M T 25 10.314 -3.839 5.481 280 2H5M T 25 2H5M T 25 11.885 -4.470 4.931 281 3H5M T 25 3H5M T 25 11.631 -2.715 5.071 282 H6 T 25 H6 T 25 11.731 -5.320 2.780 283 1H5* G 26 1H5* G 26 11.736 -6.311 -2.250 284 2H5* G 26 2H5* G 26 12.495 -6.544 -3.838 285 H4* G 26 H4* G 26 11.656 -4.446 -4.070 286 H3* G 26 H3* G 26 14.454 -4.448 -3.710 287 H1* G 26 H1* G 26 11.836 -1.884 -2.603 288 H8 G 26 H8 G 26 13.488 -3.594 0.473 289 H1 G 26 H1 G 26 10.430 1.939 1.601 290 1H2 G 26 1H2 G 26 9.568 2.719 -0.275 291 2H2 G 26 2H2 G 26 9.744 1.880 -1.801 292 1H2* G 26 1H2* G 26 14.512 -3.114 -1.763 293 2H2* G 26 2H2* G 26 14.230 -1.811 -2.909 294 1H5* A 27 1H5* A 27 11.710 -1.296 -5.352 295 2H5* A 27 2H5* A 27 12.277 -1.212 -7.033 296 H4* A 27 H4* A 27 10.909 0.639 -6.804 297 H3* A 27 H3* A 27 13.402 1.202 -7.521 298 H1* A 27 H1* A 27 11.987 3.111 -4.357 299 H8 A 27 H8 A 27 13.978 -0.143 -3.608 300 1H6 A 27 1H6 A 27 14.359 2.036 2.167 301 2H6 A 27 2H6 A 27 14.780 0.720 1.094 302 H2 A 27 H2 A 27 12.043 5.000 -0.287 303 1H2* A 27 1H2* A 27 14.391 1.583 -5.382 304 2H2* A 27 2H2* A 27 13.873 3.218 -5.762 305 1H5* G 28 1H5* G 28 11.137 4.712 -5.717 306 2H5* G 28 2H5* G 28 10.607 5.427 -7.253 307 H4* G 28 H4* G 28 10.394 7.235 -5.908 308 H3* G 28 H3* G 28 12.374 7.659 -7.608 309 H1* G 28 H1* G 28 13.278 8.051 -3.781 310 H8 G 28 H8 G 28 14.494 4.858 -5.546 311 H1 G 28 H1 G 28 15.831 5.272 0.717 312 1H2 G 28 1H2 G 28 14.845 7.044 1.581 313 2H2 G 28 2H2 G 28 13.849 8.117 0.624 314 1H2* G 28 1H2* G 28 14.200 6.754 -6.355 315 2H2* G 28 2H2* G 28 14.298 8.441 -5.870 316 1H5* C 29 1H5* C 29 11.996 10.499 -4.182 317 2H5* C 29 2H5* C 29 11.999 12.224 -4.604 318 H4* C 29 H4* C 29 12.939 12.141 -2.486 319 H3* C 29 H3* C 29 14.588 13.038 -4.536 320 H1* C 29 H1* C 29 15.633 10.898 -1.519 321 1H4 C 29 1H4 C 29 18.709 5.431 -2.393 322 2H4 C 29 2H4 C 29 18.213 5.339 -4.069 323 H5 C 29 H5 C 29 16.819 7.012 -5.123 324 H6 C 29 H6 C 29 15.622 9.111 -4.788 325 1H2* C 29 1H2* C 29 16.154 11.260 -4.513 326 2H2* C 29 2H2* C 29 16.812 12.190 -3.174 327 1H5* C 30 1H5* C 30 15.275 14.016 0.040 328 2H5* C 30 2H5* C 30 15.839 15.700 0.077 329 H4* C 30 H4* C 30 16.572 14.524 2.044 330 H3* C 30 H3* C 30 18.247 16.090 0.613 331 H1* C 30 H1* C 30 19.358 12.520 1.735 332 1H4 C 30 1H4 C 30 20.684 8.292 -2.789 333 2H4 C 30 2H4 C 30 19.602 9.065 -3.926 334 H5 C 30 H5 C 30 18.348 11.068 -3.390 335 H6 C 30 H6 C 30 17.887 12.734 -1.670 336 H3T C 30 H3T C 30 18.319 14.787 3.052 337 1H2* C 30 1H2* C 30 19.395 14.428 -0.636 338 2H2* C 30 2H2* C 30 20.402 14.437 0.805 339 1H ASP 10 1H ASP 10 -4.035 9.602 9.522 340 HA ASP 10 HA ASP 10 -2.755 12.185 9.113 341 1HB ASP 10 1HB ASP 10 -2.767 10.013 7.114 342 2HB ASP 10 2HB ASP 10 -3.239 11.600 6.516 343 H GLU 11 H GLU 11 -4.957 10.768 6.858 344 HA GLU 11 HA GLU 11 -7.039 12.638 7.763 345 1HB GLU 11 1HB GLU 11 -6.063 12.086 4.960 346 2HB GLU 11 2HB GLU 11 -7.599 12.867 5.288 347 1HG GLU 11 1HG GLU 11 -4.935 13.910 6.192 348 2HG GLU 11 2HG GLU 11 -5.790 14.425 4.740 349 H LEU 12 H LEU 12 -9.117 12.083 6.323 350 HA LEU 12 HA LEU 12 -9.659 9.247 6.785 351 1HB LEU 12 1HB LEU 12 -11.527 11.539 6.170 352 2HB LEU 12 2HB LEU 12 -12.024 9.892 6.508 353 HG LEU 12 HG LEU 12 -10.572 11.684 8.457 354 1HD1 LEU 12 1HD1 LEU 12 -13.478 10.890 8.325 355 2HD1 LEU 12 2HD1 LEU 12 -12.823 12.497 8.010 356 3HD1 LEU 12 3HD1 LEU 12 -12.716 11.802 9.628 357 1HD2 LEU 12 1HD2 LEU 12 -11.852 8.975 8.811 358 2HD2 LEU 12 2HD2 LEU 12 -11.150 9.959 10.095 359 3HD2 LEU 12 3HD2 LEU 12 -10.122 9.315 8.814 360 H CYS 13 H CYS 13 -10.445 7.903 5.189 361 HA CYS 13 HA CYS 13 -9.497 8.479 2.549 362 1HB CYS 13 1HB CYS 13 -9.297 6.240 3.526 363 2HB CYS 13 2HB CYS 13 -11.049 6.114 3.625 364 HG CYS 13 HG CYS 13 -10.148 4.485 1.543 365 HA PRO 14 HA PRO 14 -13.321 10.365 1.205 366 1HB PRO 14 1HB PRO 14 -12.601 10.542 -1.435 367 2HB PRO 14 2HB PRO 14 -12.118 11.701 -0.194 368 1HG PRO 14 1HG PRO 14 -10.581 9.418 -1.357 369 2HG PRO 14 2HG PRO 14 -10.023 11.045 -0.930 370 1HD PRO 14 1HD PRO 14 -9.548 8.901 0.636 371 2HD PRO 14 2HD PRO 14 -9.815 10.523 1.306 372 H VAL 15 H VAL 15 -12.096 7.316 0.373 373 HA VAL 15 HA VAL 15 -14.228 6.571 -1.437 374 HB VAL 15 HB VAL 15 -12.107 4.907 -0.058 375 1HG1 VAL 15 1HG1 VAL 15 -12.732 3.116 -1.612 376 2HG1 VAL 15 2HG1 VAL 15 -14.074 4.099 -2.198 377 3HG1 VAL 15 3HG1 VAL 15 -14.059 3.533 -0.528 378 1HG2 VAL 15 1HG2 VAL 15 -11.208 6.458 -1.694 379 2HG2 VAL 15 2HG2 VAL 15 -12.350 5.868 -2.901 380 3HG2 VAL 15 3HG2 VAL 15 -11.092 4.799 -2.282 381 H CYS 16 H CYS 16 -13.351 5.875 1.958 382 HA CYS 16 HA CYS 16 -16.016 4.685 2.315 383 1HB CYS 16 1HB CYS 16 -14.807 2.955 3.780 384 2HB CYS 16 2HB CYS 16 -14.674 2.791 2.031 385 HG CYS 16 HG CYS 16 -12.107 2.966 1.872 386 H GLY 17 H GLY 17 -13.632 6.775 3.556 387 1HA GLY 17 1HA GLY 17 -13.940 8.209 5.391 388 2HA GLY 17 2HA GLY 17 -15.178 7.124 6.005 389 H ASP 18 H ASP 18 -12.719 5.158 5.181 390 HA ASP 18 HA ASP 18 -11.923 4.704 7.886 391 1HB ASP 18 1HB ASP 18 -12.133 2.884 6.224 392 2HB ASP 18 2HB ASP 18 -10.793 3.568 5.314 393 H LYS 19 H LYS 19 -9.588 4.629 8.541 394 HA LYS 19 HA LYS 19 -8.501 7.259 8.120 395 1HB LYS 19 1HB LYS 19 -7.432 4.916 9.708 396 2HB LYS 19 2HB LYS 19 -6.736 6.527 9.715 397 1HG LYS 19 1HG LYS 19 -8.007 6.370 11.678 398 2HG LYS 19 2HG LYS 19 -8.969 7.349 10.572 399 1HD LYS 19 1HD LYS 19 -10.434 5.539 10.109 400 2HD LYS 19 2HD LYS 19 -9.361 4.381 10.896 401 1HE LYS 19 1HE LYS 19 -10.803 6.635 12.287 402 2HE LYS 19 2HE LYS 19 -11.335 4.954 12.266 403 1HZ LYS 19 1HZ LYS 19 -8.810 5.995 13.444 404 2HZ LYS 19 2HZ LYS 19 -9.221 4.351 13.341 405 3HZ LYS 19 3HZ LYS 19 -10.155 5.402 14.293 406 H VAL 20 H VAL 20 -7.024 7.835 6.632 407 HA VAL 20 HA VAL 20 -5.968 5.845 4.861 408 HB VAL 20 HB VAL 20 -5.004 7.610 3.588 409 1HG1 VAL 20 1HG1 VAL 20 -6.929 9.061 3.187 410 2HG1 VAL 20 2HG1 VAL 20 -7.654 8.501 4.694 411 3HG1 VAL 20 3HG1 VAL 20 -7.394 7.369 3.366 412 1HG2 VAL 20 1HG2 VAL 20 -4.904 9.923 4.301 413 2HG2 VAL 20 2HG2 VAL 20 -4.010 8.896 5.422 414 3HG2 VAL 20 3HG2 VAL 20 -5.611 9.493 5.860 415 H SER 21 H SER 21 -3.924 5.089 4.666 416 HA SER 21 HA SER 21 -2.189 5.510 6.972 417 1HB SER 21 1HB SER 21 -2.696 3.197 6.345 418 2HB SER 21 2HB SER 21 -2.061 3.479 4.726 419 HG SER 21 HG SER 21 -0.110 4.180 6.225 420 H GLY 22 H GLY 22 -2.631 7.074 4.219 421 1HA GLY 22 1HA GLY 22 -0.880 8.831 3.881 422 2HA GLY 22 2HA GLY 22 0.252 7.492 3.754 423 H TYR 23 H TYR 23 0.410 9.049 1.728 424 HA TYR 23 HA TYR 23 -1.394 8.826 -0.374 425 1HB TYR 23 1HB TYR 23 1.589 9.259 -0.426 426 2HB TYR 23 2HB TYR 23 0.527 9.462 -1.822 427 HD1 TYR 23 HD1 TYR 23 -1.389 11.120 -1.620 428 HD2 TYR 23 HD2 TYR 23 1.870 11.013 1.106 429 HE1 TYR 23 HE1 TYR 23 -1.942 13.397 -0.883 430 HE2 TYR 23 HE2 TYR 23 1.329 13.293 1.850 431 HH TYR 23 HH TYR 23 0.115 15.331 0.793 432 H HIS 24 H HIS 24 -2.098 7.134 -1.365 433 HA HIS 24 HA HIS 24 -0.223 4.988 -2.085 434 1HB HIS 24 1HB HIS 24 -3.064 4.606 -1.103 435 2HB HIS 24 2HB HIS 24 -2.029 3.334 -1.726 436 HD1 HIS 24 HD1 HIS 24 0.517 4.414 0.006 437 HD2 HIS 24 HD2 HIS 24 -3.273 3.405 1.379 438 HE1 HIS 24 HE1 HIS 24 0.820 3.765 2.419 439 HE2 HIS 24 HE2 HIS 24 -1.440 2.883 3.126 440 H TYR 25 H TYR 25 -0.174 4.768 -4.218 441 HA TYR 25 HA TYR 25 -0.840 4.405 -6.344 442 1HB TYR 25 1HB TYR 25 -3.652 4.628 -5.251 443 2HB TYR 25 2HB TYR 25 -3.244 4.122 -6.887 444 HD1 TYR 25 HD1 TYR 25 -2.882 3.207 -3.313 445 HD2 TYR 25 HD2 TYR 25 -2.641 1.877 -7.344 446 HE1 TYR 25 HE1 TYR 25 -2.649 0.895 -2.528 447 HE2 TYR 25 HE2 TYR 25 -2.409 -0.444 -6.565 448 HH TYR 25 HH TYR 25 -1.700 -1.645 -4.602 449 H GLY 26 H GLY 26 -3.326 6.728 -5.253 450 1HA GLY 26 1HA GLY 26 -2.195 8.634 -7.209 451 2HA GLY 26 2HA GLY 26 -3.922 8.329 -7.135 452 H LEU 27 H LEU 27 -3.723 8.140 -4.135 453 HA LEU 27 HA LEU 27 -2.884 10.726 -3.236 454 1HB LEU 27 1HB LEU 27 -4.996 11.606 -2.572 455 2HB LEU 27 2HB LEU 27 -5.115 11.213 -4.270 456 HG LEU 27 HG LEU 27 -6.178 9.424 -2.085 457 1HD1 LEU 27 1HD1 LEU 27 -7.642 11.482 -3.732 458 2HD1 LEU 27 2HD1 LEU 27 -7.313 11.577 -2.002 459 3HD1 LEU 27 3HD1 LEU 27 -8.384 10.323 -2.629 460 1HD2 LEU 27 1HD2 LEU 27 -7.452 8.398 -3.873 461 2HD2 LEU 27 2HD2 LEU 27 -5.730 8.335 -4.246 462 3HD2 LEU 27 3HD2 LEU 27 -6.763 9.521 -5.043 463 H LEU 28 H LEU 28 -4.041 10.905 -0.843 464 HA LEU 28 HA LEU 28 -2.967 8.586 0.452 465 1HB LEU 28 1HB LEU 28 -3.207 9.682 2.515 466 2HB LEU 28 2HB LEU 28 -2.556 10.812 1.359 467 HG LEU 28 HG LEU 28 -5.416 10.778 2.318 468 1HD1 LEU 28 1HD1 LEU 28 -4.707 12.725 3.621 469 2HD1 LEU 28 2HD1 LEU 28 -3.052 12.486 3.049 470 3HD1 LEU 28 3HD1 LEU 28 -3.815 11.268 4.067 471 1HD2 LEU 28 1HD2 LEU 28 -3.869 12.697 0.573 472 2HD2 LEU 28 2HD2 LEU 28 -5.385 13.110 1.370 473 3HD2 LEU 28 3HD2 LEU 28 -5.349 11.824 0.167 474 H THR 29 H THR 29 -3.949 6.830 0.794 475 HA THR 29 HA THR 29 -6.836 6.813 1.314 476 HB THR 29 HB THR 29 -6.810 4.572 0.044 477 HG1 THR 29 HG1 THR 29 -4.856 5.531 -1.628 478 1HG2 THR 29 1HG2 THR 29 -7.977 6.562 -0.766 479 2HG2 THR 29 2HG2 THR 29 -7.221 5.691 -2.101 480 3HG2 THR 29 3HG2 THR 29 -6.477 7.163 -1.475 481 H CYS 30 H CYS 30 -7.499 4.617 2.210 482 HA CYS 30 HA CYS 30 -5.736 4.077 4.440 483 1HB CYS 30 1HB CYS 30 -7.662 2.715 5.256 484 2HB CYS 30 2HB CYS 30 -8.067 4.399 4.941 485 HG CYS 30 HG CYS 30 -10.132 2.538 4.197 486 H GLU 31 H GLU 31 -5.461 1.788 5.150 487 HA GLU 31 HA GLU 31 -4.254 0.246 3.115 488 1HB GLU 31 1HB GLU 31 -5.053 -0.516 5.930 489 2HB GLU 31 2HB GLU 31 -4.015 -1.477 4.882 490 1HG GLU 31 1HG GLU 31 -3.427 1.308 5.861 491 2HG GLU 31 2HG GLU 31 -2.724 -0.180 6.493 492 H SER 32 H SER 32 -7.412 0.258 4.587 493 HA SER 32 HA SER 32 -8.479 -2.124 3.679 494 1HB SER 32 1HB SER 32 -9.834 0.582 3.850 495 2HB SER 32 2HB SER 32 -10.661 -0.974 3.770 496 HG SER 32 HG SER 32 -9.554 0.297 5.911 497 H CYS 33 H CYS 33 -8.244 0.996 1.975 498 HA CYS 33 HA CYS 33 -9.411 -0.066 -0.419 499 1HB CYS 33 1HB CYS 33 -8.005 2.544 0.148 500 2HB CYS 33 2HB CYS 33 -8.703 2.133 -1.417 501 HG CYS 33 HG CYS 33 -10.999 3.093 -0.859 502 H LYS 34 H LYS 34 -6.112 0.780 0.619 503 HA LYS 34 HA LYS 34 -4.715 0.211 -1.699 504 1HB LYS 34 1HB LYS 34 -3.788 1.043 0.520 505 2HB LYS 34 2HB LYS 34 -3.781 -0.632 1.053 506 1HG LYS 34 1HG LYS 34 -2.251 -1.201 -0.776 507 2HG LYS 34 2HG LYS 34 -2.250 0.485 -1.291 508 1HD LYS 34 1HD LYS 34 -0.311 0.355 -0.032 509 2HD LYS 34 2HD LYS 34 -1.476 0.964 1.143 510 1HE LYS 34 1HE LYS 34 -1.801 -1.327 1.979 511 2HE LYS 34 2HE LYS 34 -0.600 -1.907 0.826 512 1HZ LYS 34 1HZ LYS 34 0.932 -0.206 1.974 513 2HZ LYS 34 2HZ LYS 34 0.596 -1.657 2.772 514 3HZ LYS 34 3HZ LYS 34 -0.210 -0.241 3.235 515 H GLY 35 H GLY 35 -5.658 -2.075 0.859 516 1HA GLY 35 1HA GLY 35 -4.585 -4.382 -0.376 517 2HA GLY 35 2HA GLY 35 -5.803 -4.362 0.890 518 H PHE 36 H PHE 36 -7.944 -3.186 -0.231 519 HA PHE 36 HA PHE 36 -9.064 -5.261 -1.748 520 1HB PHE 36 1HB PHE 36 -10.406 -3.725 -0.379 521 2HB PHE 36 2HB PHE 36 -10.020 -2.403 -1.474 522 HD1 PHE 36 HD1 PHE 36 -11.805 -5.621 -1.187 523 HD2 PHE 36 HD2 PHE 36 -11.232 -2.077 -3.475 524 HE1 PHE 36 HE1 PHE 36 -13.776 -6.184 -2.546 525 HE2 PHE 36 HE2 PHE 36 -13.202 -2.636 -4.838 526 HZ PHE 36 HZ PHE 36 -14.476 -4.691 -4.375 527 H PHE 37 H PHE 37 -7.723 -2.140 -2.727 528 HA PHE 37 HA PHE 37 -8.493 -2.174 -5.407 529 1HB PHE 37 1HB PHE 37 -7.408 -0.268 -4.103 530 2HB PHE 37 2HB PHE 37 -5.869 -1.061 -4.416 531 HD1 PHE 37 HD1 PHE 37 -8.717 0.679 -5.938 532 HD2 PHE 37 HD2 PHE 37 -4.848 -0.971 -6.577 533 HE1 PHE 37 HE1 PHE 37 -8.589 1.831 -8.107 534 HE2 PHE 37 HE2 PHE 37 -4.713 0.178 -8.748 535 HZ PHE 37 HZ PHE 37 -6.584 1.583 -9.514 536 H LYS 38 H LYS 38 -5.455 -3.338 -3.913 537 HA LYS 38 HA LYS 38 -4.353 -4.380 -6.272 538 1HB LYS 38 1HB LYS 38 -3.936 -4.927 -3.377 539 2HB LYS 38 2HB LYS 38 -3.297 -6.089 -4.531 540 1HG LYS 38 1HG LYS 38 -2.092 -4.237 -5.649 541 2HG LYS 38 2HG LYS 38 -2.650 -3.158 -4.368 542 1HD LYS 38 1HD LYS 38 -0.970 -5.633 -3.971 543 2HD LYS 38 2HD LYS 38 -0.370 -3.974 -3.956 544 1HE LYS 38 1HE LYS 38 -2.376 -5.167 -2.047 545 2HE LYS 38 2HE LYS 38 -0.689 -4.798 -1.689 546 1HZ LYS 38 1HZ LYS 38 -1.178 -2.455 -2.140 547 2HZ LYS 38 2HZ LYS 38 -2.110 -3.060 -0.866 548 3HZ LYS 38 3HZ LYS 38 -2.809 -2.835 -2.391 549 H ARG 39 H ARG 39 -6.376 -6.014 -3.822 550 HA ARG 39 HA ARG 39 -6.184 -8.570 -4.908 551 1HB ARG 39 1HB ARG 39 -8.452 -7.357 -3.338 552 2HB ARG 39 2HB ARG 39 -8.275 -9.075 -3.676 553 1HG ARG 39 1HG ARG 39 -6.366 -7.367 -2.113 554 2HG ARG 39 2HG ARG 39 -7.489 -8.551 -1.443 555 1HD ARG 39 1HD ARG 39 -5.152 -9.093 -3.272 556 2HD ARG 39 2HD ARG 39 -5.245 -9.466 -1.553 557 HE ARG 39 HE ARG 39 -7.237 -10.932 -2.333 558 1HH1 ARG 39 1HH1 ARG 39 -4.287 -10.348 -4.138 559 2HH1 ARG 39 2HH1 ARG 39 -4.276 -11.910 -4.899 560 1HH2 ARG 39 1HH2 ARG 39 -7.230 -13.007 -3.321 561 2HH2 ARG 39 2HH2 ARG 39 -5.956 -13.427 -4.433 562 H THR 40 H THR 40 -8.617 -6.063 -5.490 563 HA THR 40 HA THR 40 -10.225 -7.541 -7.262 564 HB THR 40 HB THR 40 -9.830 -4.543 -7.272 565 HG1 THR 40 HG1 THR 40 -10.360 -5.006 -5.191 566 1HG2 THR 40 1HG2 THR 40 -12.167 -4.504 -8.020 567 2HG2 THR 40 2HG2 THR 40 -12.197 -6.267 -8.016 568 3HG2 THR 40 3HG2 THR 40 -11.150 -5.406 -9.144 569 H VAL 41 H VAL 41 -7.613 -5.211 -7.871 570 HA VAL 41 HA VAL 41 -7.712 -5.318 -10.682 571 HB VAL 41 HB VAL 41 -5.544 -4.490 -8.759 572 1HG1 VAL 41 1HG1 VAL 41 -5.502 -4.103 -11.748 573 2HG1 VAL 41 2HG1 VAL 41 -4.514 -5.271 -10.869 574 3HG1 VAL 41 3HG1 VAL 41 -4.298 -3.539 -10.579 575 1HG2 VAL 41 1HG2 VAL 41 -6.137 -2.239 -9.528 576 2HG2 VAL 41 2HG2 VAL 41 -7.517 -3.077 -8.818 577 3HG2 VAL 41 3HG2 VAL 41 -7.381 -2.930 -10.570 578 H GLN 42 H GLN 42 -5.610 -7.017 -8.365 579 HA GLN 42 HA GLN 42 -4.014 -8.300 -10.313 580 1HB GLN 42 1HB GLN 42 -4.563 -8.998 -7.437 581 2HB GLN 42 2HB GLN 42 -3.341 -9.788 -8.422 582 1HG GLN 42 1HG GLN 42 -2.114 -7.748 -8.648 583 2HG GLN 42 2HG GLN 42 -3.398 -6.837 -7.852 584 1HE2 GLN 42 1HE2 GLN 42 -0.573 -7.136 -7.166 585 2HE2 GLN 42 2HE2 GLN 42 -0.539 -7.756 -5.549 586 H ASN 43 H ASN 43 -7.033 -9.227 -8.734 587 HA ASN 43 HA ASN 43 -6.895 -11.919 -9.816 588 1HB ASN 43 1HB ASN 43 -9.012 -10.436 -8.250 589 2HB ASN 43 2HB ASN 43 -9.256 -12.061 -8.875 590 1HD2 ASN 43 1HD2 ASN 43 -6.161 -10.969 -7.675 591 2HD2 ASN 43 2HD2 ASN 43 -6.162 -11.942 -6.249 592 H ASN 44 H ASN 44 -7.530 -8.952 -11.000 593 HA ASN 44 HA ASN 44 -8.535 -8.086 -12.834 594 1HB ASN 44 1HB ASN 44 -8.790 -10.961 -13.751 595 2HB ASN 44 2HB ASN 44 -8.891 -9.528 -14.765 596 1HD2 ASN 44 1HD2 ASN 44 -6.619 -8.328 -13.117 597 2HD2 ASN 44 2HD2 ASN 44 -5.213 -9.075 -13.789 598 H LYS 45 H LYS 45 -10.038 -8.819 -10.506 599 HA LYS 45 HA LYS 45 -12.490 -10.060 -11.261 600 1HB LYS 45 1HB LYS 45 -11.478 -8.673 -8.809 601 2HB LYS 45 2HB LYS 45 -13.173 -9.092 -8.948 602 1HG LYS 45 1HG LYS 45 -12.519 -11.448 -9.327 603 2HG LYS 45 2HG LYS 45 -10.841 -10.983 -9.044 604 1HD LYS 45 1HD LYS 45 -11.382 -10.276 -6.794 605 2HD LYS 45 2HD LYS 45 -13.092 -10.615 -7.071 606 1HE LYS 45 1HE LYS 45 -12.535 -12.987 -7.430 607 2HE LYS 45 2HE LYS 45 -10.845 -12.627 -7.080 608 1HZ LYS 45 1HZ LYS 45 -11.494 -11.915 -4.865 609 2HZ LYS 45 2HZ LYS 45 -11.970 -13.515 -5.145 610 3HZ LYS 45 3HZ LYS 45 -13.119 -12.270 -5.204 611 H HIS 46 H HIS 46 -13.966 -9.152 -12.448 612 HA HIS 46 HA HIS 46 -14.255 -6.229 -12.340 613 1HB HIS 46 1HB HIS 46 -15.125 -8.167 -14.498 614 2HB HIS 46 2HB HIS 46 -15.352 -6.420 -14.541 615 HD1 HIS 46 HD1 HIS 46 -13.562 -8.311 -16.499 616 HD2 HIS 46 HD2 HIS 46 -12.233 -5.701 -13.542 617 HE1 HIS 46 HE1 HIS 46 -11.204 -7.703 -17.134 618 HE2 HIS 46 HE2 HIS 46 -10.517 -5.940 -15.464 619 H TYR 47 H TYR 47 -15.471 -6.312 -10.442 620 HA TYR 47 HA TYR 47 -17.900 -7.753 -10.208 621 1HB TYR 47 1HB TYR 47 -16.867 -5.310 -8.758 622 2HB TYR 47 2HB TYR 47 -18.368 -6.124 -8.340 623 HD1 TYR 47 HD1 TYR 47 -18.271 -8.504 -7.528 624 HD2 TYR 47 HD2 TYR 47 -14.787 -6.103 -7.967 625 HE1 TYR 47 HE1 TYR 47 -17.052 -10.009 -6.015 626 HE2 TYR 47 HE2 TYR 47 -13.556 -7.607 -6.459 627 HH TYR 47 HH TYR 47 -14.783 -10.656 -5.484 628 H THR 48 H THR 48 -20.044 -6.710 -10.014 629 HA THR 48 HA THR 48 -20.317 -4.367 -11.764 630 HB THR 48 HB THR 48 -20.917 -6.490 -12.976 631 HG1 THR 48 HG1 THR 48 -22.203 -5.199 -14.037 632 1HG2 THR 48 1HG2 THR 48 -21.881 -7.729 -11.104 633 2HG2 THR 48 2HG2 THR 48 -23.049 -7.574 -12.417 634 3HG2 THR 48 3HG2 THR 48 -23.190 -6.553 -10.985 635 H CYS 49 H CYS 49 -22.815 -3.700 -11.578 636 HA CYS 49 HA CYS 49 -23.926 -3.974 -8.947 637 1HB CYS 49 1HB CYS 49 -22.124 -2.319 -8.535 638 2HB CYS 49 2HB CYS 49 -22.802 -1.285 -9.786 639 HG CYS 49 HG CYS 49 -24.872 -2.144 -7.252 640 H THR 50 H THR 50 -26.011 -2.891 -8.804 641 HA THR 50 HA THR 50 -27.177 -2.507 -11.467 642 HB THR 50 HB THR 50 -29.373 -2.758 -10.193 643 HG1 THR 50 HG1 THR 50 -29.080 -3.915 -8.151 644 1HG2 THR 50 1HG2 THR 50 -27.442 -5.082 -10.200 645 2HG2 THR 50 2HG2 THR 50 -28.439 -4.557 -11.557 646 3HG2 THR 50 3HG2 THR 50 -29.199 -5.205 -10.103 647 H GLU 51 H GLU 51 -28.634 -0.821 -11.848 648 HA GLU 51 HA GLU 51 -29.407 1.291 -11.852 649 1HB GLU 51 1HB GLU 51 -29.193 1.085 -8.848 650 2HB GLU 51 2HB GLU 51 -30.151 2.258 -9.741 651 1HG GLU 51 1HG GLU 51 -30.566 -0.722 -9.671 652 2HG GLU 51 2HG GLU 51 -31.569 0.505 -8.897 653 H SER 52 H SER 52 -27.616 1.927 -8.902 654 HA SER 52 HA SER 52 -26.648 4.361 -9.960 655 1HB SER 52 1HB SER 52 -25.703 2.942 -7.463 656 2HB SER 52 2HB SER 52 -25.618 4.671 -7.808 657 HG SER 52 HG SER 52 -28.034 4.451 -8.009 658 H GLN 53 H GLN 53 -24.891 1.442 -8.907 659 HA GLN 53 HA GLN 53 -22.914 0.529 -9.494 660 1HB GLN 53 1HB GLN 53 -23.110 2.342 -11.897 661 2HB GLN 53 2HB GLN 53 -21.870 1.116 -11.677 662 1HG GLN 53 1HG GLN 53 -23.760 -0.555 -11.460 663 2HG GLN 53 2HG GLN 53 -24.820 0.728 -12.044 664 1HE2 GLN 53 1HE2 GLN 53 -24.121 -1.844 -13.234 665 2HE2 GLN 53 2HE2 GLN 53 -23.461 -1.486 -14.795 666 H SER 54 H SER 54 -23.099 4.010 -9.461 667 HA SER 54 HA SER 54 -20.350 4.130 -8.437 668 1HB SER 54 1HB SER 54 -22.203 6.391 -9.242 669 2HB SER 54 2HB SER 54 -20.498 6.538 -8.814 670 HG SER 54 HG SER 54 -20.352 4.849 -10.663 671 H CYS 55 H CYS 55 -22.167 2.900 -6.809 672 HA CYS 55 HA CYS 55 -23.624 4.555 -5.073 673 1HB CYS 55 1HB CYS 55 -22.460 1.818 -4.526 674 2HB CYS 55 2HB CYS 55 -23.751 2.595 -3.614 675 HG CYS 55 HG CYS 55 -25.716 1.899 -5.138 676 H LYS 56 H LYS 56 -23.155 4.465 -2.617 677 HA LYS 56 HA LYS 56 -20.573 5.801 -2.303 678 1HB LYS 56 1HB LYS 56 -22.775 5.676 -0.254 679 2HB LYS 56 2HB LYS 56 -21.504 6.880 -0.419 680 1HG LYS 56 1HG LYS 56 -22.548 7.610 -2.547 681 2HG LYS 56 2HG LYS 56 -23.874 6.490 -2.230 682 1HD LYS 56 1HD LYS 56 -24.163 7.700 -0.015 683 2HD LYS 56 2HD LYS 56 -23.078 8.931 -0.666 684 1HE LYS 56 1HE LYS 56 -25.727 8.058 -1.804 685 2HE LYS 56 2HE LYS 56 -25.359 9.603 -1.041 686 1HZ LYS 56 1HZ LYS 56 -24.031 8.651 -3.523 687 2HZ LYS 56 2HZ LYS 56 -23.971 10.206 -2.850 688 3HZ LYS 56 3HZ LYS 56 -25.417 9.625 -3.515 689 H ILE 57 H ILE 57 -19.115 5.236 -0.672 690 HA ILE 57 HA ILE 57 -19.520 2.523 0.401 691 HB ILE 57 HB ILE 57 -16.916 3.852 -0.368 692 1HG1 ILE 57 1HG1 ILE 57 -18.203 3.181 -2.321 693 2HG1 ILE 57 2HG1 ILE 57 -16.826 2.104 -2.116 694 1HG2 ILE 57 1HG2 ILE 57 -17.414 1.057 0.647 695 2HG2 ILE 57 2HG2 ILE 57 -16.671 2.367 1.564 696 3HG2 ILE 57 3HG2 ILE 57 -15.861 1.721 0.135 697 1HD1 ILE 57 1HD1 ILE 57 -18.294 0.420 -1.126 698 2HD1 ILE 57 2HD1 ILE 57 -18.816 0.872 -2.749 699 3HD1 ILE 57 3HD1 ILE 57 -19.672 1.501 -1.341 700 H ASP 58 H ASP 58 -19.645 2.392 2.528 701 HA ASP 58 HA ASP 58 -18.442 4.538 4.154 702 1HB ASP 58 1HB ASP 58 -21.102 3.144 4.506 703 2HB ASP 58 2HB ASP 58 -20.331 4.055 5.797 704 H LYS 59 H LYS 59 -18.652 3.604 6.617 705 HA LYS 59 HA LYS 59 -16.948 1.357 6.825 706 1HB LYS 59 1HB LYS 59 -17.206 3.141 8.555 707 2HB LYS 59 2HB LYS 59 -18.811 2.525 8.910 708 1HG LYS 59 1HG LYS 59 -16.481 0.688 9.099 709 2HG LYS 59 2HG LYS 59 -16.759 1.866 10.383 710 1HD LYS 59 1HD LYS 59 -19.083 0.978 10.589 711 2HD LYS 59 2HD LYS 59 -18.651 -0.281 9.429 712 1HE LYS 59 1HE LYS 59 -18.458 -1.133 11.683 713 2HE LYS 59 2HE LYS 59 -16.863 -1.029 10.938 714 1HZ LYS 59 1HZ LYS 59 -16.773 -0.204 13.182 715 2HZ LYS 59 2HZ LYS 59 -18.026 0.899 12.880 716 3HZ LYS 59 3HZ LYS 59 -16.526 1.087 12.113 717 H THR 60 H THR 60 -20.360 1.813 6.659 718 HA THR 60 HA THR 60 -21.004 -0.945 7.238 719 HB THR 60 HB THR 60 -23.337 -0.125 6.525 720 HG1 THR 60 HG1 THR 60 -23.279 2.346 6.866 721 1HG2 THR 60 1HG2 THR 60 -22.677 -0.403 8.869 722 2HG2 THR 60 2HG2 THR 60 -23.704 1.016 8.664 723 3HG2 THR 60 3HG2 THR 60 -21.962 1.209 8.863 724 H GLN 61 H GLN 61 -21.115 1.265 4.455 725 HA GLN 61 HA GLN 61 -22.165 -0.766 2.717 726 1HB GLN 61 1HB GLN 61 -21.195 2.013 2.063 727 2HB GLN 61 2HB GLN 61 -22.044 0.947 0.956 728 1HG GLN 61 1HG GLN 61 -23.925 0.937 2.670 729 2HG GLN 61 2HG GLN 61 -23.088 2.297 3.419 730 1HE2 GLN 61 1HE2 GLN 61 -22.907 4.258 2.270 731 2HE2 GLN 61 2HE2 GLN 61 -23.979 4.618 0.953 732 H ARG 62 H ARG 62 -19.225 -0.632 3.903 733 HA ARG 62 HA ARG 62 -17.505 -0.482 1.682 734 1HB ARG 62 1HB ARG 62 -15.834 -1.599 3.144 735 2HB ARG 62 2HB ARG 62 -16.596 -0.197 3.876 736 1HG ARG 62 1HG ARG 62 -18.094 -1.731 5.128 737 2HG ARG 62 2HG ARG 62 -17.183 -3.091 4.467 738 1HD ARG 62 1HD ARG 62 -15.153 -2.282 5.519 739 2HD ARG 62 2HD ARG 62 -16.000 -0.846 6.097 740 HE ARG 62 HE ARG 62 -17.394 -2.990 7.129 741 1HH1 ARG 62 1HH1 ARG 62 -14.085 -1.838 7.299 742 2HH1 ARG 62 2HH1 ARG 62 -13.845 -2.362 8.936 743 1HH2 ARG 62 1HH2 ARG 62 -17.075 -3.686 9.303 744 2HH2 ARG 62 2HH2 ARG 62 -15.534 -3.408 10.072 745 H LYS 63 H LYS 63 -19.298 -3.191 3.040 746 HA LYS 63 HA LYS 63 -18.057 -4.983 1.087 747 1HB LYS 63 1HB LYS 63 -19.974 -5.586 3.337 748 2HB LYS 63 2HB LYS 63 -19.298 -6.784 2.246 749 1HG LYS 63 1HG LYS 63 -17.015 -5.979 3.065 750 2HG LYS 63 2HG LYS 63 -17.913 -5.186 4.366 751 1HD LYS 63 1HD LYS 63 -18.939 -7.358 4.936 752 2HD LYS 63 2HD LYS 63 -17.961 -8.126 3.686 753 1HE LYS 63 1HE LYS 63 -15.929 -7.309 4.893 754 2HE LYS 63 2HE LYS 63 -16.992 -6.768 6.194 755 1HZ LYS 63 1HZ LYS 63 -17.826 -9.154 6.218 756 2HZ LYS 63 2HZ LYS 63 -16.278 -8.879 6.841 757 3HZ LYS 63 3HZ LYS 63 -16.457 -9.536 5.290 758 H ARG 64 H ARG 64 -20.657 -2.925 1.177 759 HA ARG 64 HA ARG 64 -22.741 -4.572 0.220 760 1HB ARG 64 1HB ARG 64 -22.293 -1.631 0.410 761 2HB ARG 64 2HB ARG 64 -23.638 -2.230 -0.548 762 1HG ARG 64 1HG ARG 64 -24.232 -1.618 1.773 763 2HG ARG 64 2HG ARG 64 -24.617 -3.281 1.350 764 1HD ARG 64 1HD ARG 64 -22.005 -2.705 2.652 765 2HD ARG 64 2HD ARG 64 -23.465 -2.659 3.640 766 HE ARG 64 HE ARG 64 -23.396 -5.046 2.116 767 1HH1 ARG 64 1HH1 ARG 64 -21.848 -3.507 4.864 768 2HH1 ARG 64 2HH1 ARG 64 -21.460 -5.015 5.646 769 1HH2 ARG 64 1HH2 ARG 64 -22.916 -7.026 3.170 770 2HH2 ARG 64 2HH2 ARG 64 -22.084 -6.998 4.697 771 H CYS 65 H CYS 65 -20.964 -2.029 -1.542 772 HA CYS 65 HA CYS 65 -21.439 -3.599 -3.982 773 1HB CYS 65 1HB CYS 65 -21.209 -0.610 -3.628 774 2HB CYS 65 2HB CYS 65 -21.238 -1.412 -5.193 775 HG CYS 65 HG CYS 65 -23.748 -0.512 -5.077 776 HA PRO 66 HA PRO 66 -16.921 -3.891 -3.478 777 1HB PRO 66 1HB PRO 66 -16.705 -5.854 -5.404 778 2HB PRO 66 2HB PRO 66 -16.988 -6.158 -3.688 779 1HG PRO 66 1HG PRO 66 -18.935 -6.096 -5.949 780 2HG PRO 66 2HG PRO 66 -18.873 -7.183 -4.550 781 1HD PRO 66 1HD PRO 66 -20.612 -5.133 -4.693 782 2HD PRO 66 2HD PRO 66 -19.889 -5.649 -3.155 783 H PHE 67 H PHE 67 -18.721 -3.883 -6.545 784 HA PHE 67 HA PHE 67 -16.629 -2.901 -8.153 785 1HB PHE 67 1HB PHE 67 -18.563 -3.862 -9.215 786 2HB PHE 67 2HB PHE 67 -19.629 -2.679 -8.462 787 HD1 PHE 67 HD1 PHE 67 -16.615 -2.776 -10.666 788 HD2 PHE 67 HD2 PHE 67 -20.325 -0.905 -9.742 789 HE1 PHE 67 HE1 PHE 67 -16.351 -1.297 -12.614 790 HE2 PHE 67 HE2 PHE 67 -20.065 0.576 -11.688 791 HZ PHE 67 HZ PHE 67 -18.078 0.382 -13.127 792 H CYS 68 H CYS 68 -19.221 -1.241 -6.393 793 HA CYS 68 HA CYS 68 -18.547 1.351 -7.285 794 1HB CYS 68 1HB CYS 68 -19.975 0.581 -4.736 795 2HB CYS 68 2HB CYS 68 -20.040 2.144 -5.549 796 HG CYS 68 HG CYS 68 -21.124 0.805 -7.930 797 H ARG 69 H ARG 69 -17.453 -0.632 -4.627 798 HA ARG 69 HA ARG 69 -15.994 1.377 -3.271 799 1HB ARG 69 1HB ARG 69 -16.566 -0.743 -2.214 800 2HB ARG 69 2HB ARG 69 -15.592 -1.616 -3.387 801 1HG ARG 69 1HG ARG 69 -13.579 -0.595 -2.524 802 2HG ARG 69 2HG ARG 69 -14.532 0.370 -1.392 803 1HD ARG 69 1HD ARG 69 -15.253 -1.585 -0.227 804 2HD ARG 69 2HD ARG 69 -14.545 -2.639 -1.451 805 HE ARG 69 HE ARG 69 -12.442 -1.182 -0.527 806 1HH1 ARG 69 1HH1 ARG 69 -14.881 -3.173 0.987 807 2HH1 ARG 69 2HH1 ARG 69 -13.828 -3.737 2.244 808 1HH2 ARG 69 1HH2 ARG 69 -11.034 -1.928 1.108 809 2HH2 ARG 69 2HH2 ARG 69 -11.631 -3.009 2.325 810 H PHE 70 H PHE 70 -15.121 -0.986 -5.758 811 HA PHE 70 HA PHE 70 -12.418 -0.229 -6.008 812 1HB PHE 70 1HB PHE 70 -13.221 -2.349 -6.881 813 2HB PHE 70 2HB PHE 70 -14.301 -1.520 -7.995 814 HD1 PHE 70 HD1 PHE 70 -10.672 -1.653 -7.133 815 HD2 PHE 70 HD2 PHE 70 -13.630 -1.300 -10.171 816 HE1 PHE 70 HE1 PHE 70 -8.909 -1.671 -8.847 817 HE2 PHE 70 HE2 PHE 70 -11.873 -1.317 -11.890 818 HZ PHE 70 HZ PHE 70 -9.508 -1.502 -11.230 819 H GLN 71 H GLN 71 -15.320 0.745 -7.833 820 HA GLN 71 HA GLN 71 -13.880 2.548 -9.491 821 1HB GLN 71 1HB GLN 71 -16.015 3.280 -10.332 822 2HB GLN 71 2HB GLN 71 -16.035 1.537 -10.167 823 1HG GLN 71 1HG GLN 71 -18.106 2.115 -9.385 824 2HG GLN 71 2HG GLN 71 -17.174 1.992 -7.897 825 1HE2 GLN 71 1HE2 GLN 71 -17.025 4.680 -10.176 826 2HE2 GLN 71 2HE2 GLN 71 -17.707 5.851 -9.096 827 H LYS 72 H LYS 72 -15.167 2.778 -6.297 828 HA LYS 72 HA LYS 72 -15.228 5.625 -6.144 829 1HB LYS 72 1HB LYS 72 -16.250 3.887 -4.502 830 2HB LYS 72 2HB LYS 72 -14.644 3.842 -3.790 831 1HG LYS 72 1HG LYS 72 -15.605 5.425 -2.468 832 2HG LYS 72 2HG LYS 72 -14.967 6.463 -3.744 833 1HD LYS 72 1HD LYS 72 -17.798 5.427 -3.533 834 2HD LYS 72 2HD LYS 72 -17.260 7.075 -3.204 835 1HE LYS 72 1HE LYS 72 -16.872 7.538 -5.428 836 2HE LYS 72 2HE LYS 72 -16.710 5.838 -5.854 837 1HZ LYS 72 1HZ LYS 72 -18.766 6.686 -6.705 838 2HZ LYS 72 2HZ LYS 72 -19.227 7.269 -5.184 839 3HZ LYS 72 3HZ LYS 72 -19.119 5.599 -5.455 840 H CYS 73 H CYS 73 -12.824 3.140 -5.468 841 HA CYS 73 HA CYS 73 -10.746 4.801 -4.580 842 1HB CYS 73 1HB CYS 73 -10.543 2.234 -6.177 843 2HB CYS 73 2HB CYS 73 -9.258 2.959 -5.216 844 HG CYS 73 HG CYS 73 -12.174 1.631 -4.008 845 H LEU 74 H LEU 74 -11.778 3.831 -7.821 846 HA LEU 74 HA LEU 74 -9.746 5.282 -9.196 847 1HB LEU 74 1HB LEU 74 -12.471 4.421 -10.148 848 2HB LEU 74 2HB LEU 74 -11.164 4.976 -11.172 849 HG LEU 74 HG LEU 74 -11.126 2.476 -9.486 850 1HD1 LEU 74 1HD1 LEU 74 -12.656 2.313 -11.355 851 2HD1 LEU 74 2HD1 LEU 74 -11.217 1.331 -11.647 852 3HD1 LEU 74 3HD1 LEU 74 -11.402 2.891 -12.451 853 1HD2 LEU 74 1HD2 LEU 74 -9.142 3.547 -11.486 854 2HD2 LEU 74 2HD2 LEU 74 -9.050 1.984 -10.675 855 3HD2 LEU 74 3HD2 LEU 74 -8.914 3.473 -9.740 856 H THR 75 H THR 75 -12.984 6.042 -8.080 857 HA THR 75 HA THR 75 -13.395 8.494 -9.335 858 HB THR 75 HB THR 75 -14.300 7.509 -6.623 859 HG1 THR 75 HG1 THR 75 -15.073 6.424 -8.565 860 1HG2 THR 75 1HG2 THR 75 -15.301 9.920 -8.141 861 2HG2 THR 75 2HG2 THR 75 -14.341 9.963 -6.662 862 3HG2 THR 75 3HG2 THR 75 -15.969 9.283 -6.636 863 H VAL 76 H VAL 76 -11.728 7.728 -6.302 864 HA VAL 76 HA VAL 76 -11.124 10.494 -5.812 865 HB VAL 76 HB VAL 76 -9.845 9.709 -3.878 866 1HG1 VAL 76 1HG1 VAL 76 -12.252 10.041 -3.675 867 2HG1 VAL 76 2HG1 VAL 76 -11.715 8.715 -2.645 868 3HG1 VAL 76 3HG1 VAL 76 -12.537 8.372 -4.168 869 1HG2 VAL 76 1HG2 VAL 76 -9.713 7.359 -3.307 870 2HG2 VAL 76 2HG2 VAL 76 -8.964 7.632 -4.881 871 3HG2 VAL 76 3HG2 VAL 76 -10.575 6.925 -4.782 872 H GLY 77 H GLY 77 -9.702 7.987 -7.673 873 1HA GLY 77 1HA GLY 77 -8.202 8.758 -9.385 874 2HA GLY 77 2HA GLY 77 -7.532 9.898 -8.236 875 H MET 78 H MET 78 -8.044 6.590 -7.234 876 HA MET 78 HA MET 78 -5.237 6.185 -6.879 877 1HB MET 78 1HB MET 78 -7.563 4.258 -6.709 878 2HB MET 78 2HB MET 78 -5.908 3.860 -6.263 879 1HG MET 78 1HG MET 78 -5.946 5.569 -4.533 880 2HG MET 78 2HG MET 78 -7.588 6.012 -4.994 881 1HE MET 78 1HE MET 78 -6.157 2.410 -4.966 882 2HE MET 78 2HE MET 78 -6.530 1.853 -3.333 883 3HE MET 78 3HE MET 78 -5.321 3.114 -3.582 884 H ARG 79 H ARG 79 -3.861 5.714 -8.437 885 HA ARG 79 HA ARG 79 -4.853 5.238 -11.083 886 1HB ARG 79 1HB ARG 79 -2.014 5.463 -10.079 887 2HB ARG 79 2HB ARG 79 -2.499 5.447 -11.768 888 1HG ARG 79 1HG ARG 79 -3.233 7.537 -9.730 889 2HG ARG 79 2HG ARG 79 -2.045 7.705 -11.023 890 1HD ARG 79 1HD ARG 79 -3.806 7.417 -12.688 891 2HD ARG 79 2HD ARG 79 -4.998 7.212 -11.404 892 HE ARG 79 HE ARG 79 -3.573 9.668 -11.146 893 1HH1 ARG 79 1HH1 ARG 79 -6.165 8.125 -12.943 894 2HH1 ARG 79 2HH1 ARG 79 -7.007 9.618 -13.251 895 1HH2 ARG 79 1HH2 ARG 79 -4.685 11.619 -11.522 896 2HH2 ARG 79 2HH2 ARG 79 -6.159 11.608 -12.454 897 H LEU 80 H LEU 80 -4.432 3.551 -12.449 898 HA LEU 80 HA LEU 80 -4.218 0.955 -11.236 899 1HB LEU 80 1HB LEU 80 -4.377 1.835 -14.123 900 2HB LEU 80 2HB LEU 80 -4.306 0.158 -13.632 901 HG LEU 80 HG LEU 80 -6.571 0.647 -14.128 902 1HD1 LEU 80 1HD1 LEU 80 -7.702 0.286 -11.979 903 2HD1 LEU 80 2HD1 LEU 80 -6.192 0.656 -11.144 904 3HD1 LEU 80 3HD1 LEU 80 -6.295 -0.757 -12.195 905 1HD2 LEU 80 1HD2 LEU 80 -7.838 2.452 -13.114 906 2HD2 LEU 80 2HD2 LEU 80 -6.454 3.086 -14.004 907 3HD2 LEU 80 3HD2 LEU 80 -6.403 2.993 -12.243 908 H GLU 81 H GLU 81 -2.056 3.242 -12.467 909 HA GLU 81 HA GLU 81 -0.002 1.434 -13.343 910 1HB GLU 81 1HB GLU 81 0.172 4.376 -12.677 911 2HB GLU 81 2HB GLU 81 1.370 3.441 -13.561 912 1HG GLU 81 1HG GLU 81 -0.349 3.005 -15.296 913 2HG GLU 81 2HG GLU 81 -1.422 4.110 -14.441 914 H ALA 82 H ALA 82 -1.176 2.059 -10.387 915 HA ALA 82 HA ALA 82 1.452 1.903 -9.079 916 1HB ALA 82 1HB ALA 82 0.402 2.841 -7.102 917 2HB ALA 82 2HB ALA 82 -1.159 2.860 -7.922 918 3HB ALA 82 3HB ALA 82 0.152 3.890 -8.498 919 H VAL 83 H VAL 83 -0.934 -0.074 -10.055 920 HA VAL 83 HA VAL 83 -0.562 -1.857 -7.741 921 HB VAL 83 HB VAL 83 -2.926 -1.334 -7.985 922 1HG1 VAL 83 1HG1 VAL 83 -2.995 -0.692 -10.301 923 2HG1 VAL 83 2HG1 VAL 83 -4.184 -1.955 -9.975 924 3HG1 VAL 83 3HG1 VAL 83 -2.673 -2.355 -10.791 925 1HG2 VAL 83 1HG2 VAL 83 -2.304 -4.122 -8.925 926 2HG2 VAL 83 2HG2 VAL 83 -3.828 -3.592 -8.214 927 3HG2 VAL 83 3HG2 VAL 83 -2.352 -3.573 -7.250 928 H ARG 84 H ARG 84 0.468 -3.712 -8.074 929 HA ARG 84 HA ARG 84 0.676 -4.769 -10.800 930 1HB ARG 84 1HB ARG 84 2.968 -4.201 -8.924 931 2HB ARG 84 2HB ARG 84 3.104 -5.309 -10.280 932 1HG ARG 84 1HG ARG 84 2.586 -3.493 -11.823 933 2HG ARG 84 2HG ARG 84 2.441 -2.378 -10.461 934 1HD ARG 84 1HD ARG 84 4.751 -2.674 -9.896 935 2HD ARG 84 2HD ARG 84 4.928 -3.958 -11.091 936 HE ARG 84 HE ARG 84 4.106 -1.760 -12.519 937 1HH1 ARG 84 1HH1 ARG 84 6.776 -2.454 -10.364 938 2HH1 ARG 84 2HH1 ARG 84 7.896 -1.428 -11.208 939 1HH2 ARG 84 1HH2 ARG 84 5.556 -0.418 -13.626 940 2HH2 ARG 84 2HH2 ARG 84 7.191 -0.243 -13.054 941 H ALA 85 H ALA 85 0.288 -6.895 -10.883 942 HA ALA 85 HA ALA 85 0.420 -8.537 -8.487 943 1HB ALA 85 1HB ALA 85 -0.105 -9.304 -11.364 944 2HB ALA 85 2HB ALA 85 -1.332 -8.972 -10.141 945 3HB ALA 85 3HB ALA 85 -0.269 -10.369 -9.967 946 H ASP 86 H ASP 86 2.595 -7.173 -10.342 947 HA ASP 86 HA ASP 86 4.351 -9.128 -11.291 948 1HB ASP 86 1HB ASP 86 4.381 -6.773 -11.990 949 2HB ASP 86 2HB ASP 86 4.924 -6.299 -10.386 950 H ARG 87 H ARG 87 3.724 -8.124 -8.097 951 HA ARG 87 HA ARG 87 4.421 -9.013 -6.119 952 1HB ARG 87 1HB ARG 87 5.029 -11.085 -7.330 953 2HB ARG 87 2HB ARG 87 6.609 -10.403 -7.676 954 1HG ARG 87 1HG ARG 87 6.761 -11.950 -5.840 955 2HG ARG 87 2HG ARG 87 7.072 -10.312 -5.262 956 1HD ARG 87 1HD ARG 87 5.614 -11.619 -3.751 957 2HD ARG 87 2HD ARG 87 4.849 -10.152 -4.363 958 HE ARG 87 HE ARG 87 3.679 -11.631 -5.986 959 1HH1 ARG 87 1HH1 ARG 87 4.981 -13.023 -3.042 960 2HH1 ARG 87 2HH1 ARG 87 3.789 -14.288 -2.976 961 1HH2 ARG 87 1HH2 ARG 87 2.126 -13.273 -5.896 962 2HH2 ARG 87 2HH2 ARG 87 2.151 -14.426 -4.586 963 H MET 88 H MET 88 6.401 -7.218 -8.244 964 HA MET 88 HA MET 88 8.478 -6.523 -6.454 965 1HB MET 88 1HB MET 88 8.733 -6.052 -8.807 966 2HB MET 88 2HB MET 88 7.304 -5.028 -8.804 967 1HG MET 88 1HG MET 88 9.315 -3.688 -8.855 968 2HG MET 88 2HG MET 88 8.443 -3.435 -7.345 969 1HE MET 88 1HE MET 88 12.351 -5.846 -7.785 970 2HE MET 88 2HE MET 88 11.608 -4.903 -9.077 971 3HE MET 88 3HE MET 88 10.827 -6.375 -8.498 972 H ARG 89 H ARG 89 8.253 -5.548 -4.580 973 HA ARG 89 HA ARG 89 5.858 -4.096 -3.908 974 1HB ARG 89 1HB ARG 89 8.353 -4.737 -2.335 975 2HB ARG 89 2HB ARG 89 6.980 -3.860 -1.673 976 1HG ARG 89 1HG ARG 89 5.546 -5.800 -2.104 977 2HG ARG 89 2HG ARG 89 6.943 -6.679 -2.730 978 1HD ARG 89 1HD ARG 89 8.026 -6.594 -0.590 979 2HD ARG 89 2HD ARG 89 6.772 -5.534 0.052 980 HE ARG 89 HE ARG 89 5.236 -7.506 -0.382 981 1HH1 ARG 89 1HH1 ARG 89 8.625 -7.858 0.407 982 2HH1 ARG 89 2HH1 ARG 89 8.429 -9.437 1.109 983 1HH2 ARG 89 1HH2 ARG 89 4.968 -9.564 0.567 984 2HH2 ARG 89 2HH2 ARG 89 6.347 -10.403 1.206 985 H GLY 90 H GLY 90 6.682 -2.623 -5.824 986 1HA GLY 90 1HA GLY 90 6.830 -0.081 -5.214 987 2HA GLY 90 2HA GLY 90 8.484 -0.542 -4.833 988 H GLY 91 H GLY 91 9.714 0.283 -6.382 989 1HA GLY 91 1HA GLY 91 10.642 0.572 -8.468 990 2HA GLY 91 2HA GLY 91 9.571 -0.697 -9.050 991 H ARG 92 H ARG 92 9.716 2.755 -8.255 992 HA ARG 92 HA ARG 92 7.776 3.272 -10.360 993 1HB ARG 92 1HB ARG 92 6.573 2.800 -8.159 994 2HB ARG 92 2HB ARG 92 7.258 4.312 -7.584 995 1HG ARG 92 1HG ARG 92 5.996 5.588 -9.059 996 2HG ARG 92 2HG ARG 92 5.652 4.207 -10.106 997 1HD ARG 92 1HD ARG 92 4.599 4.662 -7.314 998 2HD ARG 92 2HD ARG 92 3.678 4.763 -8.818 999 HE ARG 92 HE ARG 92 4.628 2.260 -8.919 1000 1HH1 ARG 92 1HH1 ARG 92 2.923 4.022 -6.426 1001 2HH1 ARG 92 2HH1 ARG 92 2.271 2.596 -5.689 1002 1HH2 ARG 92 1HH2 ARG 92 3.769 0.380 -7.960 1003 2HH2 ARG 92 2HH2 ARG 92 2.750 0.511 -6.562 1004 H ASN 93 H ASN 93 8.759 4.751 -11.529 1005 HA ASN 93 HA ASN 93 10.447 6.750 -10.189 1006 1HB ASN 93 1HB ASN 93 11.573 5.354 -11.879 1007 2HB ASN 93 2HB ASN 93 10.414 5.887 -13.092 1008 1HD2 ASN 93 1HD2 ASN 93 10.587 7.951 -13.958 1009 2HD2 ASN 93 2HD2 ASN 93 11.985 8.947 -13.710 1010 H LYS 94 H LYS 94 7.954 6.412 -12.704 1011 HA LYS 94 HA LYS 94 7.832 9.225 -13.179 1012 1HB LYS 94 1HB LYS 94 5.796 8.686 -14.527 1013 2HB LYS 94 2HB LYS 94 7.247 7.821 -15.001 1014 1HG LYS 94 1HG LYS 94 6.426 5.838 -13.784 1015 2HG LYS 94 2HG LYS 94 4.944 6.720 -13.403 1016 1HD LYS 94 1HD LYS 94 4.265 6.776 -15.639 1017 2HD LYS 94 2HD LYS 94 5.887 6.419 -16.234 1018 1HE LYS 94 1HE LYS 94 4.542 4.464 -16.520 1019 2HE LYS 94 2HE LYS 94 5.691 4.154 -15.222 1020 1HZ LYS 94 1HZ LYS 94 2.813 4.831 -14.928 1021 2HZ LYS 94 2HZ LYS 94 3.901 4.677 -13.635 1022 3HZ LYS 94 3HZ LYS 94 3.547 3.336 -14.604 1023 H PHE 95 H PHE 95 6.410 7.198 -10.828 1024 HA PHE 95 HA PHE 95 4.715 9.463 -10.006 1025 1HB PHE 95 1HB PHE 95 4.305 6.505 -9.563 1026 2HB PHE 95 2HB PHE 95 3.430 7.733 -8.658 1027 HD1 PHE 95 HD1 PHE 95 3.769 6.013 -11.836 1028 HD2 PHE 95 HD2 PHE 95 1.813 9.186 -9.784 1029 HE1 PHE 95 HE1 PHE 95 2.091 6.135 -13.630 1030 HE2 PHE 95 HE2 PHE 95 0.132 9.314 -11.574 1031 HZ PHE 95 HZ PHE 95 0.268 7.786 -13.500 1032 H GLY 96 H GLY 96 7.575 8.103 -9.438 1033 1HA GLY 96 1HA GLY 96 7.708 7.554 -6.701 1034 2HA GLY 96 2HA GLY 96 9.056 8.079 -7.696 1035 HA PRO 97 HA PRO 97 9.157 12.067 -5.891 1036 1HB PRO 97 1HB PRO 97 8.670 13.938 -7.804 1037 2HB PRO 97 2HB PRO 97 10.172 13.014 -7.704 1038 1HG PRO 97 1HG PRO 97 7.784 12.563 -9.450 1039 2HG PRO 97 2HG PRO 97 9.507 12.474 -9.863 1040 1HD PRO 97 1HD PRO 97 8.031 10.271 -9.384 1041 2HD PRO 97 2HD PRO 97 9.749 10.372 -8.948 1042 H MET 98 H MET 98 6.149 11.565 -7.680 1043 HA MET 98 HA MET 98 4.932 13.946 -6.718 1044 1HB MET 98 1HB MET 98 2.859 13.147 -7.704 1045 2HB MET 98 2HB MET 98 4.203 12.955 -8.811 1046 1HG MET 98 1HG MET 98 2.990 11.031 -9.084 1047 2HG MET 98 2HG MET 98 4.298 10.560 -8.010 1048 1HE MET 98 1HE MET 98 1.039 12.599 -7.137 1049 2HE MET 98 2HE MET 98 -0.045 11.303 -6.632 1050 3HE MET 98 3HE MET 98 0.484 11.406 -8.312 1051 H TYR 99 H TYR 99 5.034 10.653 -5.483 1052 HA TYR 99 HA TYR 99 3.098 10.997 -3.462 1053 1HB TYR 99 1HB TYR 99 5.543 9.228 -3.615 1054 2HB TYR 99 2HB TYR 99 4.344 9.135 -2.349 1055 HD1 TYR 99 HD1 TYR 99 5.415 7.569 -5.161 1056 HD2 TYR 99 HD2 TYR 99 1.799 9.024 -3.457 1057 HE1 TYR 99 HE1 TYR 99 4.142 5.969 -6.517 1058 HE2 TYR 99 HE2 TYR 99 0.513 7.425 -4.817 1059 HH TYR 99 HH TYR 99 0.797 6.159 -6.934 1060 H LYS 100 H LYS 100 6.609 11.342 -3.532 1061 HA LYS 100 HA LYS 100 6.987 12.085 -0.847 1062 1HB LYS 100 1HB LYS 100 8.724 13.009 -3.138 1063 2HB LYS 100 2HB LYS 100 9.203 12.694 -1.479 1064 1HG LYS 100 1HG LYS 100 8.328 10.597 -3.461 1065 2HG LYS 100 2HG LYS 100 9.994 10.976 -3.037 1066 1HD LYS 100 1HD LYS 100 9.664 10.252 -0.791 1067 2HD LYS 100 2HD LYS 100 7.930 10.055 -1.052 1068 1HE LYS 100 1HE LYS 100 9.069 7.897 -1.091 1069 2HE LYS 100 2HE LYS 100 8.375 8.272 -2.666 1070 1HZ LYS 100 1HZ LYS 100 10.572 8.968 -3.419 1071 2HZ LYS 100 2HZ LYS 100 10.599 7.364 -2.887 1072 3HZ LYS 100 3HZ LYS 100 11.231 8.589 -1.908 1073 H ARG 101 H ARG 101 6.512 13.944 -3.790 1074 HA ARG 101 HA ARG 101 6.812 16.538 -2.824 1075 1HB ARG 101 1HB ARG 101 6.632 15.888 -5.206 1076 2HB ARG 101 2HB ARG 101 4.931 15.528 -4.962 1077 1HG ARG 101 1HG ARG 101 4.538 17.894 -4.401 1078 2HG ARG 101 2HG ARG 101 6.238 18.230 -4.754 1079 1HD ARG 101 1HD ARG 101 4.138 17.201 -6.656 1080 2HD ARG 101 2HD ARG 101 4.952 18.766 -6.705 1081 HE ARG 101 HE ARG 101 7.054 17.287 -6.992 1082 1HH1 ARG 101 1HH1 ARG 101 3.880 16.607 -8.337 1083 2HH1 ARG 101 2HH1 ARG 101 4.514 15.677 -9.667 1084 1HH2 ARG 101 1HH2 ARG 101 7.873 16.071 -8.734 1085 2HH2 ARG 101 2HH2 ARG 101 6.774 15.398 -9.908 1086 H ASP 102 H ASP 102 3.848 14.614 -3.205 1087 HA ASP 102 HA ASP 102 2.098 16.600 -2.258 1088 1HB ASP 102 1HB ASP 102 1.773 14.179 -3.454 1089 2HB ASP 102 2HB ASP 102 1.291 13.798 -1.804 1090 H ARG 103 H ARG 103 3.906 14.070 -0.637 1091 HA ARG 103 HA ARG 103 2.694 14.303 1.905 1092 1HB ARG 103 1HB ARG 103 4.153 12.412 1.236 1093 2HB ARG 103 2HB ARG 103 5.537 13.496 1.247 1094 1HG ARG 103 1HG ARG 103 5.495 12.199 3.277 1095 2HG ARG 103 2HG ARG 103 5.179 13.894 3.650 1096 1HD ARG 103 1HD ARG 103 2.750 13.378 3.666 1097 2HD ARG 103 2HD ARG 103 3.148 11.676 3.440 1098 HE ARG 103 HE ARG 103 4.503 12.766 5.699 1099 1HH1 ARG 103 1HH1 ARG 103 1.393 11.561 4.625 1100 2HH1 ARG 103 2HH1 ARG 103 0.846 11.140 6.223 1101 1HH2 ARG 103 1HH2 ARG 103 3.796 12.199 7.802 1102 2HH2 ARG 103 2HH2 ARG 103 2.222 11.500 8.018 1103 H ALA 104 H ALA 104 5.516 15.879 0.452 1104 HA ALA 104 HA ALA 104 6.221 17.413 2.724 1105 1HB ALA 104 1HB ALA 104 7.774 16.974 0.883 1106 2HB ALA 104 2HB ALA 104 7.606 18.703 1.188 1107 3HB ALA 104 3HB ALA 104 6.784 17.966 -0.188 1108 H LEU 105 H LEU 105 4.138 18.026 -0.050 1109 HA LEU 105 HA LEU 105 3.618 20.750 0.485 1110 1HB LEU 105 1HB LEU 105 1.919 18.723 -0.971 1111 2HB LEU 105 2HB LEU 105 1.691 20.461 -1.025 1112 HG LEU 105 HG LEU 105 4.116 18.983 -2.047 1113 1HD1 LEU 105 1HD1 LEU 105 1.862 20.323 -3.532 1114 2HD1 LEU 105 2HD1 LEU 105 2.151 18.585 -3.425 1115 3HD1 LEU 105 3HD1 LEU 105 3.308 19.622 -4.259 1116 1HD2 LEU 105 1HD2 LEU 105 3.378 21.900 -2.224 1117 2HD2 LEU 105 2HD2 LEU 105 4.788 21.136 -2.959 1118 3HD2 LEU 105 3HD2 LEU 105 4.642 21.214 -1.202 1119 H LYS 106 H LYS 106 2.151 17.781 1.611 1120 HA LYS 106 HA LYS 106 -0.190 18.936 2.723 1121 1HB LYS 106 1HB LYS 106 0.060 16.527 2.190 1122 2HB LYS 106 2HB LYS 106 1.210 16.375 3.510 1123 1HG LYS 106 1HG LYS 106 -0.481 16.866 5.128 1124 2HG LYS 106 2HG LYS 106 -1.644 17.259 3.860 1125 1HD LYS 106 1HD LYS 106 -1.527 14.938 3.058 1126 2HD LYS 106 2HD LYS 106 -0.402 14.555 4.362 1127 1HE LYS 106 1HE LYS 106 -3.184 15.626 4.798 1128 2HE LYS 106 2HE LYS 106 -2.784 13.909 4.796 1129 1HZ LYS 106 1HZ LYS 106 -1.383 14.203 6.681 1130 2HZ LYS 106 2HZ LYS 106 -2.867 14.946 7.037 1131 3HZ LYS 106 3HZ LYS 106 -1.529 15.895 6.615 1132 H GLN 107 H GLN 107 3.073 18.589 3.831 1133 HA GLN 107 HA GLN 107 2.342 19.399 6.552 1134 1HB GLN 107 1HB GLN 107 4.978 18.437 5.426 1135 2HB GLN 107 2HB GLN 107 4.685 18.840 7.111 1136 1HG GLN 107 1HG GLN 107 3.348 16.628 5.569 1137 2HG GLN 107 2HG GLN 107 4.653 16.437 6.738 1138 1HE2 GLN 107 1HE2 GLN 107 4.227 16.771 8.932 1139 2HE2 GLN 107 2HE2 GLN 107 2.610 16.734 9.556 1140 H GLN 108 H GLN 108 2.714 21.003 3.868 1141 HA GLN 108 HA GLN 108 4.763 22.884 4.755 1142 1HB GLN 108 1HB GLN 108 4.812 22.063 2.421 1143 2HB GLN 108 2HB GLN 108 3.232 22.785 2.152 1144 1HG GLN 108 1HG GLN 108 4.136 24.992 2.514 1145 2HG GLN 108 2HG GLN 108 5.712 24.310 2.913 1146 1HE2 GLN 108 1HE2 GLN 108 4.974 26.192 0.820 1147 2HE2 GLN 108 2HE2 GLN 108 5.461 25.460 -0.673 1148 H LYS 109 H LYS 109 4.251 24.646 5.804 1149 HA LYS 109 HA LYS 109 1.468 25.519 5.939 1150 1HB LYS 109 1HB LYS 109 3.930 26.362 7.482 1151 2HB LYS 109 2HB LYS 109 2.328 27.037 7.734 1152 1HG LYS 109 1HG LYS 109 3.053 24.140 8.102 1153 2HG LYS 109 2HG LYS 109 2.929 25.333 9.398 1154 1HD LYS 109 1HD LYS 109 0.564 25.720 8.724 1155 2HD LYS 109 2HD LYS 109 0.722 24.392 7.572 1156 1HE LYS 109 1HE LYS 109 1.240 22.862 9.400 1157 2HE LYS 109 2HE LYS 109 1.107 24.187 10.555 1158 1HZ LYS 109 1HZ LYS 109 -1.058 23.020 8.896 1159 2HZ LYS 109 2HZ LYS 109 -1.229 24.461 9.781 1160 3HZ LYS 109 3HZ LYS 109 -0.922 23.003 10.590 1161 H LYS 110 H LYS 110 4.650 26.645 4.957 1162 HA LYS 110 HA LYS 110 3.655 29.284 4.293 1163 1HB LYS 110 1HB LYS 110 6.382 28.057 3.852 1164 2HB LYS 110 2HB LYS 110 5.972 29.751 3.625 1165 1HG LYS 110 1HG LYS 110 5.451 29.939 6.009 1166 2HG LYS 110 2HG LYS 110 5.887 28.243 6.229 1167 1HD LYS 110 1HD LYS 110 8.161 28.733 5.464 1168 2HD LYS 110 2HD LYS 110 7.722 30.429 5.253 1169 1HE LYS 110 1HE LYS 110 7.727 28.889 7.847 1170 2HE LYS 110 2HE LYS 110 8.905 30.104 7.351 1171 1HZ LYS 110 1HZ LYS 110 7.373 31.145 8.806 1172 2HZ LYS 110 2HZ LYS 110 6.035 30.523 7.973 1173 3HZ LYS 110 3HZ LYS 110 7.010 31.705 7.245 1174 H ALA 111 H ALA 111 2.250 29.099 2.613 1175 HA ALA 111 HA ALA 111 3.117 27.762 0.172 1176 1HB ALA 111 1HB ALA 111 0.811 27.420 0.936 1177 2HB ALA 111 2HB ALA 111 0.861 28.205 -0.643 1178 3HB ALA 111 3HB ALA 111 0.512 29.153 0.803 Start of MODEL 3 1 1H5* G 1 1H5* G 1 29.165 4.822 -0.341 2 2H5* G 1 2H5* G 1 29.477 3.396 0.667 3 H4* G 1 H4* G 1 28.787 5.017 2.164 4 H3* G 1 H3* G 1 27.248 2.788 2.056 5 H1* G 1 H1* G 1 25.709 6.299 2.222 6 H8 G 1 H8 G 1 25.689 5.063 -1.460 7 H1 G 1 H1 G 1 21.549 9.748 -0.004 8 1H2 G 1 1H2 G 1 21.699 10.241 2.145 9 2H2 G 1 2H2 G 1 22.821 9.425 3.212 10 H5T G 1 H5T G 1 26.916 3.733 -0.420 11 1H2* G 1 1H2* G 1 25.486 3.665 0.685 12 2H2* G 1 2H2* G 1 24.865 4.043 2.287 13 1H5* G 2 1H5* G 2 25.602 7.007 5.109 14 2H5* G 2 2H5* G 2 25.810 5.736 6.334 15 H4* G 2 H4* G 2 24.027 7.209 6.981 16 H3* G 2 H3* G 2 23.731 4.565 7.160 17 H1* G 2 H1* G 2 20.968 6.608 5.352 18 H8 G 2 H8 G 2 23.116 4.487 2.966 19 H1 G 2 H1 G 2 18.647 8.149 0.167 20 1H2 G 2 1H2 G 2 17.689 9.451 1.668 21 2H2 G 2 2H2 G 2 18.147 9.421 3.357 22 1H2* G 2 1H2* G 2 22.756 4.166 4.997 23 2H2* G 2 2H2* G 2 21.314 4.331 5.987 24 1H5* C 3 1H5* C 3 20.658 7.351 8.562 25 2H5* C 3 2H5* C 3 19.700 7.073 10.032 26 H4* C 3 H4* C 3 18.409 8.391 8.540 27 H3* C 3 H3* C 3 17.375 6.071 9.572 28 H1* C 3 H1* C 3 16.890 7.200 5.916 29 1H4 C 3 1H4 C 3 18.827 3.508 1.150 30 2H4 C 3 2H4 C 3 19.919 2.621 2.188 31 H5 C 3 H5 C 3 20.167 3.094 4.549 32 H6 C 3 H6 C 3 19.411 4.501 6.390 33 1H2* C 3 1H2* C 3 17.487 4.726 7.611 34 2H2* C 3 2H2* C 3 15.937 5.505 7.328 35 1H5* T 4 1H5* T 4 15.148 8.799 6.857 36 2H5* T 4 2H5* T 4 13.938 9.569 7.904 37 H4* T 4 H4* T 4 13.166 10.000 5.770 38 H3* T 4 H3* T 4 11.514 8.500 7.307 39 1H2* T 4 1H2* T 4 12.026 6.350 6.396 40 2H2* T 4 2H2* T 4 10.713 6.830 5.329 41 H1* T 4 H1* T 4 12.206 7.598 3.612 42 H3 T 4 H3 T 4 13.779 3.906 1.682 43 1H5M T 4 1H5M T 4 16.093 4.014 6.440 44 2H5M T 4 2H5M T 4 14.762 2.842 6.585 45 3H5M T 4 3H5M T 4 16.070 2.561 5.412 46 H6 T 4 H6 T 4 14.143 5.654 6.106 47 1H5* C 5 1H5* C 5 9.704 10.777 3.719 48 2H5* C 5 2H5* C 5 7.965 11.134 3.736 49 H4* C 5 H4* C 5 8.831 10.535 1.510 50 H3* C 5 H3* C 5 6.413 9.786 2.472 51 H1* C 5 H1* C 5 8.750 7.268 0.722 52 1H4 C 5 1H4 C 5 11.114 2.289 3.825 53 2H4 C 5 2H4 C 5 10.793 3.015 5.384 54 H5 C 5 H5 C 5 9.740 5.183 5.634 55 H6 C 5 H6 C 5 8.827 7.105 4.442 56 1H2* C 5 1H2* C 5 6.990 7.578 3.199 57 2H2* C 5 2H2* C 5 6.495 7.244 1.545 58 1H5* A 6 1H5* A 6 7.320 7.354 -1.398 59 2H5* A 6 2H5* A 6 6.160 8.099 -2.518 60 H4* A 6 H4* A 6 6.013 6.001 -3.287 61 H3* A 6 H3* A 6 3.800 6.515 -1.793 62 H1* A 6 H1* A 6 5.717 3.209 -1.579 63 H8 A 6 H8 A 6 6.316 5.335 1.619 64 1H6 A 6 1H6 A 6 8.950 0.214 3.885 65 2H6 A 6 2H6 A 6 8.497 1.871 4.224 66 H2 A 6 H2 A 6 7.701 -0.618 -0.347 67 1H2* A 6 1H2* A 6 4.485 5.373 0.204 68 2H2* A 6 2H2* A 6 3.659 4.072 -0.645 69 1H5* G 7 1H5* G 7 3.610 3.191 -5.164 70 2H5* G 7 2H5* G 7 1.941 2.694 -5.517 71 H4* G 7 H4* G 7 3.747 0.965 -5.855 72 H3* G 7 H3* G 7 1.150 0.548 -5.186 73 H1* G 7 H1* G 7 4.051 -1.155 -3.237 74 H8 G 7 H8 G 7 2.907 2.074 -1.440 75 H1 G 7 H1 G 7 5.630 -2.392 2.288 76 1H2 G 7 1H2 G 7 6.086 -4.191 1.103 77 2H2 G 7 2H2 G 7 5.710 -4.302 -0.602 78 1H2* G 7 1H2* G 7 1.401 0.300 -2.829 79 2H2* G 7 2H2* G 7 1.674 -1.365 -3.323 80 1H5* G 8 1H5* G 8 3.974 -2.916 -3.681 81 2H5* G 8 2H5* G 8 3.950 -3.106 -5.446 82 H4* G 8 H4* G 8 4.633 -5.178 -4.981 83 H3* G 8 H3* G 8 2.079 -5.395 -5.630 84 H1* G 8 H1* G 8 3.055 -6.787 -2.008 85 H8 G 8 H8 G 8 0.973 -3.612 -2.277 86 H1 G 8 H1 G 8 3.493 -4.730 3.519 87 1H2 G 8 1H2 G 8 4.926 -6.408 3.402 88 2H2 G 8 2H2 G 8 5.256 -7.249 1.902 89 1H2* G 8 1H2* G 8 1.032 -5.141 -3.508 90 2H2* G 8 2H2* G 8 1.259 -6.884 -3.489 91 1H5* G 9 1H5* G 9 4.198 -8.080 -3.455 92 2H5* G 9 2H5* G 9 4.680 -9.659 -4.107 93 H4* G 9 H4* G 9 5.028 -9.998 -1.894 94 H3* G 9 H3* G 9 2.710 -11.296 -2.818 95 H1* G 9 H1* G 9 3.314 -9.635 0.645 96 H8 G 9 H8 G 9 0.643 -7.863 -1.539 97 H1 G 9 H1 G 9 0.689 -6.258 4.678 98 1H2 G 9 1H2 G 9 2.254 -7.382 5.740 99 2H2 G 9 2H2 G 9 3.296 -8.530 4.930 100 1H2* G 9 1H2* G 9 1.137 -10.288 -1.392 101 2H2* G 9 2H2* G 9 1.857 -11.327 -0.170 102 1H5* C 10 1H5* C 10 4.236 -11.628 1.256 103 2H5* C 10 2H5* C 10 4.713 -13.299 1.622 104 H4* C 10 H4* C 10 4.118 -12.408 3.676 105 H3* C 10 H3* C 10 2.613 -14.528 2.803 106 H1* C 10 H1* C 10 1.188 -11.471 4.616 107 1H4 C 10 1H4 C 10 -3.182 -7.724 2.014 108 2H4 C 10 2H4 C 10 -2.998 -8.466 0.439 109 H5 C 10 H5 C 10 -1.400 -10.246 0.005 110 H6 C 10 H6 C 10 0.319 -11.666 0.999 111 1H2* C 10 1H2* C 10 0.630 -13.319 2.241 112 2H2* C 10 2H2* C 10 0.319 -13.625 3.945 113 1H5* C 11 1H5* C 11 2.238 -12.977 6.933 114 2H5* C 11 2H5* C 11 2.653 -14.196 8.156 115 H4* C 11 H4* C 11 1.281 -12.825 9.344 116 H3* C 11 H3* C 11 0.058 -15.267 8.667 117 H1* C 11 H1* C 11 -1.681 -11.716 8.741 118 1H4 C 11 1H4 C 11 -4.692 -10.301 3.346 119 2H4 C 11 2H4 C 11 -3.928 -11.624 2.494 120 H5 C 11 H5 C 11 -2.337 -13.123 3.545 121 H6 C 11 H6 C 11 -1.173 -13.655 5.617 122 1H2* C 11 1H2* C 11 -1.841 -14.496 7.552 123 2H2* C 11 2H2* C 11 -2.361 -13.916 9.129 124 1H5* A 12 1H5* A 12 -1.425 -12.467 11.229 125 2H5* A 12 2H5* A 12 -1.409 -12.728 12.986 126 H4* A 12 H4* A 12 -3.046 -11.186 12.868 127 H3* A 12 H3* A 12 -4.110 -13.698 13.313 128 H1* A 12 H1* A 12 -5.641 -10.981 11.048 129 H8 A 12 H8 A 12 -4.051 -13.817 8.924 130 1H6 A 12 1H6 A 12 -7.617 -11.699 4.332 131 2H6 A 12 2H6 A 12 -6.403 -12.875 4.788 132 H2 A 12 H2 A 12 -8.451 -9.234 7.991 133 1H2* A 12 1H2* A 12 -5.168 -14.001 11.208 134 2H2* A 12 2H2* A 12 -6.421 -13.055 11.999 135 1H5* C 13 1H5* C 13 -6.581 -10.306 12.974 136 2H5* C 13 2H5* C 13 -7.060 -9.697 14.572 137 H4* C 13 H4* C 13 -8.680 -8.732 13.352 138 H3* C 13 H3* C 13 -9.727 -10.829 14.735 139 H1* C 13 H1* C 13 -10.618 -10.093 11.084 140 1H4 C 13 1H4 C 13 -9.462 -14.197 6.421 141 2H4 C 13 2H4 C 13 -8.298 -15.087 7.380 142 H5 C 13 H5 C 13 -7.736 -14.473 9.665 143 H6 C 13 H6 C 13 -8.184 -12.893 11.470 144 1H2* C 13 1H2* C 13 -9.820 -12.402 12.929 145 2H2* C 13 2H2* C 13 -11.398 -11.643 12.770 146 1H5* A 14 1H5* A 14 -12.112 -8.304 12.191 147 2H5* A 14 2H5* A 14 -12.903 -7.098 13.226 148 H4* A 14 H4* A 14 -14.149 -6.801 11.381 149 H3* A 14 H3* A 14 -15.631 -8.084 13.205 150 H1* A 14 H1* A 14 -15.467 -9.545 9.566 151 H8 A 14 H8 A 14 -13.246 -11.361 12.178 152 1H6 A 14 1H6 A 14 -12.397 -15.599 7.746 153 2H6 A 14 2H6 A 14 -12.050 -15.165 9.405 154 H2 A 14 H2 A 14 -14.957 -12.316 6.064 155 1H2* A 14 1H2* A 14 -15.294 -10.337 12.495 156 2H2* A 14 2H2* A 14 -16.715 -9.934 11.541 157 1H5* G 15 1H5* G 15 -17.299 -6.576 9.450 158 2H5* G 15 2H5* G 15 -18.874 -5.755 9.429 159 H4* G 15 H4* G 15 -18.507 -6.666 7.277 160 H3* G 15 H3* G 15 -20.818 -7.212 8.544 161 H1* G 15 H1* G 15 -18.858 -9.999 6.776 162 H8 G 15 H8 G 15 -18.134 -10.076 10.591 163 H1 G 15 H1 G 15 -16.491 -15.331 7.285 164 1H2 G 15 1H2 G 15 -16.998 -15.071 5.151 165 2H2 G 15 2H2 G 15 -17.752 -13.613 4.543 166 H3T G 15 H3T G 15 -21.276 -7.042 6.526 167 1H2* G 15 1H2* G 15 -20.204 -9.353 9.444 168 2H2* G 15 2H2* G 15 -20.969 -9.830 7.935 169 1H5* C 16 1H5* C 16 -15.754 -23.273 3.917 170 2H5* C 16 2H5* C 16 -14.039 -22.944 3.610 171 H4* C 16 H4* C 16 -16.013 -21.491 2.587 172 H3* C 16 H3* C 16 -13.316 -21.195 2.541 173 H1* C 16 H1* C 16 -15.646 -18.402 3.813 174 1H4 C 16 1H4 C 16 -15.390 -16.403 9.812 175 2H4 C 16 2H4 C 16 -14.504 -17.821 10.324 176 H5 C 16 H5 C 16 -13.874 -19.597 8.804 177 H6 C 16 H6 C 16 -13.969 -20.372 6.494 178 H5T C 16 H5T C 16 -14.416 -21.474 5.595 179 1H2* C 16 1H2* C 16 -13.074 -19.892 4.533 180 2H2* C 16 2H2* C 16 -13.293 -18.613 3.347 181 1H5* T 17 1H5* T 17 -15.476 -18.564 -1.050 182 2H5* T 17 2H5* T 17 -14.245 -17.945 -2.168 183 H4* T 17 H4* T 17 -15.873 -16.275 -1.220 184 H3* T 17 H3* T 17 -13.215 -15.882 -1.895 185 1H2* T 17 1H2* T 17 -12.328 -15.658 0.292 186 2H2* T 17 2H2* T 17 -12.923 -14.016 0.093 187 H1* T 17 H1* T 17 -14.988 -14.473 1.228 188 H3 T 17 H3 T 17 -14.008 -14.612 5.575 189 1H5M T 17 1H5M T 17 -11.186 -18.542 3.201 190 2H5M T 17 2H5M T 17 -11.473 -18.510 4.957 191 3H5M T 17 3H5M T 17 -10.257 -17.430 4.234 192 H6 T 17 H6 T 17 -12.467 -17.131 1.832 193 1H5* G 18 1H5* G 18 -16.221 -12.918 0.619 194 2H5* G 18 2H5* G 18 -16.454 -12.252 -1.010 195 H4* G 18 H4* G 18 -17.231 -10.577 0.377 196 H3* G 18 H3* G 18 -15.207 -9.834 -1.179 197 H1* G 18 H1* G 18 -14.680 -9.290 2.763 198 H8 G 18 H8 G 18 -13.243 -12.436 1.013 199 H1 G 18 H1 G 18 -11.325 -11.442 7.055 200 1H2 G 18 1H2 G 18 -12.307 -9.649 7.878 201 2H2 G 18 2H2 G 18 -13.444 -8.697 6.950 202 1H2* G 18 1H2* G 18 -13.334 -10.177 0.230 203 2H2* G 18 2H2* G 18 -13.752 -8.556 0.769 204 1H5* T 19 1H5* T 19 -15.550 -7.835 2.330 205 2H5* T 19 2H5* T 19 -16.182 -6.178 2.285 206 H4* T 19 H4* T 19 -14.926 -6.037 4.148 207 H3* T 19 H3* T 19 -13.601 -4.835 1.976 208 1H2* T 19 1H2* T 19 -11.672 -6.193 1.980 209 2H2* T 19 2H2* T 19 -11.235 -5.203 3.365 210 H1* T 19 H1* T 19 -12.119 -6.777 4.951 211 H3 T 19 H3 T 19 -8.985 -9.936 5.163 212 1H5M T 19 1H5M T 19 -11.017 -11.261 0.766 213 2H5M T 19 2H5M T 19 -10.489 -9.725 0.039 214 3H5M T 19 3H5M T 19 -9.283 -10.879 0.659 215 H6 T 19 H6 T 19 -11.840 -8.443 1.646 216 1H5* G 20 1H5* G 20 -12.500 -4.771 6.154 217 2H5* G 20 2H5* G 20 -12.857 -3.155 6.799 218 H4* G 20 H4* G 20 -11.469 -3.964 8.411 219 H3* G 20 H3* G 20 -10.322 -1.966 6.936 220 H1* G 20 H1* G 20 -8.423 -5.148 8.026 221 H8 G 20 H8 G 20 -9.451 -5.348 4.283 222 H1 G 20 H1 G 20 -4.699 -9.245 6.145 223 1H2 G 20 1H2 G 20 -4.258 -8.927 8.284 224 2H2 G 20 2H2 G 20 -5.125 -7.753 9.250 225 1H2* G 20 1H2* G 20 -8.818 -3.279 5.643 226 2H2* G 20 2H2* G 20 -7.819 -3.037 7.069 227 1H5* G 21 1H5* G 21 -7.357 -4.821 9.382 228 2H5* G 21 2H5* G 21 -7.836 -3.735 10.703 229 H4* G 21 H4* G 21 -5.868 -4.357 11.564 230 H3* G 21 H3* G 21 -5.547 -1.887 10.614 231 H1* G 21 H1* G 21 -2.977 -4.632 9.441 232 H8 G 21 H8 G 21 -5.468 -3.382 6.801 233 H1 G 21 H1 G 21 -1.702 -8.247 4.970 234 1H2 G 21 1H2 G 21 -0.531 -8.985 6.685 235 2H2 G 21 2H2 G 21 -0.676 -8.285 8.282 236 1H2* G 21 1H2* G 21 -4.732 -2.376 8.431 237 2H2* G 21 2H2* G 21 -3.205 -2.287 9.296 238 1H5* C 22 1H5* C 22 -2.469 -5.338 10.826 239 2H5* C 22 2H5* C 22 -2.178 -4.686 12.452 240 H4* C 22 H4* C 22 -0.426 -6.135 12.220 241 H3* C 22 H3* C 22 0.398 -3.621 12.430 242 H1* C 22 H1* C 22 1.672 -5.618 9.218 243 1H4 C 22 1H4 C 22 -1.180 -4.000 3.805 244 2H4 C 22 2H4 C 22 -2.065 -2.713 4.590 245 H5 C 22 H5 C 22 -1.980 -2.330 6.979 246 H6 C 22 H6 C 22 -0.975 -3.053 9.078 247 1H2* C 22 1H2* C 22 0.550 -2.981 10.147 248 2H2* C 22 2H2* C 22 2.168 -3.638 10.346 249 1H5* C 23 1H5* C 23 2.631 -6.594 9.841 250 2H5* C 23 2H5* C 23 3.394 -7.114 11.358 251 H4* C 23 H4* C 23 4.832 -8.118 9.965 252 H3* C 23 H3* C 23 6.106 -6.016 10.953 253 H1* C 23 H1* C 23 5.845 -6.157 6.969 254 1H4 C 23 1H4 C 23 1.504 -2.308 4.452 255 2H4 C 23 2H4 C 23 1.168 -1.571 6.003 256 H5 C 23 H5 C 23 2.214 -2.315 8.065 257 H6 C 23 H6 C 23 3.777 -3.912 9.045 258 1H2* C 23 1H2* C 23 5.564 -4.340 9.352 259 2H2* C 23 2H2* C 23 7.020 -4.975 8.598 260 1H5* C 24 1H5* C 24 7.620 -8.515 7.986 261 2H5* C 24 2H5* C 24 9.197 -9.324 7.882 262 H4* C 24 H4* C 24 8.510 -9.119 5.682 263 H3* C 24 H3* C 24 10.775 -7.635 6.435 264 H1* C 24 H1* C 24 8.031 -6.697 3.872 265 1H4 C 24 1H4 C 24 5.294 -0.999 4.365 266 2H4 C 24 2H4 C 24 5.623 -0.919 6.081 267 H5 C 24 H5 C 24 6.835 -2.641 7.271 268 H6 C 24 H6 C 24 7.939 -4.806 7.067 269 1H2* C 24 1H2* C 24 9.989 -5.492 5.883 270 2H2* C 24 2H2* C 24 10.298 -6.019 4.236 271 1H5* T 25 1H5* T 25 10.375 -9.093 2.290 272 2H5* T 25 2H5* T 25 11.748 -9.636 1.302 273 H4* T 25 H4* T 25 10.399 -8.262 -0.058 274 H3* T 25 H3* T 25 13.078 -7.520 0.416 275 1H2* T 25 1H2* T 25 12.664 -5.393 1.348 276 2H2* T 25 2H2* T 25 12.357 -4.952 -0.327 277 H1* T 25 H1* T 25 9.989 -5.297 -0.135 278 H3 T 25 H3 T 25 8.626 -1.587 1.922 279 1H5M T 25 1H5M T 25 10.255 -3.419 6.015 280 2H5M T 25 2H5M T 25 11.660 -4.348 5.436 281 3H5M T 25 3H5M T 25 11.711 -2.570 5.441 282 H6 T 25 H6 T 25 11.383 -5.225 3.306 283 1H5* G 26 1H5* G 26 10.959 -5.662 -2.541 284 2H5* G 26 2H5* G 26 11.251 -5.957 -4.267 285 H4* G 26 H4* G 26 10.621 -3.830 -4.471 286 H3* G 26 H3* G 26 13.431 -3.887 -4.373 287 H1* G 26 H1* G 26 11.013 -1.258 -2.950 288 H8 G 26 H8 G 26 12.629 -3.298 -0.079 289 H1 G 26 H1 G 26 10.484 2.550 1.485 290 1H2 G 26 1H2 G 26 9.709 3.576 -0.312 291 2H2 G 26 2H2 G 26 9.721 2.821 -1.890 292 1H2* G 26 1H2* G 26 13.719 -2.586 -2.427 293 2H2* G 26 2H2* G 26 13.347 -1.257 -3.517 294 1H5* A 27 1H5* A 27 11.344 -0.890 -7.112 295 2H5* A 27 2H5* A 27 12.153 -0.285 -8.572 296 H4* A 27 H4* A 27 11.204 1.537 -7.330 297 H3* A 27 H3* A 27 13.904 1.500 -8.109 298 H1* A 27 H1* A 27 12.368 2.968 -4.864 299 H8 A 27 H8 A 27 14.482 -0.220 -4.204 300 1H6 A 27 1H6 A 27 14.865 1.828 1.619 301 2H6 A 27 2H6 A 27 15.298 0.544 0.511 302 H2 A 27 H2 A 27 12.541 4.843 -0.768 303 1H2* A 27 1H2* A 27 14.891 1.664 -5.983 304 2H2* A 27 2H2* A 27 14.380 3.343 -6.086 305 1H5* G 28 1H5* G 28 12.486 4.377 -5.020 306 2H5* G 28 2H5* G 28 11.603 4.943 -6.453 307 H4* G 28 H4* G 28 11.253 6.758 -5.231 308 H3* G 28 H3* G 28 13.213 7.400 -6.931 309 H1* G 28 H1* G 28 13.834 8.055 -3.054 310 H8 G 28 H8 G 28 15.629 5.093 -4.755 311 H1 G 28 H1 G 28 16.873 5.889 1.491 312 1H2 G 28 1H2 G 28 15.645 7.526 2.308 313 2H2 G 28 2H2 G 28 14.514 8.427 1.322 314 1H2* G 28 1H2* G 28 15.134 7.045 -5.583 315 2H2* G 28 2H2* G 28 14.779 8.695 -5.089 316 1H5* C 29 1H5* C 29 12.094 9.948 -3.350 317 2H5* C 29 2H5* C 29 11.703 11.585 -3.921 318 H4* C 29 H4* C 29 12.368 11.784 -1.671 319 H3* C 29 H3* C 29 13.640 13.283 -3.528 320 H1* C 29 H1* C 29 15.653 11.366 -0.806 321 1H4 C 29 1H4 C 29 19.489 6.626 -2.491 322 2H4 C 29 2H4 C 29 19.009 6.741 -4.170 323 H5 C 29 H5 C 29 17.327 8.303 -4.951 324 H6 C 29 H6 C 29 15.783 10.070 -4.283 325 1H2* C 29 1H2* C 29 15.617 11.977 -3.792 326 2H2* C 29 2H2* C 29 16.126 13.012 -2.464 327 1H5* C 30 1H5* C 30 15.164 12.802 1.154 328 2H5* C 30 2H5* C 30 14.701 14.499 1.399 329 H4* C 30 H4* C 30 16.241 13.989 3.097 330 H3* C 30 H3* C 30 16.786 16.107 1.575 331 H1* C 30 H1* C 30 19.622 13.386 1.954 332 1H4 C 30 1H4 C 30 20.719 9.639 -3.023 333 2H4 C 30 2H4 C 30 19.534 10.480 -4.001 334 H5 C 30 H5 C 30 18.175 12.298 -3.142 335 H6 C 30 H6 C 30 17.673 13.656 -1.179 336 H3T C 30 H3T C 30 18.343 14.917 3.622 337 1H2* C 30 1H2* C 30 18.186 15.113 -0.074 338 2H2* C 30 2H2* C 30 19.411 15.566 1.104 339 1H ASP 10 1H ASP 10 -3.337 12.745 10.076 340 HA ASP 10 HA ASP 10 -5.569 11.031 10.729 341 1HB ASP 10 1HB ASP 10 -4.734 12.834 12.255 342 2HB ASP 10 2HB ASP 10 -5.303 14.027 11.094 343 H GLU 11 H GLU 11 -4.904 11.589 7.922 344 HA GLU 11 HA GLU 11 -7.071 13.178 6.870 345 1HB GLU 11 1HB GLU 11 -5.111 11.348 5.468 346 2HB GLU 11 2HB GLU 11 -6.178 12.496 4.685 347 1HG GLU 11 1HG GLU 11 -4.129 13.358 6.676 348 2HG GLU 11 2HG GLU 11 -3.760 13.139 4.969 349 H LEU 12 H LEU 12 -8.771 12.303 5.569 350 HA LEU 12 HA LEU 12 -9.429 9.536 6.323 351 1HB LEU 12 1HB LEU 12 -11.243 11.817 5.540 352 2HB LEU 12 2HB LEU 12 -11.781 10.182 5.878 353 HG LEU 12 HG LEU 12 -10.433 12.017 7.861 354 1HD1 LEU 12 1HD1 LEU 12 -12.683 12.759 7.288 355 2HD1 LEU 12 2HD1 LEU 12 -12.627 12.113 8.928 356 3HD1 LEU 12 3HD1 LEU 12 -13.310 11.145 7.622 357 1HD2 LEU 12 1HD2 LEU 12 -11.669 9.285 8.213 358 2HD2 LEU 12 2HD2 LEU 12 -11.043 10.310 9.506 359 3HD2 LEU 12 3HD2 LEU 12 -9.947 9.665 8.284 360 H CYS 13 H CYS 13 -9.868 8.049 4.817 361 HA CYS 13 HA CYS 13 -8.988 8.425 2.167 362 1HB CYS 13 1HB CYS 13 -8.962 6.246 3.282 363 2HB CYS 13 2HB CYS 13 -10.719 6.249 3.362 364 HG CYS 13 HG CYS 13 -8.853 6.065 0.498 365 HA PRO 14 HA PRO 14 -12.687 10.479 0.688 366 1HB PRO 14 1HB PRO 14 -11.890 10.653 -1.918 367 2HB PRO 14 2HB PRO 14 -11.345 11.760 -0.654 368 1HG PRO 14 1HG PRO 14 -9.959 9.380 -1.817 369 2HG PRO 14 2HG PRO 14 -9.293 10.965 -1.386 370 1HD PRO 14 1HD PRO 14 -8.992 8.788 0.188 371 2HD PRO 14 2HD PRO 14 -9.132 10.430 0.851 372 H VAL 15 H VAL 15 -11.467 7.420 -0.196 373 HA VAL 15 HA VAL 15 -13.524 6.730 -2.068 374 HB VAL 15 HB VAL 15 -11.607 4.957 -0.541 375 1HG1 VAL 15 1HG1 VAL 15 -12.164 3.240 -2.200 376 2HG1 VAL 15 2HG1 VAL 15 -13.392 4.309 -2.881 377 3HG1 VAL 15 3HG1 VAL 15 -13.566 3.700 -1.234 378 1HG2 VAL 15 1HG2 VAL 15 -11.509 6.007 -3.362 379 2HG2 VAL 15 2HG2 VAL 15 -10.379 4.850 -2.657 380 3HG2 VAL 15 3HG2 VAL 15 -10.465 6.495 -2.027 381 H CYS 16 H CYS 16 -12.825 5.746 1.293 382 HA CYS 16 HA CYS 16 -15.631 4.886 1.529 383 1HB CYS 16 1HB CYS 16 -14.777 3.433 3.398 384 2HB CYS 16 2HB CYS 16 -14.164 3.015 1.800 385 HG CYS 16 HG CYS 16 -12.328 3.028 4.220 386 H GLY 17 H GLY 17 -12.984 6.237 3.505 387 1HA GLY 17 1HA GLY 17 -13.703 8.358 4.710 388 2HA GLY 17 2HA GLY 17 -15.034 7.369 5.298 389 H ASP 18 H ASP 18 -12.569 5.292 5.077 390 HA ASP 18 HA ASP 18 -12.046 5.231 7.881 391 1HB ASP 18 1HB ASP 18 -12.131 3.180 6.545 392 2HB ASP 18 2HB ASP 18 -10.768 3.729 5.580 393 H LYS 19 H LYS 19 -9.933 5.436 8.871 394 HA LYS 19 HA LYS 19 -8.644 7.840 8.012 395 1HB LYS 19 1HB LYS 19 -7.983 5.913 10.242 396 2HB LYS 19 2HB LYS 19 -7.147 7.437 9.974 397 1HG LYS 19 1HG LYS 19 -9.270 8.636 10.287 398 2HG LYS 19 2HG LYS 19 -10.070 7.098 10.615 399 1HD LYS 19 1HD LYS 19 -8.654 6.747 12.553 400 2HD LYS 19 2HD LYS 19 -7.773 8.235 12.204 401 1HE LYS 19 1HE LYS 19 -9.389 8.623 13.964 402 2HE LYS 19 2HE LYS 19 -9.848 9.515 12.516 403 1HZ LYS 19 1HZ LYS 19 -11.441 7.749 11.999 404 2HZ LYS 19 2HZ LYS 19 -11.764 8.465 13.501 405 3HZ LYS 19 3HZ LYS 19 -11.021 6.942 13.433 406 H VAL 20 H VAL 20 -6.753 8.129 6.993 407 HA VAL 20 HA VAL 20 -5.880 5.912 5.400 408 HB VAL 20 HB VAL 20 -4.538 7.462 4.189 409 1HG1 VAL 20 1HG1 VAL 20 -6.181 9.171 3.586 410 2HG1 VAL 20 2HG1 VAL 20 -7.102 8.792 5.041 411 3HG1 VAL 20 3HG1 VAL 20 -6.924 7.582 3.770 412 1HG2 VAL 20 1HG2 VAL 20 -4.179 9.772 4.899 413 2HG2 VAL 20 2HG2 VAL 20 -3.502 8.631 6.062 414 3HG2 VAL 20 3HG2 VAL 20 -5.029 9.444 6.408 415 H SER 21 H SER 21 -3.592 5.409 5.051 416 HA SER 21 HA SER 21 -2.071 5.515 7.572 417 1HB SER 21 1HB SER 21 -2.760 3.230 6.851 418 2HB SER 21 2HB SER 21 -1.862 3.462 5.352 419 HG SER 21 HG SER 21 -0.025 3.917 6.872 420 H GLY 22 H GLY 22 -2.288 7.277 5.063 421 1HA GLY 22 1HA GLY 22 -0.274 8.802 4.909 422 2HA GLY 22 2HA GLY 22 0.586 7.348 4.422 423 H TYR 23 H TYR 23 0.902 9.143 2.663 424 HA TYR 23 HA TYR 23 -1.189 9.377 0.718 425 1HB TYR 23 1HB TYR 23 0.955 10.875 1.241 426 2HB TYR 23 2HB TYR 23 1.682 9.832 0.027 427 HD1 TYR 23 HD1 TYR 23 1.179 10.115 -2.294 428 HD2 TYR 23 HD2 TYR 23 -0.978 12.300 0.649 429 HE1 TYR 23 HE1 TYR 23 0.228 11.544 -4.056 430 HE2 TYR 23 HE2 TYR 23 -1.934 13.731 -1.102 431 HH TYR 23 HH TYR 23 -1.776 12.967 -4.383 432 H HIS 24 H HIS 24 -1.795 7.722 -0.578 433 HA HIS 24 HA HIS 24 0.285 5.961 -1.668 434 1HB HIS 24 1HB HIS 24 -2.269 4.898 -0.448 435 2HB HIS 24 2HB HIS 24 -1.023 3.949 -1.237 436 HD1 HIS 24 HD1 HIS 24 1.485 4.588 0.154 437 HD2 HIS 24 HD2 HIS 24 -2.144 4.449 2.168 438 HE1 HIS 24 HE1 HIS 24 2.061 4.080 2.551 439 HE2 HIS 24 HE2 HIS 24 -0.171 3.708 3.662 440 H TYR 25 H TYR 25 0.024 5.632 -3.789 441 HA TYR 25 HA TYR 25 -0.925 5.022 -5.752 442 1HB TYR 25 1HB TYR 25 -3.454 4.826 -4.117 443 2HB TYR 25 2HB TYR 25 -3.346 4.373 -5.813 444 HD1 TYR 25 HD1 TYR 25 -2.058 3.582 -2.435 445 HD2 TYR 25 HD2 TYR 25 -2.509 2.250 -6.447 446 HE1 TYR 25 HE1 TYR 25 -1.316 1.344 -1.765 447 HE2 TYR 25 HE2 TYR 25 -1.762 0.000 -5.787 448 HH TYR 25 HH TYR 25 -0.666 -1.161 -4.118 449 H GLY 26 H GLY 26 -1.330 7.903 -4.377 450 1HA GLY 26 1HA GLY 26 -1.499 9.549 -6.382 451 2HA GLY 26 2HA GLY 26 -3.142 8.928 -6.451 452 H LEU 27 H LEU 27 -3.485 8.716 -3.592 453 HA LEU 27 HA LEU 27 -3.077 11.375 -2.558 454 1HB LEU 27 1HB LEU 27 -5.532 11.643 -1.985 455 2HB LEU 27 2HB LEU 27 -5.064 11.946 -3.636 456 HG LEU 27 HG LEU 27 -7.254 10.805 -3.379 457 1HD1 LEU 27 1HD1 LEU 27 -6.940 9.154 -5.122 458 2HD1 LEU 27 2HD1 LEU 27 -5.196 9.191 -4.858 459 3HD1 LEU 27 3HD1 LEU 27 -6.028 10.624 -5.464 460 1HD2 LEU 27 1HD2 LEU 27 -6.777 9.398 -1.469 461 2HD2 LEU 27 2HD2 LEU 27 -5.618 8.470 -2.421 462 3HD2 LEU 27 3HD2 LEU 27 -7.332 8.431 -2.836 463 H LEU 28 H LEU 28 -4.799 11.301 -0.389 464 HA LEU 28 HA LEU 28 -3.399 9.487 1.311 465 1HB LEU 28 1HB LEU 28 -5.765 11.290 1.825 466 2HB LEU 28 2HB LEU 28 -5.012 10.312 3.065 467 HG LEU 28 HG LEU 28 -4.179 12.497 3.346 468 1HD1 LEU 28 1HD1 LEU 28 -2.492 10.781 3.577 469 2HD1 LEU 28 2HD1 LEU 28 -1.785 12.264 2.935 470 3HD1 LEU 28 3HD1 LEU 28 -2.105 10.902 1.860 471 1HD2 LEU 28 1HD2 LEU 28 -3.123 13.800 1.571 472 2HD2 LEU 28 2HD2 LEU 28 -4.807 13.433 1.193 473 3HD2 LEU 28 3HD2 LEU 28 -3.510 12.531 0.409 474 H THR 29 H THR 29 -3.830 7.386 1.458 475 HA THR 29 HA THR 29 -6.640 6.534 1.404 476 HB THR 29 HB THR 29 -5.703 4.386 0.280 477 HG1 THR 29 HG1 THR 29 -3.935 6.020 -1.081 478 1HG2 THR 29 1HG2 THR 29 -6.136 5.320 -1.944 479 2HG2 THR 29 2HG2 THR 29 -6.019 6.950 -1.281 480 3HG2 THR 29 3HG2 THR 29 -7.325 5.880 -0.768 481 H CYS 30 H CYS 30 -7.081 4.571 2.485 482 HA CYS 30 HA CYS 30 -5.282 4.082 4.728 483 1HB CYS 30 1HB CYS 30 -7.331 2.812 5.581 484 2HB CYS 30 2HB CYS 30 -7.488 4.560 5.431 485 HG CYS 30 HG CYS 30 -9.471 2.332 4.285 486 H GLU 31 H GLU 31 -4.799 1.894 5.383 487 HA GLU 31 HA GLU 31 -3.967 0.275 3.235 488 1HB GLU 31 1HB GLU 31 -4.161 -0.308 6.188 489 2HB GLU 31 2HB GLU 31 -3.434 -1.407 5.025 490 1HG GLU 31 1HG GLU 31 -2.509 1.375 5.700 491 2HG GLU 31 2HG GLU 31 -1.716 -0.141 6.129 492 H SER 32 H SER 32 -6.920 0.385 5.028 493 HA SER 32 HA SER 32 -7.888 -2.195 4.493 494 1HB SER 32 1HB SER 32 -10.161 -1.083 4.753 495 2HB SER 32 2HB SER 32 -9.046 -0.871 6.103 496 HG SER 32 HG SER 32 -9.362 1.184 5.826 497 H CYS 33 H CYS 33 -8.131 0.829 2.641 498 HA CYS 33 HA CYS 33 -9.511 -0.456 0.468 499 1HB CYS 33 1HB CYS 33 -8.288 2.289 0.752 500 2HB CYS 33 2HB CYS 33 -9.085 1.735 -0.720 501 HG CYS 33 HG CYS 33 -10.492 3.356 1.536 502 H LYS 34 H LYS 34 -6.205 0.534 1.180 503 HA LYS 34 HA LYS 34 -5.052 -0.027 -1.304 504 1HB LYS 34 1HB LYS 34 -3.819 1.125 0.427 505 2HB LYS 34 2HB LYS 34 -3.921 -0.268 1.489 506 1HG LYS 34 1HG LYS 34 -2.456 -1.530 0.044 507 2HG LYS 34 2HG LYS 34 -2.428 -0.207 -1.127 508 1HD LYS 34 1HD LYS 34 -1.253 1.209 0.360 509 2HD LYS 34 2HD LYS 34 -1.550 0.138 1.729 510 1HE LYS 34 1HE LYS 34 0.723 -0.132 1.068 511 2HE LYS 34 2HE LYS 34 -0.152 -1.583 0.587 512 1HZ LYS 34 1HZ LYS 34 0.654 0.661 -1.176 513 2HZ LYS 34 2HZ LYS 34 -0.299 -0.643 -1.675 514 3HZ LYS 34 3HZ LYS 34 1.300 -0.902 -1.173 515 H GLY 35 H GLY 35 -5.672 -2.155 1.474 516 1HA GLY 35 1HA GLY 35 -4.591 -4.504 0.315 517 2HA GLY 35 2HA GLY 35 -5.742 -4.445 1.641 518 H PHE 36 H PHE 36 -7.954 -3.357 0.564 519 HA PHE 36 HA PHE 36 -9.186 -5.412 -0.853 520 1HB PHE 36 1HB PHE 36 -10.553 -3.849 0.316 521 2HB PHE 36 2HB PHE 36 -9.875 -2.486 -0.566 522 HD1 PHE 36 HD1 PHE 36 -10.899 -1.697 -2.502 523 HD2 PHE 36 HD2 PHE 36 -11.959 -5.533 -0.988 524 HE1 PHE 36 HE1 PHE 36 -12.742 -1.825 -4.127 525 HE2 PHE 36 HE2 PHE 36 -13.802 -5.665 -2.611 526 HZ PHE 36 HZ PHE 36 -14.195 -3.811 -4.184 527 H PHE 37 H PHE 37 -7.795 -2.386 -2.036 528 HA PHE 37 HA PHE 37 -8.447 -2.584 -4.726 529 1HB PHE 37 1HB PHE 37 -7.341 -0.653 -3.456 530 2HB PHE 37 2HB PHE 37 -5.821 -1.502 -3.702 531 HD1 PHE 37 HD1 PHE 37 -4.586 -1.095 -5.618 532 HD2 PHE 37 HD2 PHE 37 -8.736 -0.162 -5.564 533 HE1 PHE 37 HE1 PHE 37 -4.369 -0.014 -7.819 534 HE2 PHE 37 HE2 PHE 37 -8.527 0.914 -7.759 535 HZ PHE 37 HZ PHE 37 -6.346 0.993 -8.893 536 H LYS 38 H LYS 38 -5.516 -3.683 -3.055 537 HA LYS 38 HA LYS 38 -4.253 -4.869 -5.246 538 1HB LYS 38 1HB LYS 38 -4.085 -5.419 -2.290 539 2HB LYS 38 2HB LYS 38 -3.087 -6.271 -3.458 540 1HG LYS 38 1HG LYS 38 -2.095 -4.182 -4.178 541 2HG LYS 38 2HG LYS 38 -3.147 -3.285 -3.081 542 1HD LYS 38 1HD LYS 38 -1.127 -5.357 -2.225 543 2HD LYS 38 2HD LYS 38 -0.854 -3.614 -2.200 544 1HE LYS 38 1HE LYS 38 -2.729 -3.349 -0.644 545 2HE LYS 38 2HE LYS 38 -3.002 -5.089 -0.674 546 1HZ LYS 38 1HZ LYS 38 -0.527 -3.763 0.295 547 2HZ LYS 38 2HZ LYS 38 -0.832 -5.427 0.306 548 3HZ LYS 38 3HZ LYS 38 -1.750 -4.392 1.281 549 H ARG 39 H ARG 39 -6.470 -6.301 -2.856 550 HA ARG 39 HA ARG 39 -6.363 -8.938 -3.804 551 1HB ARG 39 1HB ARG 39 -8.556 -7.399 -2.413 552 2HB ARG 39 2HB ARG 39 -8.699 -9.107 -2.799 553 1HG ARG 39 1HG ARG 39 -6.476 -7.959 -1.130 554 2HG ARG 39 2HG ARG 39 -7.978 -8.605 -0.463 555 1HD ARG 39 1HD ARG 39 -6.038 -10.138 -2.191 556 2HD ARG 39 2HD ARG 39 -6.141 -10.251 -0.435 557 HE ARG 39 HE ARG 39 -8.650 -10.773 -1.677 558 1HH1 ARG 39 1HH1 ARG 39 -5.538 -12.220 -1.016 559 2HH1 ARG 39 2HH1 ARG 39 -6.163 -13.843 -0.937 560 1HH2 ARG 39 1HH2 ARG 39 -9.474 -12.916 -1.601 561 2HH2 ARG 39 2HH2 ARG 39 -8.391 -14.231 -1.292 562 H THR 40 H THR 40 -8.349 -6.202 -4.813 563 HA THR 40 HA THR 40 -10.003 -7.682 -6.566 564 HB THR 40 HB THR 40 -9.363 -4.732 -6.716 565 HG1 THR 40 HG1 THR 40 -10.116 -5.139 -4.653 566 1HG2 THR 40 1HG2 THR 40 -10.555 -5.606 -8.669 567 2HG2 THR 40 2HG2 THR 40 -11.604 -4.566 -7.705 568 3HG2 THR 40 3HG2 THR 40 -11.775 -6.318 -7.613 569 H VAL 41 H VAL 41 -7.191 -5.586 -7.180 570 HA VAL 41 HA VAL 41 -7.162 -6.060 -9.967 571 HB VAL 41 HB VAL 41 -4.858 -5.053 -9.899 572 1HG1 VAL 41 1HG1 VAL 41 -7.091 -3.539 -8.545 573 2HG1 VAL 41 2HG1 VAL 41 -6.814 -3.666 -10.282 574 3HG1 VAL 41 3HG1 VAL 41 -5.656 -2.810 -9.264 575 1HG2 VAL 41 1HG2 VAL 41 -5.473 -4.815 -6.967 576 2HG2 VAL 41 2HG2 VAL 41 -4.161 -3.989 -7.804 577 3HG2 VAL 41 3HG2 VAL 41 -4.171 -5.748 -7.700 578 H GLN 42 H GLN 42 -5.206 -7.456 -7.329 579 HA GLN 42 HA GLN 42 -3.448 -8.817 -9.105 580 1HB GLN 42 1HB GLN 42 -3.945 -9.214 -6.154 581 2HB GLN 42 2HB GLN 42 -2.644 -9.975 -7.053 582 1HG GLN 42 1HG GLN 42 -3.020 -7.012 -6.679 583 2HG GLN 42 2HG GLN 42 -1.888 -8.024 -5.790 584 1HE2 GLN 42 1HE2 GLN 42 -0.113 -6.885 -6.466 585 2HE2 GLN 42 2HE2 GLN 42 0.487 -6.940 -8.088 586 H ASN 43 H ASN 43 -6.376 -9.771 -7.395 587 HA ASN 43 HA ASN 43 -6.042 -12.541 -8.186 588 1HB ASN 43 1HB ASN 43 -8.355 -11.161 -6.804 589 2HB ASN 43 2HB ASN 43 -8.241 -12.893 -7.091 590 1HD2 ASN 43 1HD2 ASN 43 -5.336 -12.879 -6.547 591 2HD2 ASN 43 2HD2 ASN 43 -5.201 -12.773 -4.826 592 H ASN 44 H ASN 44 -6.870 -9.869 -9.817 593 HA ASN 44 HA ASN 44 -7.917 -9.439 -11.791 594 1HB ASN 44 1HB ASN 44 -7.953 -12.458 -11.914 595 2HB ASN 44 2HB ASN 44 -8.593 -11.450 -13.201 596 1HD2 ASN 44 1HD2 ASN 44 -5.783 -10.575 -11.334 597 2HD2 ASN 44 2HD2 ASN 44 -4.630 -10.784 -12.608 598 H LYS 45 H LYS 45 -9.366 -9.615 -9.298 599 HA LYS 45 HA LYS 45 -11.910 -10.840 -9.826 600 1HB LYS 45 1HB LYS 45 -10.852 -9.118 -7.601 601 2HB LYS 45 2HB LYS 45 -12.512 -9.674 -7.648 602 1HG LYS 45 1HG LYS 45 -11.832 -11.951 -7.507 603 2HG LYS 45 2HG LYS 45 -10.135 -11.512 -7.723 604 1HD LYS 45 1HD LYS 45 -10.545 -11.979 -5.392 605 2HD LYS 45 2HD LYS 45 -10.230 -10.255 -5.593 606 1HE LYS 45 1HE LYS 45 -12.061 -10.506 -4.082 607 2HE LYS 45 2HE LYS 45 -12.687 -9.877 -5.606 608 1HZ LYS 45 1HZ LYS 45 -13.534 -12.009 -6.177 609 2HZ LYS 45 2HZ LYS 45 -14.030 -11.693 -4.589 610 3HZ LYS 45 3HZ LYS 45 -12.742 -12.754 -4.874 611 H HIS 46 H HIS 46 -13.778 -9.882 -10.345 612 HA HIS 46 HA HIS 46 -13.862 -6.978 -10.637 613 1HB HIS 46 1HB HIS 46 -14.780 -7.095 -12.907 614 2HB HIS 46 2HB HIS 46 -13.167 -7.790 -12.850 615 HD1 HIS 46 HD1 HIS 46 -16.503 -8.451 -14.052 616 HD2 HIS 46 HD2 HIS 46 -13.278 -10.763 -12.801 617 HE1 HIS 46 HE1 HIS 46 -16.939 -10.761 -14.940 618 HE2 HIS 46 HE2 HIS 46 -14.938 -12.125 -14.257 619 H TYR 47 H TYR 47 -15.581 -6.314 -9.584 620 HA TYR 47 HA TYR 47 -17.745 -8.185 -9.047 621 1HB TYR 47 1HB TYR 47 -17.132 -5.444 -7.929 622 2HB TYR 47 2HB TYR 47 -18.529 -6.409 -7.465 623 HD1 TYR 47 HD1 TYR 47 -18.190 -8.551 -6.242 624 HD2 TYR 47 HD2 TYR 47 -14.976 -5.871 -7.015 625 HE1 TYR 47 HE1 TYR 47 -16.862 -9.645 -4.485 626 HE2 TYR 47 HE2 TYR 47 -13.638 -6.960 -5.263 627 HH TYR 47 HH TYR 47 -14.143 -8.305 -3.140 628 H THR 48 H THR 48 -19.990 -7.033 -8.919 629 HA THR 48 HA THR 48 -20.365 -5.333 -11.294 630 HB THR 48 HB THR 48 -22.277 -7.566 -10.622 631 HG1 THR 48 HG1 THR 48 -20.230 -8.510 -11.062 632 1HG2 THR 48 1HG2 THR 48 -23.086 -5.786 -12.098 633 2HG2 THR 48 2HG2 THR 48 -22.920 -7.307 -12.977 634 3HG2 THR 48 3HG2 THR 48 -21.707 -6.040 -13.168 635 H CYS 49 H CYS 49 -22.211 -3.946 -11.163 636 HA CYS 49 HA CYS 49 -23.537 -3.920 -8.538 637 1HB CYS 49 1HB CYS 49 -21.921 -2.043 -8.739 638 2HB CYS 49 2HB CYS 49 -22.787 -1.481 -10.166 639 HG CYS 49 HG CYS 49 -23.333 -0.750 -7.043 640 H THR 50 H THR 50 -25.614 -4.305 -8.720 641 HA THR 50 HA THR 50 -26.969 -4.006 -11.268 642 HB THR 50 HB THR 50 -28.904 -5.013 -9.978 643 HG1 THR 50 HG1 THR 50 -28.266 -4.419 -7.871 644 1HG2 THR 50 1HG2 THR 50 -26.305 -6.556 -9.989 645 2HG2 THR 50 2HG2 THR 50 -27.413 -6.390 -11.350 646 3HG2 THR 50 3HG2 THR 50 -27.920 -7.259 -9.902 647 H GLU 51 H GLU 51 -26.201 -1.918 -8.950 648 HA GLU 51 HA GLU 51 -28.831 -0.645 -8.729 649 1HB GLU 51 1HB GLU 51 -26.310 -0.008 -7.189 650 2HB GLU 51 2HB GLU 51 -27.939 0.547 -6.832 651 1HG GLU 51 1HG GLU 51 -26.857 -2.247 -6.584 652 2HG GLU 51 2HG GLU 51 -27.393 -1.178 -5.290 653 H SER 52 H SER 52 -27.434 1.899 -7.998 654 HA SER 52 HA SER 52 -27.559 3.054 -10.606 655 1HB SER 52 1HB SER 52 -26.608 4.426 -8.095 656 2HB SER 52 2HB SER 52 -27.419 5.140 -9.490 657 HG SER 52 HG SER 52 -29.316 4.091 -8.901 658 H GLN 53 H GLN 53 -25.104 1.454 -9.081 659 HA GLN 53 HA GLN 53 -22.902 1.163 -9.477 660 1HB GLN 53 1HB GLN 53 -23.376 3.093 -11.742 661 2HB GLN 53 2HB GLN 53 -21.824 2.336 -11.416 662 1HG GLN 53 1HG GLN 53 -22.821 0.134 -11.731 663 2HG GLN 53 2HG GLN 53 -24.384 0.882 -12.036 664 1HE2 GLN 53 1HE2 GLN 53 -21.354 2.201 -13.233 665 2HE2 GLN 53 2HE2 GLN 53 -21.651 1.852 -14.899 666 H SER 54 H SER 54 -23.774 4.610 -9.670 667 HA SER 54 HA SER 54 -21.407 5.329 -8.162 668 1HB SER 54 1HB SER 54 -23.778 7.029 -8.984 669 2HB SER 54 2HB SER 54 -22.241 7.620 -8.352 670 HG SER 54 HG SER 54 -21.442 6.228 -10.297 671 H CYS 55 H CYS 55 -22.295 3.659 -6.548 672 HA CYS 55 HA CYS 55 -24.432 4.603 -4.846 673 1HB CYS 55 1HB CYS 55 -22.617 2.199 -4.556 674 2HB CYS 55 2HB CYS 55 -24.070 2.516 -3.612 675 HG CYS 55 HG CYS 55 -24.728 0.514 -5.383 676 H LYS 56 H LYS 56 -24.043 4.581 -2.439 677 HA LYS 56 HA LYS 56 -21.905 6.451 -1.909 678 1HB LYS 56 1HB LYS 56 -23.889 5.324 0.065 679 2HB LYS 56 2HB LYS 56 -22.990 6.832 0.183 680 1HG LYS 56 1HG LYS 56 -24.272 7.792 -1.612 681 2HG LYS 56 2HG LYS 56 -25.098 6.256 -1.888 682 1HD LYS 56 1HD LYS 56 -25.878 6.432 0.531 683 2HD LYS 56 2HD LYS 56 -25.330 8.108 0.468 684 1HE LYS 56 1HE LYS 56 -27.718 7.933 -0.010 685 2HE LYS 56 2HE LYS 56 -26.825 8.537 -1.406 686 1HZ LYS 56 1HZ LYS 56 -28.556 6.770 -1.850 687 2HZ LYS 56 2HZ LYS 56 -27.505 5.672 -1.093 688 3HZ LYS 56 3HZ LYS 56 -27.015 6.484 -2.496 689 H ILE 57 H ILE 57 -19.935 5.754 -1.390 690 HA ILE 57 HA ILE 57 -19.617 3.108 -0.197 691 HB ILE 57 HB ILE 57 -17.458 5.010 -1.118 692 1HG1 ILE 57 1HG1 ILE 57 -18.934 4.417 -2.984 693 2HG1 ILE 57 2HG1 ILE 57 -17.360 3.647 -3.167 694 1HG2 ILE 57 1HG2 ILE 57 -16.683 3.331 0.462 695 2HG2 ILE 57 2HG2 ILE 57 -16.053 2.998 -1.151 696 3HG2 ILE 57 3HG2 ILE 57 -17.402 2.054 -0.519 697 1HD1 ILE 57 1HD1 ILE 57 -19.172 2.139 -3.763 698 2HD1 ILE 57 2HD1 ILE 57 -19.870 2.324 -2.154 699 3HD1 ILE 57 3HD1 ILE 57 -18.298 1.547 -2.350 700 H ASP 58 H ASP 58 -20.131 3.295 1.919 701 HA ASP 58 HA ASP 58 -18.571 5.213 3.529 702 1HB ASP 58 1HB ASP 58 -20.415 5.496 4.992 703 2HB ASP 58 2HB ASP 58 -21.106 5.578 3.375 704 H LYS 59 H LYS 59 -19.242 4.177 6.035 705 HA LYS 59 HA LYS 59 -17.429 2.058 6.356 706 1HB LYS 59 1HB LYS 59 -19.673 2.942 8.174 707 2HB LYS 59 2HB LYS 59 -18.369 1.860 8.639 708 1HG LYS 59 1HG LYS 59 -16.749 3.612 8.354 709 2HG LYS 59 2HG LYS 59 -17.984 4.699 7.720 710 1HD LYS 59 1HD LYS 59 -18.166 3.493 10.469 711 2HD LYS 59 2HD LYS 59 -17.311 5.002 10.161 712 1HE LYS 59 1HE LYS 59 -19.529 5.528 10.900 713 2HE LYS 59 2HE LYS 59 -19.405 5.925 9.189 714 1HZ LYS 59 1HZ LYS 59 -20.662 3.469 10.304 715 2HZ LYS 59 2HZ LYS 59 -20.558 3.876 8.664 716 3HZ LYS 59 3HZ LYS 59 -21.492 4.825 9.705 717 H THR 60 H THR 60 -20.939 2.057 5.925 718 HA THR 60 HA THR 60 -21.052 -0.777 6.558 719 HB THR 60 HB THR 60 -23.518 -0.525 6.182 720 HG1 THR 60 HG1 THR 60 -22.696 2.150 5.664 721 1HG2 THR 60 1HG2 THR 60 -22.547 -0.376 8.411 722 2HG2 THR 60 2HG2 THR 60 -23.895 0.751 8.248 723 3HG2 THR 60 3HG2 THR 60 -22.235 1.343 8.177 724 H GLN 61 H GLN 61 -21.781 1.283 3.714 725 HA GLN 61 HA GLN 61 -22.419 -1.110 2.203 726 1HB GLN 61 1HB GLN 61 -22.555 1.814 1.494 727 2HB GLN 61 2HB GLN 61 -22.958 0.522 0.369 728 1HG GLN 61 1HG GLN 61 -24.600 -0.278 2.148 729 2HG GLN 61 2HG GLN 61 -24.352 1.292 2.906 730 1HE2 GLN 61 1HE2 GLN 61 -26.716 0.048 1.677 731 2HE2 GLN 61 2HE2 GLN 61 -27.250 1.156 0.459 732 H ARG 62 H ARG 62 -19.562 -0.058 3.014 733 HA ARG 62 HA ARG 62 -18.189 0.269 0.572 734 1HB ARG 62 1HB ARG 62 -16.142 -0.390 1.876 735 2HB ARG 62 2HB ARG 62 -17.047 0.967 2.522 736 1HG ARG 62 1HG ARG 62 -18.058 -0.521 4.194 737 2HG ARG 62 2HG ARG 62 -17.108 -1.863 3.553 738 1HD ARG 62 1HD ARG 62 -15.078 -0.887 4.238 739 2HD ARG 62 2HD ARG 62 -15.833 0.682 4.508 740 HE ARG 62 HE ARG 62 -17.121 -0.884 6.278 741 1HH1 ARG 62 1HH1 ARG 62 -13.714 -0.505 5.583 742 2HH1 ARG 62 2HH1 ARG 62 -13.212 -0.680 7.239 743 1HH2 ARG 62 1HH2 ARG 62 -16.484 -1.127 8.462 744 2HH2 ARG 62 2HH2 ARG 62 -14.795 -1.043 8.880 745 H LYS 63 H LYS 63 -19.165 -2.618 2.336 746 HA LYS 63 HA LYS 63 -17.853 -4.259 0.303 747 1HB LYS 63 1HB LYS 63 -18.476 -6.197 1.653 748 2HB LYS 63 2HB LYS 63 -17.578 -5.022 2.599 749 1HG LYS 63 1HG LYS 63 -19.419 -4.439 3.866 750 2HG LYS 63 2HG LYS 63 -20.564 -5.011 2.649 751 1HD LYS 63 1HD LYS 63 -20.466 -6.491 4.620 752 2HD LYS 63 2HD LYS 63 -19.986 -7.312 3.135 753 1HE LYS 63 1HE LYS 63 -17.610 -6.907 3.752 754 2HE LYS 63 2HE LYS 63 -18.165 -6.239 5.287 755 1HZ LYS 63 1HZ LYS 63 -18.554 -9.021 4.316 756 2HZ LYS 63 2HZ LYS 63 -19.242 -8.397 5.737 757 3HZ LYS 63 3HZ LYS 63 -17.555 -8.519 5.593 758 H ARG 64 H ARG 64 -20.873 -2.879 0.994 759 HA ARG 64 HA ARG 64 -22.609 -4.827 -0.093 760 1HB ARG 64 1HB ARG 64 -22.864 -1.845 0.265 761 2HB ARG 64 2HB ARG 64 -24.151 -2.815 -0.439 762 1HG ARG 64 1HG ARG 64 -23.007 -3.546 2.224 763 2HG ARG 64 2HG ARG 64 -24.196 -2.250 2.088 764 1HD ARG 64 1HD ARG 64 -25.317 -4.320 2.607 765 2HD ARG 64 2HD ARG 64 -25.737 -3.815 0.972 766 HE ARG 64 HE ARG 64 -23.534 -5.682 1.108 767 1HH1 ARG 64 1HH1 ARG 64 -27.019 -5.338 0.899 768 2HH1 ARG 64 2HH1 ARG 64 -27.259 -6.927 0.225 769 1HH2 ARG 64 1HH2 ARG 64 -23.843 -7.755 0.237 770 2HH2 ARG 64 2HH2 ARG 64 -25.447 -8.301 -0.158 771 H CYS 65 H CYS 65 -21.002 -2.011 -1.517 772 HA CYS 65 HA CYS 65 -21.336 -3.315 -4.128 773 1HB CYS 65 1HB CYS 65 -21.620 -0.403 -3.436 774 2HB CYS 65 2HB CYS 65 -21.201 -0.916 -5.067 775 HG CYS 65 HG CYS 65 -23.616 -2.727 -4.857 776 HA PRO 66 HA PRO 66 -16.858 -2.985 -3.230 777 1HB PRO 66 1HB PRO 66 -16.733 -5.397 -4.889 778 2HB PRO 66 2HB PRO 66 -16.187 -5.151 -3.228 779 1HG PRO 66 1HG PRO 66 -18.332 -6.673 -3.835 780 2HG PRO 66 2HG PRO 66 -18.222 -5.739 -2.332 781 1HD PRO 66 1HD PRO 66 -19.719 -5.117 -4.847 782 2HD PRO 66 2HD PRO 66 -20.210 -4.885 -3.155 783 H PHE 67 H PHE 67 -18.588 -3.605 -6.247 784 HA PHE 67 HA PHE 67 -16.438 -2.916 -7.980 785 1HB PHE 67 1HB PHE 67 -18.351 -4.195 -8.801 786 2HB PHE 67 2HB PHE 67 -19.431 -2.852 -8.445 787 HD1 PHE 67 HD1 PHE 67 -16.340 -3.573 -10.410 788 HD2 PHE 67 HD2 PHE 67 -20.032 -1.469 -10.172 789 HE1 PHE 67 HE1 PHE 67 -15.983 -2.697 -12.680 790 HE2 PHE 67 HE2 PHE 67 -19.680 -0.589 -12.441 791 HZ PHE 67 HZ PHE 67 -17.654 -1.203 -13.699 792 H CYS 68 H CYS 68 -19.118 -1.135 -6.558 793 HA CYS 68 HA CYS 68 -18.596 1.349 -7.780 794 1HB CYS 68 1HB CYS 68 -19.853 0.829 -5.079 795 2HB CYS 68 2HB CYS 68 -20.031 2.284 -6.056 796 HG CYS 68 HG CYS 68 -21.656 1.281 -7.914 797 H ARG 69 H ARG 69 -17.431 -0.181 -4.838 798 HA ARG 69 HA ARG 69 -16.001 2.075 -3.874 799 1HB ARG 69 1HB ARG 69 -16.681 0.232 -2.409 800 2HB ARG 69 2HB ARG 69 -15.617 -0.864 -3.281 801 1HG ARG 69 1HG ARG 69 -13.682 0.416 -2.558 802 2HG ARG 69 2HG ARG 69 -14.739 1.548 -1.711 803 1HD ARG 69 1HD ARG 69 -15.486 -0.188 -0.223 804 2HD ARG 69 2HD ARG 69 -14.582 -1.402 -1.129 805 HE ARG 69 HE ARG 69 -13.090 0.804 0.072 806 1HH1 ARG 69 1HH1 ARG 69 -14.053 -2.551 0.141 807 2HH1 ARG 69 2HH1 ARG 69 -12.739 -3.048 1.158 808 1HH2 ARG 69 1HH2 ARG 69 -11.353 0.172 1.424 809 2HH2 ARG 69 2HH2 ARG 69 -11.195 -1.495 1.888 810 H PHE 70 H PHE 70 -15.165 -0.661 -5.927 811 HA PHE 70 HA PHE 70 -12.411 -0.167 -6.157 812 1HB PHE 70 1HB PHE 70 -13.428 -2.246 -6.934 813 2HB PHE 70 2HB PHE 70 -14.347 -1.369 -8.151 814 HD1 PHE 70 HD1 PHE 70 -13.511 -1.184 -10.289 815 HD2 PHE 70 HD2 PHE 70 -10.843 -2.045 -7.087 816 HE1 PHE 70 HE1 PHE 70 -11.687 -1.514 -11.904 817 HE2 PHE 70 HE2 PHE 70 -9.014 -2.377 -8.698 818 HZ PHE 70 HZ PHE 70 -9.435 -2.110 -11.110 819 H GLN 71 H GLN 71 -15.125 0.882 -8.209 820 HA GLN 71 HA GLN 71 -13.543 2.569 -9.847 821 1HB GLN 71 1HB GLN 71 -16.516 2.575 -9.309 822 2HB GLN 71 2HB GLN 71 -15.730 3.563 -10.534 823 1HG GLN 71 1HG GLN 71 -15.775 0.554 -10.430 824 2HG GLN 71 2HG GLN 71 -16.706 1.579 -11.520 825 1HE2 GLN 71 1HE2 GLN 71 -14.486 3.446 -11.927 826 2HE2 GLN 71 2HE2 GLN 71 -13.370 2.630 -12.968 827 H LYS 72 H LYS 72 -15.177 3.032 -6.793 828 HA LYS 72 HA LYS 72 -15.050 5.791 -6.550 829 1HB LYS 72 1HB LYS 72 -16.144 4.107 -4.997 830 2HB LYS 72 2HB LYS 72 -14.544 3.797 -4.338 831 1HG LYS 72 1HG LYS 72 -15.678 5.317 -2.905 832 2HG LYS 72 2HG LYS 72 -14.391 6.193 -3.740 833 1HD LYS 72 1HD LYS 72 -16.112 6.931 -5.404 834 2HD LYS 72 2HD LYS 72 -17.339 6.239 -4.341 835 1HE LYS 72 1HE LYS 72 -15.332 8.294 -3.493 836 2HE LYS 72 2HE LYS 72 -16.961 8.691 -4.041 837 1HZ LYS 72 1HZ LYS 72 -16.281 7.005 -1.683 838 2HZ LYS 72 2HZ LYS 72 -17.848 7.364 -2.218 839 3HZ LYS 72 3HZ LYS 72 -16.850 8.602 -1.629 840 H CYS 73 H CYS 73 -12.655 3.298 -5.754 841 HA CYS 73 HA CYS 73 -10.601 4.968 -4.837 842 1HB CYS 73 1HB CYS 73 -10.344 2.361 -6.364 843 2HB CYS 73 2HB CYS 73 -9.097 3.103 -5.369 844 HG CYS 73 HG CYS 73 -12.071 1.839 -4.233 845 H LEU 74 H LEU 74 -11.211 3.640 -8.090 846 HA LEU 74 HA LEU 74 -9.191 4.929 -9.481 847 1HB LEU 74 1HB LEU 74 -11.870 3.841 -10.195 848 2HB LEU 74 2HB LEU 74 -10.993 4.771 -11.385 849 HG LEU 74 HG LEU 74 -10.763 2.215 -11.411 850 1HD1 LEU 74 1HD1 LEU 74 -9.423 3.776 -12.742 851 2HD1 LEU 74 2HD1 LEU 74 -8.486 2.384 -12.205 852 3HD1 LEU 74 3HD1 LEU 74 -8.301 3.938 -11.392 853 1HD2 LEU 74 1HD2 LEU 74 -8.973 1.332 -10.030 854 2HD2 LEU 74 2HD2 LEU 74 -10.326 1.907 -9.054 855 3HD2 LEU 74 3HD2 LEU 74 -8.863 2.881 -9.193 856 H THR 75 H THR 75 -12.372 6.089 -8.552 857 HA THR 75 HA THR 75 -12.438 8.393 -10.170 858 HB THR 75 HB THR 75 -13.855 7.796 -7.569 859 HG1 THR 75 HG1 THR 75 -14.340 6.429 -9.402 860 1HG2 THR 75 1HG2 THR 75 -15.402 9.594 -8.177 861 2HG2 THR 75 2HG2 THR 75 -14.415 9.971 -9.589 862 3HG2 THR 75 3HG2 THR 75 -13.761 10.211 -7.967 863 H VAL 76 H VAL 76 -11.426 7.935 -6.779 864 HA VAL 76 HA VAL 76 -11.060 10.702 -6.309 865 HB VAL 76 HB VAL 76 -9.928 10.088 -4.245 866 1HG1 VAL 76 1HG1 VAL 76 -12.343 8.380 -4.828 867 2HG1 VAL 76 2HG1 VAL 76 -12.351 10.057 -4.282 868 3HG1 VAL 76 3HG1 VAL 76 -11.742 8.788 -3.220 869 1HG2 VAL 76 1HG2 VAL 76 -8.606 8.207 -5.057 870 2HG2 VAL 76 2HG2 VAL 76 -10.073 7.248 -5.248 871 3HG2 VAL 76 3HG2 VAL 76 -9.552 7.752 -3.640 872 H GLY 77 H GLY 77 -9.048 8.313 -7.797 873 1HA GLY 77 1HA GLY 77 -7.432 9.644 -9.280 874 2HA GLY 77 2HA GLY 77 -6.795 10.210 -7.747 875 H MET 78 H MET 78 -7.709 7.081 -7.219 876 HA MET 78 HA MET 78 -5.011 6.182 -7.125 877 1HB MET 78 1HB MET 78 -7.608 4.673 -6.797 878 2HB MET 78 2HB MET 78 -6.016 3.993 -6.485 879 1HG MET 78 1HG MET 78 -5.638 5.633 -4.733 880 2HG MET 78 2HG MET 78 -7.208 6.364 -5.063 881 1HE MET 78 1HE MET 78 -5.359 3.114 -3.831 882 2HE MET 78 2HE MET 78 -6.388 2.547 -5.146 883 3HE MET 78 3HE MET 78 -6.730 2.056 -3.486 884 H ARG 79 H ARG 79 -3.869 4.981 -8.502 885 HA ARG 79 HA ARG 79 -5.001 4.647 -11.180 886 1HB ARG 79 1HB ARG 79 -2.115 4.446 -10.304 887 2HB ARG 79 2HB ARG 79 -2.713 4.572 -11.952 888 1HG ARG 79 1HG ARG 79 -3.007 6.716 -9.859 889 2HG ARG 79 2HG ARG 79 -1.738 6.667 -11.084 890 1HD ARG 79 1HD ARG 79 -3.455 6.731 -12.839 891 2HD ARG 79 2HD ARG 79 -4.702 6.825 -11.599 892 HE ARG 79 HE ARG 79 -3.507 8.962 -10.923 893 1HH1 ARG 79 1HH1 ARG 79 -3.659 7.760 -14.207 894 2HH1 ARG 79 2HH1 ARG 79 -3.412 9.328 -14.931 895 1HH2 ARG 79 1HH2 ARG 79 -3.217 11.037 -11.860 896 2HH2 ARG 79 2HH2 ARG 79 -3.157 11.189 -13.595 897 H LEU 80 H LEU 80 -5.071 2.698 -12.238 898 HA LEU 80 HA LEU 80 -4.759 0.259 -10.741 899 1HB LEU 80 1HB LEU 80 -5.198 0.723 -13.693 900 2HB LEU 80 2HB LEU 80 -5.236 -0.845 -12.912 901 HG LEU 80 HG LEU 80 -7.137 1.419 -12.337 902 1HD1 LEU 80 1HD1 LEU 80 -7.550 -1.138 -13.868 903 2HD1 LEU 80 2HD1 LEU 80 -7.386 0.467 -14.582 904 3HD1 LEU 80 3HD1 LEU 80 -8.766 0.098 -13.545 905 1HD2 LEU 80 1HD2 LEU 80 -8.384 -0.251 -11.080 906 2HD2 LEU 80 2HD2 LEU 80 -6.760 -0.059 -10.421 907 3HD2 LEU 80 3HD2 LEU 80 -7.143 -1.455 -11.427 908 H GLU 81 H GLU 81 -3.013 2.054 -13.150 909 HA GLU 81 HA GLU 81 -0.937 0.145 -13.540 910 1HB GLU 81 1HB GLU 81 0.301 2.189 -14.466 911 2HB GLU 81 2HB GLU 81 -1.176 1.691 -15.277 912 1HG GLU 81 1HG GLU 81 -1.334 3.766 -13.149 913 2HG GLU 81 2HG GLU 81 -0.703 4.209 -14.733 914 H ALA 82 H ALA 82 -1.707 1.600 -10.781 915 HA ALA 82 HA ALA 82 1.043 2.092 -9.900 916 1HB ALA 82 1HB ALA 82 -0.634 3.779 -9.304 917 2HB ALA 82 2HB ALA 82 0.050 3.011 -7.871 918 3HB ALA 82 3HB ALA 82 -1.557 2.551 -8.436 919 H VAL 83 H VAL 83 -0.862 -0.484 -10.298 920 HA VAL 83 HA VAL 83 0.411 -1.876 -8.053 921 HB VAL 83 HB VAL 83 -1.913 -1.708 -7.440 922 1HG1 VAL 83 1HG1 VAL 83 -2.569 -2.948 -10.103 923 2HG1 VAL 83 2HG1 VAL 83 -2.900 -1.286 -9.611 924 3HG1 VAL 83 3HG1 VAL 83 -3.717 -2.626 -8.804 925 1HG2 VAL 83 1HG2 VAL 83 -1.056 -3.753 -6.728 926 2HG2 VAL 83 2HG2 VAL 83 -1.029 -4.415 -8.365 927 3HG2 VAL 83 3HG2 VAL 83 -2.571 -4.181 -7.537 928 H ARG 84 H ARG 84 1.739 -3.391 -8.723 929 HA ARG 84 HA ARG 84 1.437 -4.377 -11.473 930 1HB ARG 84 1HB ARG 84 3.888 -4.039 -9.751 931 2HB ARG 84 2HB ARG 84 3.897 -4.948 -11.259 932 1HG ARG 84 1HG ARG 84 3.144 -2.939 -12.454 933 2HG ARG 84 2HG ARG 84 3.200 -2.036 -10.940 934 1HD ARG 84 1HD ARG 84 5.577 -2.370 -10.773 935 2HD ARG 84 2HD ARG 84 5.565 -3.432 -12.182 936 HE ARG 84 HE ARG 84 4.557 -1.183 -13.215 937 1HH1 ARG 84 1HH1 ARG 84 7.360 -1.731 -11.199 938 2HH1 ARG 84 2HH1 ARG 84 8.250 -0.381 -11.824 939 1HH2 ARG 84 1HH2 ARG 84 5.714 0.586 -14.061 940 2HH2 ARG 84 2HH2 ARG 84 7.307 0.950 -13.467 941 H ALA 85 H ALA 85 1.308 -6.479 -11.905 942 HA ALA 85 HA ALA 85 0.526 -8.179 -9.726 943 1HB ALA 85 1HB ALA 85 0.725 -8.781 -12.667 944 2HB ALA 85 2HB ALA 85 -0.703 -8.163 -11.835 945 3HB ALA 85 3HB ALA 85 -0.084 -9.770 -11.452 946 H ASP 86 H ASP 86 3.328 -7.864 -11.804 947 HA ASP 86 HA ASP 86 4.422 -10.428 -11.309 948 1HB ASP 86 1HB ASP 86 5.230 -9.060 -13.164 949 2HB ASP 86 2HB ASP 86 5.833 -7.850 -12.036 950 H ARG 87 H ARG 87 6.047 -7.490 -10.210 951 HA ARG 87 HA ARG 87 5.622 -7.812 -7.471 952 1HB ARG 87 1HB ARG 87 7.048 -9.893 -7.990 953 2HB ARG 87 2HB ARG 87 8.378 -8.771 -8.250 954 1HG ARG 87 1HG ARG 87 8.610 -9.510 -6.040 955 2HG ARG 87 2HG ARG 87 7.905 -7.895 -5.916 956 1HD ARG 87 1HD ARG 87 6.675 -9.209 -4.407 957 2HD ARG 87 2HD ARG 87 5.644 -9.064 -5.830 958 HE ARG 87 HE ARG 87 7.316 -11.449 -5.340 959 1HH1 ARG 87 1HH1 ARG 87 4.258 -9.994 -6.218 960 2HH1 ARG 87 2HH1 ARG 87 3.448 -11.513 -6.430 961 1HH2 ARG 87 1HH2 ARG 87 6.244 -13.449 -5.583 962 2HH2 ARG 87 2HH2 ARG 87 4.564 -13.477 -6.040 963 H MET 88 H MET 88 5.740 -5.690 -7.006 964 HA MET 88 HA MET 88 8.305 -4.387 -7.287 965 1HB MET 88 1HB MET 88 7.306 -3.729 -9.387 966 2HB MET 88 2HB MET 88 5.822 -3.244 -8.576 967 1HG MET 88 1HG MET 88 7.236 -1.338 -9.223 968 2HG MET 88 2HG MET 88 6.945 -1.423 -7.486 969 1HE MET 88 1HE MET 88 9.546 -1.998 -10.378 970 2HE MET 88 2HE MET 88 9.433 -3.597 -9.640 971 3HE MET 88 3HE MET 88 10.920 -2.659 -9.491 972 H ARG 89 H ARG 89 8.524 -4.177 -5.141 973 HA ARG 89 HA ARG 89 6.306 -3.114 -3.573 974 1HB ARG 89 1HB ARG 89 8.921 -4.413 -2.866 975 2HB ARG 89 2HB ARG 89 7.949 -3.588 -1.652 976 1HG ARG 89 1HG ARG 89 6.113 -5.080 -2.017 977 2HG ARG 89 2HG ARG 89 6.932 -5.822 -3.391 978 1HD ARG 89 1HD ARG 89 8.123 -5.838 -0.637 979 2HD ARG 89 2HD ARG 89 6.972 -7.069 -1.158 980 HE ARG 89 HE ARG 89 9.379 -6.606 -2.766 981 1HH1 ARG 89 1HH1 ARG 89 7.541 -8.642 -0.591 982 2HH1 ARG 89 2HH1 ARG 89 8.472 -10.076 -0.937 983 1HH2 ARG 89 1HH2 ARG 89 10.603 -8.492 -3.243 984 2HH2 ARG 89 2HH2 ARG 89 10.222 -9.985 -2.431 985 H GLY 90 H GLY 90 8.485 -1.717 -5.422 986 1HA GLY 90 1HA GLY 90 9.183 0.440 -3.566 987 2HA GLY 90 2HA GLY 90 9.792 0.249 -5.207 988 H GLY 91 H GLY 91 7.705 1.976 -3.291 989 1HA GLY 91 1HA GLY 91 5.424 2.224 -4.944 990 2HA GLY 91 2HA GLY 91 5.867 3.303 -3.633 991 H ARG 92 H ARG 92 8.520 3.705 -5.199 992 HA ARG 92 HA ARG 92 7.389 5.805 -6.915 993 1HB ARG 92 1HB ARG 92 10.128 5.647 -5.656 994 2HB ARG 92 2HB ARG 92 9.546 6.959 -6.669 995 1HG ARG 92 1HG ARG 92 7.843 7.499 -5.017 996 2HG ARG 92 2HG ARG 92 8.396 6.164 -4.003 997 1HD ARG 92 1HD ARG 92 10.630 7.232 -3.904 998 2HD ARG 92 2HD ARG 92 9.978 8.602 -4.801 999 HE ARG 92 HE ARG 92 8.373 8.802 -2.848 1000 1HH1 ARG 92 1HH1 ARG 92 11.626 7.526 -2.563 1001 2HH1 ARG 92 2HH1 ARG 92 11.805 7.991 -0.903 1002 1HH2 ARG 92 1HH2 ARG 92 8.599 9.411 -0.655 1003 2HH2 ARG 92 2HH2 ARG 92 10.067 9.056 0.191 1004 H ASN 93 H ASN 93 7.143 4.714 -8.810 1005 HA ASN 93 HA ASN 93 9.586 3.620 -10.047 1006 1HB ASN 93 1HB ASN 93 6.687 3.121 -10.782 1007 2HB ASN 93 2HB ASN 93 8.084 2.381 -11.553 1008 1HD2 ASN 93 1HD2 ASN 93 9.497 2.063 -8.993 1009 2HD2 ASN 93 2HD2 ASN 93 8.712 0.748 -8.188 1010 H LYS 94 H LYS 94 7.927 3.770 -12.645 1011 HA LYS 94 HA LYS 94 8.860 6.167 -13.716 1012 1HB LYS 94 1HB LYS 94 8.152 4.345 -15.140 1013 2HB LYS 94 2HB LYS 94 6.511 4.438 -14.519 1014 1HG LYS 94 1HG LYS 94 6.626 5.397 -16.727 1015 2HG LYS 94 2HG LYS 94 6.260 6.652 -15.543 1016 1HD LYS 94 1HD LYS 94 8.656 7.283 -15.542 1017 2HD LYS 94 2HD LYS 94 8.936 6.096 -16.819 1018 1HE LYS 94 1HE LYS 94 7.347 7.279 -18.260 1019 2HE LYS 94 2HE LYS 94 7.082 8.470 -16.986 1020 1HZ LYS 94 1HZ LYS 94 8.643 9.284 -18.622 1021 2HZ LYS 94 2HZ LYS 94 9.654 7.948 -18.377 1022 3HZ LYS 94 3HZ LYS 94 9.423 9.079 -17.131 1023 H PHE 95 H PHE 95 6.018 5.471 -11.861 1024 HA PHE 95 HA PHE 95 4.687 7.952 -12.463 1025 1HB PHE 95 1HB PHE 95 4.110 5.855 -10.357 1026 2HB PHE 95 2HB PHE 95 3.053 7.203 -10.766 1027 HD1 PHE 95 HD1 PHE 95 1.607 7.107 -12.624 1028 HD2 PHE 95 HD2 PHE 95 4.545 4.082 -12.049 1029 HE1 PHE 95 HE1 PHE 95 0.561 5.760 -14.392 1030 HE2 PHE 95 HE2 PHE 95 3.505 2.729 -13.818 1031 HZ PHE 95 HZ PHE 95 1.513 3.569 -14.994 1032 H GLY 96 H GLY 96 7.381 7.380 -10.786 1033 1HA GLY 96 1HA GLY 96 7.054 8.531 -8.266 1034 2HA GLY 96 2HA GLY 96 8.553 8.506 -9.179 1035 HA PRO 97 HA PRO 97 8.506 12.819 -10.170 1036 1HB PRO 97 1HB PRO 97 7.741 13.022 -12.848 1037 2HB PRO 97 2HB PRO 97 9.388 12.791 -12.256 1038 1HG PRO 97 1HG PRO 97 7.442 10.779 -13.289 1039 2HG PRO 97 2HG PRO 97 9.201 10.862 -13.509 1040 1HD PRO 97 1HD PRO 97 8.104 9.131 -11.795 1041 2HD PRO 97 2HD PRO 97 9.629 9.958 -11.411 1042 H MET 98 H MET 98 5.692 11.305 -11.780 1043 HA MET 98 HA MET 98 4.115 13.670 -11.597 1044 1HB MET 98 1HB MET 98 2.227 12.298 -12.304 1045 2HB MET 98 2HB MET 98 3.633 11.986 -13.309 1046 1HG MET 98 1HG MET 98 3.983 9.884 -12.356 1047 2HG MET 98 2HG MET 98 2.956 10.249 -10.972 1048 1HE MET 98 1HE MET 98 0.372 10.161 -10.955 1049 2HE MET 98 2HE MET 98 -0.621 10.060 -12.409 1050 3HE MET 98 3HE MET 98 0.378 11.484 -12.122 1051 H TYR 99 H TYR 99 4.623 10.915 -9.519 1052 HA TYR 99 HA TYR 99 2.414 11.239 -7.799 1053 1HB TYR 99 1HB TYR 99 4.141 9.311 -7.994 1054 2HB TYR 99 2HB TYR 99 5.124 10.276 -6.902 1055 HD1 TYR 99 HD1 TYR 99 4.950 9.848 -4.642 1056 HD2 TYR 99 HD2 TYR 99 1.648 8.947 -7.168 1057 HE1 TYR 99 HE1 TYR 99 3.770 8.840 -2.733 1058 HE2 TYR 99 HE2 TYR 99 0.459 7.942 -5.268 1059 HH TYR 99 HH TYR 99 1.605 8.234 -2.019 1060 H LYS 100 H LYS 100 5.733 12.432 -7.651 1061 HA LYS 100 HA LYS 100 5.557 13.967 -5.314 1062 1HB LYS 100 1HB LYS 100 7.212 14.503 -7.791 1063 2HB LYS 100 2HB LYS 100 7.502 15.181 -6.197 1064 1HG LYS 100 1HG LYS 100 8.210 13.129 -5.326 1065 2HG LYS 100 2HG LYS 100 7.509 12.220 -6.668 1066 1HD LYS 100 1HD LYS 100 9.924 12.326 -6.901 1067 2HD LYS 100 2HD LYS 100 9.147 13.239 -8.194 1068 1HE LYS 100 1HE LYS 100 9.479 15.286 -6.692 1069 2HE LYS 100 2HE LYS 100 10.587 14.271 -5.768 1070 1HZ LYS 100 1HZ LYS 100 11.864 15.464 -7.351 1071 2HZ LYS 100 2HZ LYS 100 10.810 15.066 -8.616 1072 3HZ LYS 100 3HZ LYS 100 11.783 13.864 -7.916 1073 H ARG 101 H ARG 101 5.007 14.807 -8.702 1074 HA ARG 101 HA ARG 101 4.480 17.548 -8.274 1075 1HB ARG 101 1HB ARG 101 5.151 16.604 -10.451 1076 2HB ARG 101 2HB ARG 101 3.605 15.774 -10.559 1077 1HG ARG 101 1HG ARG 101 2.459 17.944 -10.563 1078 2HG ARG 101 2HG ARG 101 4.026 18.754 -10.511 1079 1HD ARG 101 1HD ARG 101 3.063 16.903 -12.688 1080 2HD ARG 101 2HD ARG 101 3.128 18.662 -12.787 1081 HE ARG 101 HE ARG 101 5.685 17.979 -12.188 1082 1HH1 ARG 101 1HH1 ARG 101 3.439 16.905 -14.661 1083 2HH1 ARG 101 2HH1 ARG 101 4.685 16.630 -15.846 1084 1HH2 ARG 101 1HH2 ARG 101 7.315 17.592 -13.709 1085 2HH2 ARG 101 2HH2 ARG 101 6.904 16.996 -15.294 1086 H ASP 102 H ASP 102 2.332 14.740 -8.643 1087 HA ASP 102 HA ASP 102 -0.108 16.084 -8.623 1088 1HB ASP 102 1HB ASP 102 0.789 13.334 -8.195 1089 2HB ASP 102 2HB ASP 102 -0.665 13.735 -7.285 1090 H ARG 103 H ARG 103 1.760 14.788 -5.886 1091 HA ARG 103 HA ARG 103 -0.065 15.615 -3.897 1092 1HB ARG 103 1HB ARG 103 1.805 13.978 -3.560 1093 2HB ARG 103 2HB ARG 103 2.926 15.335 -3.582 1094 1HG ARG 103 1HG ARG 103 1.691 16.306 -1.655 1095 2HG ARG 103 2HG ARG 103 0.727 14.830 -1.590 1096 1HD ARG 103 1HD ARG 103 2.482 14.642 0.017 1097 2HD ARG 103 2HD ARG 103 2.844 13.548 -1.316 1098 HE ARG 103 HE ARG 103 4.257 15.625 -2.083 1099 1HH1 ARG 103 1HH1 ARG 103 3.862 14.389 1.178 1100 2HH1 ARG 103 2HH1 ARG 103 5.458 14.869 1.681 1101 1HH2 ARG 103 1HH2 ARG 103 6.318 16.282 -1.422 1102 2HH2 ARG 103 2HH2 ARG 103 6.856 15.970 0.204 1103 H ALA 104 H ALA 104 2.687 17.205 -5.422 1104 HA ALA 104 HA ALA 104 2.738 19.490 -3.766 1105 1HB ALA 104 1HB ALA 104 4.608 18.868 -5.215 1106 2HB ALA 104 2HB ALA 104 4.073 20.519 -5.527 1107 3HB ALA 104 3HB ALA 104 3.627 19.222 -6.637 1108 H LEU 105 H LEU 105 1.034 18.756 -6.775 1109 HA LEU 105 HA LEU 105 -0.105 21.322 -7.131 1110 1HB LEU 105 1HB LEU 105 -1.060 18.623 -8.087 1111 2HB LEU 105 2HB LEU 105 -1.707 20.159 -8.630 1112 HG LEU 105 HG LEU 105 1.107 19.156 -9.064 1113 1HD1 LEU 105 1HD1 LEU 105 -1.175 19.606 -10.983 1114 2HD1 LEU 105 2HD1 LEU 105 -0.542 18.043 -10.463 1115 3HD1 LEU 105 3HD1 LEU 105 0.465 19.127 -11.424 1116 1HD2 LEU 105 1HD2 LEU 105 1.060 21.574 -8.722 1117 2HD2 LEU 105 2HD2 LEU 105 -0.189 21.728 -9.957 1118 3HD2 LEU 105 3HD2 LEU 105 1.425 21.171 -10.400 1119 H LYS 106 H LYS 106 -1.031 18.522 -5.273 1120 HA LYS 106 HA LYS 106 -3.670 19.325 -4.641 1121 1HB LYS 106 1HB LYS 106 -2.869 17.035 -4.310 1122 2HB LYS 106 2HB LYS 106 -1.752 17.596 -3.073 1123 1HG LYS 106 1HG LYS 106 -3.645 18.314 -1.698 1124 2HG LYS 106 2HG LYS 106 -4.756 17.720 -2.935 1125 1HD LYS 106 1HD LYS 106 -3.938 15.468 -2.632 1126 2HD LYS 106 2HD LYS 106 -2.733 16.033 -1.473 1127 1HE LYS 106 1HE LYS 106 -5.725 16.205 -1.139 1128 2HE LYS 106 2HE LYS 106 -4.667 15.037 -0.347 1129 1HZ LYS 106 1HZ LYS 106 -5.167 16.837 1.145 1130 2HZ LYS 106 2HZ LYS 106 -4.625 17.990 0.025 1131 3HZ LYS 106 3HZ LYS 106 -3.523 16.910 0.731 1132 H GLN 107 H GLN 107 -0.537 20.122 -3.325 1133 HA GLN 107 HA GLN 107 -1.667 21.526 -1.049 1134 1HB GLN 107 1HB GLN 107 1.181 21.222 -2.015 1135 2HB GLN 107 2HB GLN 107 0.717 22.071 -0.546 1136 1HG GLN 107 1HG GLN 107 -0.166 20.033 0.400 1137 2HG GLN 107 2HG GLN 107 0.170 19.163 -1.096 1138 1HE2 GLN 107 1HE2 GLN 107 1.115 18.730 1.657 1139 2HE2 GLN 107 2HE2 GLN 107 2.843 18.740 1.557 1140 H GLN 108 H GLN 108 -0.121 22.240 -4.116 1141 HA GLN 108 HA GLN 108 0.056 25.046 -3.780 1142 1HB GLN 108 1HB GLN 108 1.413 23.878 -5.424 1143 2HB GLN 108 2HB GLN 108 -0.027 23.339 -6.274 1144 1HG GLN 108 1HG GLN 108 -0.562 25.701 -6.775 1145 2HG GLN 108 2HG GLN 108 0.962 26.169 -6.021 1146 1HE2 GLN 108 1HE2 GLN 108 -0.529 24.576 -8.728 1147 2HE2 GLN 108 2HE2 GLN 108 0.867 24.560 -9.744 1148 H LYS 109 H LYS 109 -1.339 26.666 -4.302 1149 HA LYS 109 HA LYS 109 -4.098 25.902 -4.825 1150 1HB LYS 109 1HB LYS 109 -2.879 28.612 -4.248 1151 2HB LYS 109 2HB LYS 109 -4.597 28.315 -4.472 1152 1HG LYS 109 1HG LYS 109 -4.377 28.370 -2.174 1153 2HG LYS 109 2HG LYS 109 -4.330 26.641 -2.524 1154 1HD LYS 109 1HD LYS 109 -1.834 26.794 -2.505 1155 2HD LYS 109 2HD LYS 109 -1.997 28.459 -1.946 1156 1HE LYS 109 1HE LYS 109 -1.624 27.072 -0.038 1157 2HE LYS 109 2HE LYS 109 -3.304 27.608 -0.006 1158 1HZ LYS 109 1HZ LYS 109 -4.008 25.481 -0.828 1159 2HZ LYS 109 2HZ LYS 109 -3.012 25.233 0.528 1160 3HZ LYS 109 3HZ LYS 109 -2.401 24.970 -1.030 1161 H LYS 110 H LYS 110 -1.947 28.423 -6.145 1162 HA LYS 110 HA LYS 110 -2.779 27.646 -8.840 1163 1HB LYS 110 1HB LYS 110 -3.090 30.383 -7.633 1164 2HB LYS 110 2HB LYS 110 -2.912 30.169 -9.368 1165 1HG LYS 110 1HG LYS 110 -5.083 28.966 -7.663 1166 2HG LYS 110 2HG LYS 110 -5.251 30.370 -8.720 1167 1HD LYS 110 1HD LYS 110 -4.701 28.988 -10.656 1168 2HD LYS 110 2HD LYS 110 -4.499 27.585 -9.606 1169 1HE LYS 110 1HE LYS 110 -6.653 27.431 -10.599 1170 2HE LYS 110 2HE LYS 110 -6.879 27.869 -8.908 1171 1HZ LYS 110 1HZ LYS 110 -6.948 29.775 -11.187 1172 2HZ LYS 110 2HZ LYS 110 -7.240 30.152 -9.562 1173 3HZ LYS 110 3HZ LYS 110 -8.309 29.140 -10.402 1174 H ALA 111 H ALA 111 -1.417 28.576 -10.522 1175 HA ALA 111 HA ALA 111 1.132 29.695 -9.710 1176 1HB ALA 111 1HB ALA 111 1.525 27.284 -9.505 1177 2HB ALA 111 2HB ALA 111 2.456 27.974 -10.835 1178 3HB ALA 111 3HB ALA 111 0.990 27.053 -11.170 Start of MODEL 4 1 1H5* G 1 1H5* G 1 29.847 2.870 0.243 2 2H5* G 1 2H5* G 1 29.123 1.276 -0.027 3 H4* G 1 H4* G 1 28.452 2.813 2.000 4 H3* G 1 H3* G 1 27.324 0.530 0.947 5 H1* G 1 H1* G 1 25.418 3.713 1.870 6 H8 G 1 H8 G 1 25.141 2.957 -1.904 7 H1 G 1 H1 G 1 22.133 8.265 0.103 8 1H2 G 1 1H2 G 1 22.567 8.616 2.234 9 2H2 G 1 2H2 G 1 23.607 7.555 3.161 10 H5T G 1 H5T G 1 27.693 3.329 -1.147 11 1H2* G 1 1H2* G 1 25.595 1.579 -0.320 12 2H2* G 1 2H2* G 1 24.786 1.464 1.236 13 1H5* G 2 1H5* G 2 26.344 2.656 4.773 14 2H5* G 2 2H5* G 2 26.135 1.466 6.074 15 H4* G 2 H4* G 2 25.223 3.548 6.786 16 H3* G 2 H3* G 2 23.776 1.306 7.066 17 H1* G 2 H1* G 2 22.144 4.449 5.529 18 H8 G 2 H8 G 2 23.011 1.797 2.833 19 H1 G 2 H1 G 2 19.642 6.886 0.841 20 1H2 G 2 1H2 G 2 19.372 8.308 2.509 21 2H2 G 2 2H2 G 2 20.029 8.012 4.103 22 1H2* G 2 1H2* G 2 22.510 1.458 5.028 23 2H2* G 2 2H2* G 2 21.419 2.247 6.159 24 1H5* C 3 1H5* C 3 21.910 5.725 7.003 25 2H5* C 3 2H5* C 3 21.519 5.680 8.736 26 H4* C 3 H4* C 3 20.138 7.324 7.803 27 H3* C 3 H3* C 3 18.932 5.338 9.157 28 H1* C 3 H1* C 3 17.571 6.401 5.673 29 1H4 C 3 1H4 C 3 18.087 2.451 0.749 30 2H4 C 3 2H4 C 3 19.075 1.331 1.665 31 H5 C 3 H5 C 3 19.718 1.723 3.964 32 H6 C 3 H6 C 3 19.566 3.271 5.842 33 1H2* C 3 1H2* C 3 18.320 3.942 7.312 34 2H2* C 3 2H2* C 3 16.881 4.946 7.434 35 1H5* T 4 1H5* T 4 16.141 9.003 8.418 36 2H5* T 4 2H5* T 4 14.891 9.332 9.638 37 H4* T 4 H4* T 4 13.891 9.341 7.475 38 H3* T 4 H3* T 4 12.938 7.640 9.502 39 1H2* T 4 1H2* T 4 13.277 5.590 8.376 40 2H2* T 4 2H2* T 4 11.814 6.072 7.526 41 H1* T 4 H1* T 4 13.046 7.090 5.715 42 H3 T 4 H3 T 4 14.560 3.833 3.088 43 1H5M T 4 1H5M T 4 16.875 2.920 7.753 44 2H5M T 4 2H5M T 4 15.487 1.806 7.683 45 3H5M T 4 3H5M T 4 16.781 1.695 6.466 46 H6 T 4 H6 T 4 15.010 4.690 7.757 47 1H5* C 5 1H5* C 5 10.172 10.104 6.788 48 2H5* C 5 2H5* C 5 8.410 10.081 7.001 49 H4* C 5 H4* C 5 9.213 10.225 4.643 50 H3* C 5 H3* C 5 6.986 8.922 5.566 51 H1* C 5 H1* C 5 9.462 7.326 3.000 52 1H4 C 5 1H4 C 5 12.138 1.818 4.647 53 2H4 C 5 2H4 C 5 12.041 2.209 6.349 54 H5 C 5 H5 C 5 11.073 4.265 7.172 55 H6 C 5 H6 C 5 9.981 6.351 6.538 56 1H2* C 5 1H2* C 5 7.732 6.681 5.420 57 2H2* C 5 2H2* C 5 7.257 6.892 3.740 58 1H5* A 6 1H5* A 6 8.065 7.466 1.241 59 2H5* A 6 2H5* A 6 6.955 8.636 0.498 60 H4* A 6 H4* A 6 6.697 7.024 -1.024 61 H3* A 6 H3* A 6 4.522 6.984 0.548 62 H1* A 6 H1* A 6 6.386 3.641 -0.209 63 H8 A 6 H8 A 6 7.096 5.067 3.335 64 1H6 A 6 1H6 A 6 9.794 -0.404 4.413 65 2H6 A 6 2H6 A 6 9.348 1.140 5.108 66 H2 A 6 H2 A 6 8.404 -0.351 0.148 67 1H2* A 6 1H2* A 6 5.168 5.260 2.063 68 2H2* A 6 2H2* A 6 4.354 4.293 0.840 69 1H5* G 7 1H5* G 7 6.532 3.287 -2.057 70 2H5* G 7 2H5* G 7 5.282 3.736 -3.237 71 H4* G 7 H4* G 7 5.992 1.520 -3.722 72 H3* G 7 H3* G 7 3.370 2.024 -3.508 73 H1* G 7 H1* G 7 4.868 -0.991 -1.637 74 H8 G 7 H8 G 7 4.045 1.911 0.798 75 H1 G 7 H1 G 7 6.470 -3.427 3.420 76 1H2 G 7 1H2 G 7 6.958 -4.877 1.820 77 2H2 G 7 2H2 G 7 6.687 -4.522 0.130 78 1H2* G 7 1H2* G 7 3.111 1.466 -1.177 79 2H2* G 7 2H2* G 7 2.672 -0.053 -1.946 80 1H5* G 8 1H5* G 8 4.159 -1.956 -6.331 81 2H5* G 8 2H5* G 8 2.638 -2.668 -6.908 82 H4* G 8 H4* G 8 4.419 -4.190 -5.866 83 H3* G 8 H3* G 8 1.655 -4.488 -5.998 84 H1* G 8 H1* G 8 3.871 -5.189 -2.836 85 H8 G 8 H8 G 8 1.773 -1.935 -2.662 86 H1 G 8 H1 G 8 3.420 -4.485 2.997 87 1H2 G 8 1H2 G 8 4.553 -6.354 2.682 88 2H2 G 8 2H2 G 8 4.894 -6.979 1.083 89 1H2* G 8 1H2* G 8 1.111 -4.272 -3.720 90 2H2* G 8 2H2* G 8 1.769 -5.899 -3.604 91 1H5* G 9 1H5* G 9 3.912 -6.829 -3.170 92 2H5* G 9 2H5* G 9 4.361 -8.141 -4.277 93 H4* G 9 H4* G 9 4.674 -9.284 -2.398 94 H3* G 9 H3* G 9 2.276 -10.075 -3.376 95 H1* G 9 H1* G 9 2.737 -9.204 0.384 96 H8 G 9 H8 G 9 0.922 -6.434 -1.626 97 H1 G 9 H1 G 9 0.723 -5.849 4.762 98 1H2 G 9 1H2 G 9 1.870 -7.477 5.711 99 2H2 G 9 2H2 G 9 2.679 -8.714 4.775 100 1H2* G 9 1H2* G 9 0.854 -8.759 -1.977 101 2H2* G 9 2H2* G 9 1.029 -10.187 -0.966 102 1H5* C 10 1H5* C 10 4.234 -12.440 0.540 103 2H5* C 10 2H5* C 10 3.584 -14.078 0.312 104 H4* C 10 H4* C 10 3.992 -13.444 2.673 105 H3* C 10 H3* C 10 1.983 -15.021 1.814 106 H1* C 10 H1* C 10 1.299 -12.116 4.241 107 1H4 C 10 1H4 C 10 -2.351 -7.226 2.574 108 2H4 C 10 2H4 C 10 -2.208 -7.604 0.872 109 H5 C 10 H5 C 10 -0.899 -9.467 0.044 110 H6 C 10 H6 C 10 0.527 -11.340 0.680 111 1H2* C 10 1H2* C 10 0.290 -13.328 1.621 112 2H2* C 10 2H2* C 10 0.004 -13.898 3.259 113 1H5* C 11 1H5* C 11 1.217 -12.307 5.621 114 2H5* C 11 2H5* C 11 2.211 -13.600 6.322 115 H4* C 11 H4* C 11 1.328 -12.877 8.239 116 H3* C 11 H3* C 11 0.022 -15.133 7.569 117 H1* C 11 H1* C 11 -2.119 -11.903 8.459 118 1H4 C 11 1H4 C 11 -5.239 -9.389 3.564 119 2H4 C 11 2H4 C 11 -4.480 -10.484 2.426 120 H5 C 11 H5 C 11 -2.827 -12.141 3.097 121 H6 C 11 H6 C 11 -1.578 -13.055 4.974 122 1H2* C 11 1H2* C 11 -1.953 -14.278 6.604 123 2H2* C 11 2H2* C 11 -2.460 -14.203 8.286 124 1H5* A 12 1H5* A 12 -2.201 -11.898 9.912 125 2H5* A 12 2H5* A 12 -1.544 -12.568 11.419 126 H4* A 12 H4* A 12 -3.299 -11.544 12.333 127 H3* A 12 H3* A 12 -3.915 -14.176 12.160 128 H1* A 12 H1* A 12 -6.458 -11.439 11.080 129 H8 A 12 H8 A 12 -4.997 -13.485 8.137 130 1H6 A 12 1H6 A 12 -8.868 -10.234 4.575 131 2H6 A 12 2H6 A 12 -7.701 -11.539 4.619 132 H2 A 12 H2 A 12 -9.208 -8.681 8.775 133 1H2* A 12 1H2* A 12 -5.289 -14.119 10.212 134 2H2* A 12 2H2* A 12 -6.508 -13.798 11.438 135 1H5* C 13 1H5* C 13 -6.205 -11.296 14.243 136 2H5* C 13 2H5* C 13 -7.012 -11.389 15.823 137 H4* C 13 H4* C 13 -8.271 -9.934 14.447 138 H3* C 13 H3* C 13 -9.506 -12.121 15.607 139 H1* C 13 H1* C 13 -10.201 -10.748 12.098 140 1H4 C 13 1H4 C 13 -9.594 -14.316 6.916 141 2H4 C 13 2H4 C 13 -8.610 -15.501 7.749 142 H5 C 13 H5 C 13 -8.025 -15.305 10.098 143 H6 C 13 H6 C 13 -8.276 -13.941 12.107 144 1H2* C 13 1H2* C 13 -9.881 -13.383 13.626 145 2H2* C 13 2H2* C 13 -11.293 -12.336 13.552 146 1H5* A 14 1H5* A 14 -11.988 -8.044 15.071 147 2H5* A 14 2H5* A 14 -13.378 -8.084 16.173 148 H4* A 14 H4* A 14 -13.773 -6.822 14.088 149 H3* A 14 H3* A 14 -15.616 -8.324 15.355 150 H1* A 14 H1* A 14 -15.047 -8.761 11.518 151 H8 A 14 H8 A 14 -13.339 -11.492 13.674 152 1H6 A 14 1H6 A 14 -12.797 -14.642 8.375 153 2H6 A 14 2H6 A 14 -12.486 -14.658 10.098 154 H2 A 14 H2 A 14 -14.796 -10.721 7.471 155 1H2* A 14 1H2* A 14 -15.392 -10.344 14.099 156 2H2* A 14 2H2* A 14 -16.619 -9.527 13.137 157 1H5* G 15 1H5* G 15 -16.053 -7.781 10.685 158 2H5* G 15 2H5* G 15 -16.636 -6.213 11.279 159 H4* G 15 H4* G 15 -17.518 -6.083 9.223 160 H3* G 15 H3* G 15 -19.541 -6.542 10.850 161 H1* G 15 H1* G 15 -19.010 -9.370 8.026 162 H8 G 15 H8 G 15 -17.651 -9.801 11.622 163 H1 G 15 H1 G 15 -16.665 -14.720 7.616 164 1H2 G 15 1H2 G 15 -17.400 -14.205 5.598 165 2H2 G 15 2H2 G 15 -18.132 -12.657 5.241 166 H3T G 15 H3T G 15 -20.900 -6.515 8.935 167 1H2* G 15 1H2* G 15 -19.615 -8.910 10.919 168 2H2* G 15 2H2* G 15 -20.644 -8.669 9.513 169 1H5* C 16 1H5* C 16 -18.486 -21.674 3.873 170 2H5* C 16 2H5* C 16 -16.805 -22.067 3.473 171 H4* C 16 H4* C 16 -18.029 -19.860 2.644 172 H3* C 16 H3* C 16 -15.483 -20.691 2.382 173 H1* C 16 H1* C 16 -16.280 -17.328 4.010 174 1H4 C 16 1H4 C 16 -15.140 -16.042 10.091 175 2H4 C 16 2H4 C 16 -14.697 -17.700 10.436 176 H5 C 16 H5 C 16 -14.791 -19.460 8.770 177 H6 C 16 H6 C 16 -15.307 -19.977 6.442 178 H5T C 16 H5T C 16 -17.596 -20.658 5.814 179 1H2* C 16 1H2* C 16 -14.677 -19.888 4.508 180 2H2* C 16 2H2* C 16 -14.263 -18.550 3.446 181 1H5* T 17 1H5* T 17 -17.178 -16.586 0.790 182 2H5* T 17 2H5* T 17 -16.244 -16.246 -0.681 183 H4* T 17 H4* T 17 -17.375 -14.272 0.260 184 H3* T 17 H3* T 17 -14.894 -14.263 -0.852 185 1H2* T 17 1H2* T 17 -13.564 -14.229 1.115 186 2H2* T 17 2H2* T 17 -13.857 -12.502 0.960 187 H1* T 17 H1* T 17 -15.604 -12.495 2.562 188 H3 T 17 H3 T 17 -13.892 -13.206 6.616 189 1H5M T 17 1H5M T 17 -11.544 -16.942 5.036 190 2H5M T 17 2H5M T 17 -12.350 -17.322 3.496 191 3H5M T 17 3H5M T 17 -13.111 -17.785 5.036 192 H6 T 17 H6 T 17 -13.860 -15.767 2.591 193 1H5* G 18 1H5* G 18 -16.620 -10.452 1.036 194 2H5* G 18 2H5* G 18 -16.580 -9.174 -0.195 195 H4* G 18 H4* G 18 -16.469 -8.106 1.890 196 H3* G 18 H3* G 18 -14.468 -7.637 0.086 197 H1* G 18 H1* G 18 -13.791 -8.218 3.885 198 H8 G 18 H8 G 18 -12.709 -11.164 1.598 199 H1 G 18 H1 G 18 -10.864 -11.505 7.740 200 1H2 G 18 1H2 G 18 -11.606 -9.744 8.848 201 2H2 G 18 2H2 G 18 -12.553 -8.490 8.076 202 1H2* G 18 1H2* G 18 -12.709 -8.850 1.109 203 2H2* G 18 2H2* G 18 -12.566 -7.364 2.038 204 1H5* T 19 1H5* T 19 -15.691 -4.549 3.182 205 2H5* T 19 2H5* T 19 -15.192 -2.847 3.081 206 H4* T 19 H4* T 19 -15.282 -3.743 5.381 207 H3* T 19 H3* T 19 -13.393 -2.016 4.421 208 1H2* T 19 1H2* T 19 -11.572 -3.521 4.168 209 2H2* T 19 2H2* T 19 -11.371 -3.151 5.877 210 H1* T 19 H1* T 19 -12.492 -5.118 6.597 211 H3 T 19 H3 T 19 -9.693 -8.490 5.838 212 1H5M T 19 1H5M T 19 -11.124 -6.500 1.030 213 2H5M T 19 2H5M T 19 -9.382 -6.752 1.290 214 3H5M T 19 3H5M T 19 -10.482 -8.150 1.208 215 H6 T 19 H6 T 19 -11.893 -5.401 2.943 216 1H5* G 20 1H5* G 20 -12.341 -3.723 8.148 217 2H5* G 20 2H5* G 20 -12.550 -2.567 9.478 218 H4* G 20 H4* G 20 -10.819 -3.656 10.354 219 H3* G 20 H3* G 20 -9.817 -1.364 9.173 220 H1* G 20 H1* G 20 -8.188 -4.773 9.251 221 H8 G 20 H8 G 20 -9.345 -4.101 5.597 222 H1 G 20 H1 G 20 -5.229 -8.957 6.466 223 1H2 G 20 1H2 G 20 -4.725 -9.131 8.611 224 2H2 G 20 2H2 G 20 -5.398 -8.054 9.816 225 1H2* G 20 1H2* G 20 -8.742 -2.448 7.328 226 2H2* G 20 2H2* G 20 -7.463 -2.552 8.529 227 1H5* G 21 1H5* G 21 -7.075 -5.160 10.465 228 2H5* G 21 2H5* G 21 -7.248 -4.304 12.012 229 H4* G 21 H4* G 21 -5.408 -5.453 12.544 230 H3* G 21 H3* G 21 -4.643 -2.927 11.978 231 H1* G 21 H1* G 21 -2.716 -5.955 10.401 232 H8 G 21 H8 G 21 -4.999 -3.982 7.980 233 H1 G 21 H1 G 21 -1.413 -8.594 5.313 234 1H2 G 21 1H2 G 21 -0.312 -9.694 6.869 235 2H2 G 21 2H2 G 21 -0.439 -9.289 8.566 236 1H2* G 21 1H2* G 21 -3.864 -3.218 9.749 237 2H2* G 21 2H2* G 21 -2.388 -3.623 10.612 238 1H5* C 22 1H5* C 22 -1.654 -6.299 12.455 239 2H5* C 22 2H5* C 22 -0.699 -5.861 13.886 240 H4* C 22 H4* C 22 0.691 -7.286 12.708 241 H3* C 22 H3* C 22 1.633 -4.770 13.049 242 H1* C 22 H1* C 22 1.912 -6.574 9.651 243 1H4 C 22 1H4 C 22 -1.092 -4.399 4.540 244 2H4 C 22 2H4 C 22 -1.947 -3.193 5.466 245 H5 C 22 H5 C 22 -1.748 -2.995 7.866 246 H6 C 22 H6 C 22 -0.663 -3.890 9.854 247 1H2* C 22 1H2* C 22 1.116 -3.895 10.885 248 2H2* C 22 2H2* C 22 2.731 -4.526 10.585 249 1H5* C 23 1H5* C 23 2.836 -7.844 9.567 250 2H5* C 23 2H5* C 23 3.873 -8.363 10.913 251 H4* C 23 H4* C 23 4.862 -9.431 9.154 252 H3* C 23 H3* C 23 6.468 -7.599 10.221 253 H1* C 23 H1* C 23 5.864 -7.378 6.319 254 1H4 C 23 1H4 C 23 2.209 -2.630 4.275 255 2H4 C 23 2H4 C 23 1.846 -2.118 5.907 256 H5 C 23 H5 C 23 2.678 -3.277 7.864 257 H6 C 23 H6 C 23 4.014 -5.161 8.651 258 1H2* C 23 1H2* C 23 5.957 -5.717 8.846 259 2H2* C 23 2H2* C 23 7.283 -6.405 7.917 260 1H5* C 24 1H5* C 24 8.063 -10.163 6.826 261 2H5* C 24 2H5* C 24 9.728 -10.738 7.061 262 H4* C 24 H4* C 24 9.230 -10.548 4.710 263 H3* C 24 H3* C 24 11.549 -9.679 5.686 264 H1* C 24 H1* C 24 9.493 -7.273 3.464 265 1H4 C 24 1H4 C 24 6.442 -2.293 5.860 266 2H4 C 24 2H4 C 24 6.966 -2.664 7.489 267 H5 C 24 H5 C 24 8.318 -4.608 8.027 268 H6 C 24 H6 C 24 9.401 -6.596 7.115 269 1H2* C 24 1H2* C 24 10.886 -7.416 6.174 270 2H2* C 24 2H2* C 24 11.616 -7.229 4.586 271 1H5* T 25 1H5* T 25 10.213 -9.202 1.409 272 2H5* T 25 2H5* T 25 11.490 -9.428 0.196 273 H4* T 25 H4* T 25 9.618 -8.094 -0.635 274 H3* T 25 H3* T 25 12.250 -7.528 -1.117 275 1H2* T 25 1H2* T 25 12.490 -5.721 0.435 276 2H2* T 25 2H2* T 25 11.935 -4.838 -0.981 277 H1* T 25 H1* T 25 9.629 -4.874 -0.254 278 H3 T 25 H3 T 25 9.619 -1.534 2.686 279 1H5M T 25 1H5M T 25 11.322 -5.413 5.582 280 2H5M T 25 2H5M T 25 12.894 -5.069 4.821 281 3H5M T 25 3H5M T 25 12.080 -3.815 5.787 282 H6 T 25 H6 T 25 11.543 -5.896 2.752 283 1H5* G 26 1H5* G 26 9.786 -3.582 -3.137 284 2H5* G 26 2H5* G 26 10.329 -4.097 -4.747 285 H4* G 26 H4* G 26 10.731 -1.869 -4.869 286 H3* G 26 H3* G 26 13.096 -3.351 -4.514 287 H1* G 26 H1* G 26 12.237 0.149 -2.971 288 H8 G 26 H8 G 26 13.543 -2.545 -0.600 289 H1 G 26 H1 G 26 11.125 2.650 2.294 290 1H2 G 26 1H2 G 26 10.157 3.960 0.815 291 2H2 G 26 2H2 G 26 10.105 3.567 -0.889 292 1H2* G 26 1H2* G 26 13.887 -2.370 -2.544 293 2H2* G 26 2H2* G 26 14.220 -0.973 -3.559 294 1H5* A 27 1H5* A 27 11.683 0.705 -3.972 295 2H5* A 27 2H5* A 27 11.586 0.373 -5.713 296 H4* A 27 H4* A 27 10.836 2.478 -5.781 297 H3* A 27 H3* A 27 13.321 2.521 -6.726 298 H1* A 27 H1* A 27 12.758 4.786 -3.369 299 H8 A 27 H8 A 27 14.399 1.291 -3.538 300 1H6 A 27 1H6 A 27 15.366 1.989 2.531 301 2H6 A 27 2H6 A 27 15.651 0.974 1.135 302 H2 A 27 H2 A 27 12.967 5.503 1.089 303 1H2* A 27 1H2* A 27 14.658 3.122 -4.890 304 2H2* A 27 2H2* A 27 14.083 4.750 -5.223 305 1H5* G 28 1H5* G 28 11.544 6.443 -6.077 306 2H5* G 28 2H5* G 28 11.733 7.801 -7.205 307 H4* G 28 H4* G 28 11.986 8.686 -5.049 308 H3* G 28 H3* G 28 14.086 8.953 -6.839 309 H1* G 28 H1* G 28 14.357 8.379 -3.074 310 H8 G 28 H8 G 28 15.752 5.336 -5.039 311 H1 G 28 H1 G 28 16.739 5.299 1.305 312 1H2 G 28 1H2 G 28 15.803 7.067 2.225 313 2H2 G 28 2H2 G 28 14.931 8.259 1.285 314 1H2* G 28 1H2* G 28 15.635 7.533 -5.727 315 2H2* G 28 2H2* G 28 15.920 9.009 -4.817 316 1H5* C 29 1H5* C 29 13.684 9.569 -2.024 317 2H5* C 29 2H5* C 29 13.268 11.205 -2.584 318 H4* C 29 H4* C 29 13.759 11.458 -0.320 319 H3* C 29 H3* C 29 15.202 12.937 -1.999 320 H1* C 29 H1* C 29 17.245 10.653 0.561 321 1H4 C 29 1H4 C 29 19.906 5.535 -2.040 322 2H4 C 29 2H4 C 29 19.311 5.954 -3.630 323 H5 C 29 H5 C 29 17.914 7.885 -4.043 324 H6 C 29 H6 C 29 16.805 9.799 -3.017 325 1H2* C 29 1H2* C 29 17.130 11.588 -2.300 326 2H2* C 29 2H2* C 29 17.647 12.453 -0.858 327 1H5* C 30 1H5* C 30 17.367 12.088 2.048 328 2H5* C 30 2H5* C 30 16.504 13.506 2.680 329 H4* C 30 H4* C 30 18.154 13.509 4.187 330 H3* C 30 H3* C 30 18.707 15.480 2.500 331 H1* C 30 H1* C 30 21.552 12.607 2.761 332 1H4 C 30 1H4 C 30 21.054 8.606 -2.150 333 2H4 C 30 2H4 C 30 20.264 9.847 -3.095 334 H5 C 30 H5 C 30 19.627 11.993 -2.182 335 H6 C 30 H6 C 30 19.631 13.390 -0.185 336 H3T C 30 H3T C 30 20.582 14.554 4.423 337 1H2* C 30 1H2* C 30 20.128 14.464 0.916 338 2H2* C 30 2H2* C 30 21.364 14.806 2.119 339 1H ASP 10 1H ASP 10 -3.867 11.882 9.452 340 HA ASP 10 HA ASP 10 -4.189 14.646 9.061 341 1HB ASP 10 1HB ASP 10 -2.969 12.507 7.333 342 2HB ASP 10 2HB ASP 10 -3.006 14.198 6.846 343 H GLU 11 H GLU 11 -4.798 12.287 6.565 344 HA GLU 11 HA GLU 11 -7.125 13.877 5.711 345 1HB GLU 11 1HB GLU 11 -5.404 12.169 3.916 346 2HB GLU 11 2HB GLU 11 -6.584 13.371 3.439 347 1HG GLU 11 1HG GLU 11 -4.003 13.976 4.843 348 2HG GLU 11 2HG GLU 11 -4.265 14.077 3.107 349 H LEU 12 H LEU 12 -8.918 12.701 4.852 350 HA LEU 12 HA LEU 12 -8.893 9.837 5.439 351 1HB LEU 12 1HB LEU 12 -11.143 11.825 5.262 352 2HB LEU 12 2HB LEU 12 -11.421 10.094 5.247 353 HG LEU 12 HG LEU 12 -10.055 10.074 7.423 354 1HD1 LEU 12 1HD1 LEU 12 -9.211 12.328 7.329 355 2HD1 LEU 12 2HD1 LEU 12 -10.196 12.083 8.770 356 3HD1 LEU 12 3HD1 LEU 12 -10.855 12.965 7.390 357 1HD2 LEU 12 1HD2 LEU 12 -12.421 9.552 7.304 358 2HD2 LEU 12 2HD2 LEU 12 -12.815 11.271 7.342 359 3HD2 LEU 12 3HD2 LEU 12 -12.069 10.505 8.745 360 H CYS 13 H CYS 13 -9.577 8.366 3.959 361 HA CYS 13 HA CYS 13 -8.787 8.813 1.311 362 1HB CYS 13 1HB CYS 13 -10.596 6.591 2.262 363 2HB CYS 13 2HB CYS 13 -9.497 6.565 0.887 364 HG CYS 13 HG CYS 13 -8.613 6.570 4.195 365 HA PRO 14 HA PRO 14 -12.512 10.637 -0.321 366 1HB PRO 14 1HB PRO 14 -11.779 10.586 -2.929 367 2HB PRO 14 2HB PRO 14 -11.111 11.747 -1.776 368 1HG PRO 14 1HG PRO 14 -9.939 9.167 -2.757 369 2HG PRO 14 2HG PRO 14 -9.151 10.744 -2.567 370 1HD PRO 14 1HD PRO 14 -8.880 8.778 -0.745 371 2HD PRO 14 2HD PRO 14 -8.913 10.493 -0.285 372 H VAL 15 H VAL 15 -11.534 7.467 -0.557 373 HA VAL 15 HA VAL 15 -13.730 6.695 -2.339 374 HB VAL 15 HB VAL 15 -11.553 4.943 -1.182 375 1HG1 VAL 15 1HG1 VAL 15 -13.560 3.693 -1.711 376 2HG1 VAL 15 2HG1 VAL 15 -12.296 3.331 -2.887 377 3HG1 VAL 15 3HG1 VAL 15 -13.616 4.423 -3.317 378 1HG2 VAL 15 1HG2 VAL 15 -10.617 6.590 -2.699 379 2HG2 VAL 15 2HG2 VAL 15 -11.806 6.154 -3.926 380 3HG2 VAL 15 3HG2 VAL 15 -10.583 4.984 -3.428 381 H CYS 16 H CYS 16 -12.329 5.329 0.652 382 HA CYS 16 HA CYS 16 -14.877 4.156 1.311 383 1HB CYS 16 1HB CYS 16 -13.622 3.205 3.249 384 2HB CYS 16 2HB CYS 16 -12.903 2.832 1.685 385 HG CYS 16 HG CYS 16 -11.321 3.840 4.196 386 H GLY 17 H GLY 17 -13.384 7.111 1.952 387 1HA GLY 17 1HA GLY 17 -13.955 8.860 3.325 388 2HA GLY 17 2HA GLY 17 -15.441 7.988 3.683 389 H ASP 18 H ASP 18 -12.120 6.930 4.277 390 HA ASP 18 HA ASP 18 -12.519 7.354 7.147 391 1HB ASP 18 1HB ASP 18 -12.952 4.887 6.227 392 2HB ASP 18 2HB ASP 18 -11.195 4.810 6.322 393 H LYS 19 H LYS 19 -10.375 6.907 8.309 394 HA LYS 19 HA LYS 19 -8.601 8.881 7.418 395 1HB LYS 19 1HB LYS 19 -7.974 6.652 9.356 396 2HB LYS 19 2HB LYS 19 -7.226 8.242 9.286 397 1HG LYS 19 1HG LYS 19 -9.176 9.304 10.085 398 2HG LYS 19 2HG LYS 19 -10.153 7.855 9.838 399 1HD LYS 19 1HD LYS 19 -7.922 8.196 11.841 400 2HD LYS 19 2HD LYS 19 -9.650 8.138 12.196 401 1HE LYS 19 1HE LYS 19 -8.045 5.910 10.952 402 2HE LYS 19 2HE LYS 19 -8.512 5.998 12.648 403 1HZ LYS 19 1HZ LYS 19 -10.312 5.701 10.297 404 2HZ LYS 19 2HZ LYS 19 -10.868 6.035 11.863 405 3HZ LYS 19 3HZ LYS 19 -10.048 4.585 11.548 406 H VAL 20 H VAL 20 -6.537 8.807 6.522 407 HA VAL 20 HA VAL 20 -6.053 6.475 4.848 408 HB VAL 20 HB VAL 20 -4.426 7.820 3.667 409 1HG1 VAL 20 1HG1 VAL 20 -6.938 9.384 4.233 410 2HG1 VAL 20 2HG1 VAL 20 -6.751 8.100 3.037 411 3HG1 VAL 20 3HG1 VAL 20 -5.872 9.618 2.848 412 1HG2 VAL 20 1HG2 VAL 20 -4.933 9.944 5.749 413 2HG2 VAL 20 2HG2 VAL 20 -3.960 10.145 4.292 414 3HG2 VAL 20 3HG2 VAL 20 -3.446 9.017 5.547 415 H SER 21 H SER 21 -3.848 5.657 4.580 416 HA SER 21 HA SER 21 -2.383 5.580 7.122 417 1HB SER 21 1HB SER 21 -3.007 3.397 6.157 418 2HB SER 21 2HB SER 21 -2.160 3.808 4.668 419 HG SER 21 HG SER 21 -0.364 4.170 6.457 420 H GLY 22 H GLY 22 -2.454 7.297 4.363 421 1HA GLY 22 1HA GLY 22 -0.858 9.014 3.927 422 2HA GLY 22 2HA GLY 22 0.396 7.963 4.571 423 H TYR 23 H TYR 23 -1.362 8.932 1.796 424 HA TYR 23 HA TYR 23 -1.125 8.533 -0.427 425 1HB TYR 23 1HB TYR 23 1.622 7.651 0.470 426 2HB TYR 23 2HB TYR 23 1.164 7.981 -1.200 427 HD1 TYR 23 HD1 TYR 23 0.300 10.333 -1.743 428 HD2 TYR 23 HD2 TYR 23 2.370 9.389 1.853 429 HE1 TYR 23 HE1 TYR 23 0.787 12.719 -1.400 430 HE2 TYR 23 HE2 TYR 23 2.862 11.773 2.198 431 HH TYR 23 HH TYR 23 1.263 14.201 0.635 432 H HIS 24 H HIS 24 0.449 6.531 -1.688 433 HA HIS 24 HA HIS 24 0.922 4.124 -1.411 434 1HB HIS 24 1HB HIS 24 -2.031 4.047 -0.788 435 2HB HIS 24 2HB HIS 24 -1.153 2.637 -1.363 436 HD1 HIS 24 HD1 HIS 24 1.382 3.728 0.592 437 HD2 HIS 24 HD2 HIS 24 -2.479 2.554 1.591 438 HE1 HIS 24 HE1 HIS 24 1.491 3.014 3.002 439 HE2 HIS 24 HE2 HIS 24 -0.806 2.087 3.504 440 H TYR 25 H TYR 25 -1.477 6.057 -2.920 441 HA TYR 25 HA TYR 25 -0.769 4.901 -5.508 442 1HB TYR 25 1HB TYR 25 -3.596 5.378 -4.513 443 2HB TYR 25 2HB TYR 25 -3.192 5.098 -6.204 444 HD1 TYR 25 HD1 TYR 25 -3.487 3.556 -2.886 445 HD2 TYR 25 HD2 TYR 25 -2.513 2.901 -6.972 446 HE1 TYR 25 HE1 TYR 25 -3.603 1.126 -2.518 447 HE2 TYR 25 HE2 TYR 25 -2.628 0.472 -6.619 448 HH TYR 25 HH TYR 25 -2.446 -1.133 -4.808 449 H GLY 26 H GLY 26 -2.806 6.683 -6.777 450 1HA GLY 26 1HA GLY 26 -1.140 9.014 -6.931 451 2HA GLY 26 2HA GLY 26 -2.643 8.753 -7.800 452 H LEU 27 H LEU 27 -2.327 8.562 -4.325 453 HA LEU 27 HA LEU 27 -2.997 11.105 -3.510 454 1HB LEU 27 1HB LEU 27 -5.417 10.890 -3.032 455 2HB LEU 27 2HB LEU 27 -5.066 10.939 -4.748 456 HG LEU 27 HG LEU 27 -5.102 8.239 -4.211 457 1HD1 LEU 27 1HD1 LEU 27 -7.308 9.565 -2.649 458 2HD1 LEU 27 2HD1 LEU 27 -5.983 8.611 -1.978 459 3HD1 LEU 27 3HD1 LEU 27 -7.191 7.843 -3.011 460 1HD2 LEU 27 1HD2 LEU 27 -7.172 8.247 -5.452 461 2HD2 LEU 27 2HD2 LEU 27 -6.049 9.419 -6.141 462 3HD2 LEU 27 3HD2 LEU 27 -7.387 9.968 -5.131 463 H LEU 28 H LEU 28 -4.385 10.818 -1.265 464 HA LEU 28 HA LEU 28 -2.756 8.919 0.201 465 1HB LEU 28 1HB LEU 28 -4.640 11.079 1.116 466 2HB LEU 28 2HB LEU 28 -3.823 9.986 2.218 467 HG LEU 28 HG LEU 28 -1.645 10.836 1.119 468 1HD1 LEU 28 1HD1 LEU 28 -2.700 11.976 -0.766 469 2HD1 LEU 28 2HD1 LEU 28 -1.748 13.089 0.219 470 3HD1 LEU 28 3HD1 LEU 28 -3.507 13.077 0.352 471 1HD2 LEU 28 1HD2 LEU 28 -1.557 12.735 2.657 472 2HD2 LEU 28 2HD2 LEU 28 -2.277 11.312 3.411 473 3HD2 LEU 28 3HD2 LEU 28 -3.305 12.640 2.869 474 H THR 29 H THR 29 -3.378 6.967 0.700 475 HA THR 29 HA THR 29 -6.260 6.404 0.918 476 HB THR 29 HB THR 29 -5.975 4.301 -0.231 477 HG1 THR 29 HG1 THR 29 -3.221 4.977 -0.088 478 1HG2 THR 29 1HG2 THR 29 -6.226 6.344 -1.654 479 2HG2 THR 29 2HG2 THR 29 -5.387 5.015 -2.457 480 3HG2 THR 29 3HG2 THR 29 -4.467 6.382 -1.821 481 H CYS 30 H CYS 30 -6.569 4.186 2.028 482 HA CYS 30 HA CYS 30 -4.624 3.927 4.222 483 1HB CYS 30 1HB CYS 30 -6.491 2.917 5.508 484 2HB CYS 30 2HB CYS 30 -6.838 4.568 5.005 485 HG CYS 30 HG CYS 30 -8.836 4.061 3.385 486 H GLU 31 H GLU 31 -4.921 1.542 5.214 487 HA GLU 31 HA GLU 31 -3.915 -0.245 3.264 488 1HB GLU 31 1HB GLU 31 -4.984 -0.781 6.041 489 2HB GLU 31 2HB GLU 31 -4.158 -1.975 5.048 490 1HG GLU 31 1HG GLU 31 -3.026 0.556 6.207 491 2HG GLU 31 2HG GLU 31 -2.573 -1.109 6.582 492 H SER 32 H SER 32 -7.110 0.466 4.400 493 HA SER 32 HA SER 32 -8.384 -1.894 3.483 494 1HB SER 32 1HB SER 32 -9.351 -0.277 5.142 495 2HB SER 32 2HB SER 32 -9.606 0.857 3.819 496 HG SER 32 HG SER 32 -11.357 -0.741 4.558 497 H CYS 33 H CYS 33 -7.724 1.257 1.999 498 HA CYS 33 HA CYS 33 -9.108 0.747 -0.424 499 1HB CYS 33 1HB CYS 33 -6.806 2.623 0.155 500 2HB CYS 33 2HB CYS 33 -7.736 2.614 -1.339 501 HG CYS 33 HG CYS 33 -9.429 4.333 -0.516 502 H LYS 34 H LYS 34 -5.661 0.578 0.429 503 HA LYS 34 HA LYS 34 -4.760 -0.403 -2.038 504 1HB LYS 34 1HB LYS 34 -3.213 0.555 -0.460 505 2HB LYS 34 2HB LYS 34 -3.607 -0.662 0.743 506 1HG LYS 34 1HG LYS 34 -2.489 -2.357 -0.463 507 2HG LYS 34 2HG LYS 34 -2.360 -1.347 -1.903 508 1HD LYS 34 1HD LYS 34 -0.224 -1.526 -0.688 509 2HD LYS 34 2HD LYS 34 -0.815 0.133 -0.767 510 1HE LYS 34 1HE LYS 34 0.046 -0.315 1.438 511 2HE LYS 34 2HE LYS 34 -1.701 -0.101 1.520 512 1HZ LYS 34 1HZ LYS 34 -1.062 -1.941 2.883 513 2HZ LYS 34 2HZ LYS 34 -0.223 -2.672 1.604 514 3HZ LYS 34 3HZ LYS 34 -1.906 -2.543 1.540 515 H GLY 35 H GLY 35 -5.946 -2.055 0.837 516 1HA GLY 35 1HA GLY 35 -5.300 -4.683 0.084 517 2HA GLY 35 2HA GLY 35 -6.584 -4.224 1.193 518 H PHE 36 H PHE 36 -8.426 -2.980 -0.230 519 HA PHE 36 HA PHE 36 -9.689 -5.096 -1.606 520 1HB PHE 36 1HB PHE 36 -11.021 -3.427 -0.476 521 2HB PHE 36 2HB PHE 36 -10.362 -2.149 -1.494 522 HD1 PHE 36 HD1 PHE 36 -12.444 -5.213 -1.551 523 HD2 PHE 36 HD2 PHE 36 -11.352 -1.615 -3.546 524 HE1 PHE 36 HE1 PHE 36 -14.272 -5.554 -3.161 525 HE2 PHE 36 HE2 PHE 36 -13.180 -1.950 -5.158 526 HZ PHE 36 HZ PHE 36 -14.641 -3.921 -4.966 527 H PHE 37 H PHE 37 -7.951 -2.246 -2.738 528 HA PHE 37 HA PHE 37 -8.604 -2.388 -5.449 529 1HB PHE 37 1HB PHE 37 -7.274 -0.594 -4.113 530 2HB PHE 37 2HB PHE 37 -5.869 -1.581 -4.497 531 HD1 PHE 37 HD1 PHE 37 -8.517 0.541 -5.862 532 HD2 PHE 37 HD2 PHE 37 -4.976 -1.653 -6.726 533 HE1 PHE 37 HE1 PHE 37 -8.353 1.674 -8.036 534 HE2 PHE 37 HE2 PHE 37 -4.805 -0.522 -8.906 535 HZ PHE 37 HZ PHE 37 -6.499 1.145 -9.559 536 H LYS 38 H LYS 38 -5.801 -3.715 -3.724 537 HA LYS 38 HA LYS 38 -4.714 -5.155 -5.878 538 1HB LYS 38 1HB LYS 38 -4.496 -5.469 -2.891 539 2HB LYS 38 2HB LYS 38 -3.637 -6.522 -4.004 540 1HG LYS 38 1HG LYS 38 -2.394 -4.679 -4.888 541 2HG LYS 38 2HG LYS 38 -3.363 -3.525 -3.969 542 1HD LYS 38 1HD LYS 38 -1.103 -4.060 -2.992 543 2HD LYS 38 2HD LYS 38 -2.472 -4.291 -1.904 544 1HE LYS 38 1HE LYS 38 -0.958 -6.158 -1.693 545 2HE LYS 38 2HE LYS 38 -2.459 -6.697 -2.451 546 1HZ LYS 38 1HZ LYS 38 0.097 -6.109 -3.843 547 2HZ LYS 38 2HZ LYS 38 -1.343 -6.539 -4.610 548 3HZ LYS 38 3HZ LYS 38 -0.572 -7.644 -3.584 549 H ARG 39 H ARG 39 -7.036 -6.093 -3.359 550 HA ARG 39 HA ARG 39 -7.327 -8.785 -3.855 551 1HB ARG 39 1HB ARG 39 -9.409 -6.717 -3.172 552 2HB ARG 39 2HB ARG 39 -9.796 -8.424 -3.298 553 1HG ARG 39 1HG ARG 39 -7.759 -7.260 -1.417 554 2HG ARG 39 2HG ARG 39 -9.420 -7.668 -0.987 555 1HD ARG 39 1HD ARG 39 -8.914 -10.016 -1.762 556 2HD ARG 39 2HD ARG 39 -7.221 -9.530 -1.848 557 HE ARG 39 HE ARG 39 -8.142 -8.845 0.680 558 1HH1 ARG 39 1HH1 ARG 39 -7.611 -11.752 -1.193 559 2HH1 ARG 39 2HH1 ARG 39 -7.352 -12.760 0.201 560 1HH2 ARG 39 1HH2 ARG 39 -7.843 -10.171 2.519 561 2HH2 ARG 39 2HH2 ARG 39 -7.520 -11.868 2.313 562 H THR 40 H THR 40 -8.984 -6.133 -5.534 563 HA THR 40 HA THR 40 -10.443 -7.787 -7.294 564 HB THR 40 HB THR 40 -9.596 -4.932 -7.813 565 HG1 THR 40 HG1 THR 40 -10.565 -4.831 -5.842 566 1HG2 THR 40 1HG2 THR 40 -12.028 -6.511 -8.669 567 2HG2 THR 40 2HG2 THR 40 -10.669 -6.064 -9.702 568 3HG2 THR 40 3HG2 THR 40 -11.720 -4.813 -9.036 569 H VAL 41 H VAL 41 -7.545 -5.799 -7.885 570 HA VAL 41 HA VAL 41 -7.235 -6.583 -10.563 571 HB VAL 41 HB VAL 41 -4.934 -5.606 -10.361 572 1HG1 VAL 41 1HG1 VAL 41 -7.245 -3.952 -9.352 573 2HG1 VAL 41 2HG1 VAL 41 -6.820 -4.236 -11.041 574 3HG1 VAL 41 3HG1 VAL 41 -5.736 -3.311 -10.001 575 1HG2 VAL 41 1HG2 VAL 41 -4.398 -4.395 -8.309 576 2HG2 VAL 41 2HG2 VAL 41 -4.506 -6.135 -8.041 577 3HG2 VAL 41 3HG2 VAL 41 -5.827 -5.081 -7.539 578 H GLN 42 H GLN 42 -5.615 -7.802 -7.635 579 HA GLN 42 HA GLN 42 -3.752 -9.357 -9.185 580 1HB GLN 42 1HB GLN 42 -4.317 -9.285 -6.228 581 2HB GLN 42 2HB GLN 42 -3.052 -10.244 -6.973 582 1HG GLN 42 1HG GLN 42 -3.284 -7.245 -6.970 583 2HG GLN 42 2HG GLN 42 -2.121 -8.215 -6.070 584 1HE2 GLN 42 1HE2 GLN 42 -0.408 -9.176 -7.163 585 2HE2 GLN 42 2HE2 GLN 42 0.072 -8.649 -8.739 586 H ASN 43 H ASN 43 -6.685 -9.976 -7.412 587 HA ASN 43 HA ASN 43 -6.456 -12.844 -7.688 588 1HB ASN 43 1HB ASN 43 -8.625 -11.053 -6.585 589 2HB ASN 43 2HB ASN 43 -8.847 -12.787 -6.775 590 1HD2 ASN 43 1HD2 ASN 43 -5.742 -11.494 -5.914 591 2HD2 ASN 43 2HD2 ASN 43 -5.746 -12.031 -4.268 592 H ASN 44 H ASN 44 -7.229 -10.303 -9.609 593 HA ASN 44 HA ASN 44 -8.011 -10.129 -11.722 594 1HB ASN 44 1HB ASN 44 -7.879 -13.152 -11.610 595 2HB ASN 44 2HB ASN 44 -8.055 -12.189 -13.067 596 1HD2 ASN 44 1HD2 ASN 44 -5.928 -14.046 -11.977 597 2HD2 ASN 44 2HD2 ASN 44 -4.468 -13.142 -12.131 598 H LYS 45 H LYS 45 -9.821 -9.886 -9.712 599 HA LYS 45 HA LYS 45 -12.122 -11.567 -10.315 600 1HB LYS 45 1HB LYS 45 -11.546 -9.585 -8.128 601 2HB LYS 45 2HB LYS 45 -13.121 -10.327 -8.354 602 1HG LYS 45 1HG LYS 45 -12.050 -12.549 -8.105 603 2HG LYS 45 2HG LYS 45 -10.528 -11.732 -7.750 604 1HD LYS 45 1HD LYS 45 -11.563 -10.648 -5.818 605 2HD LYS 45 2HD LYS 45 -13.086 -11.462 -6.177 606 1HE LYS 45 1HE LYS 45 -10.477 -12.748 -5.392 607 2HE LYS 45 2HE LYS 45 -11.950 -12.660 -4.428 608 1HZ LYS 45 1HZ LYS 45 -13.034 -13.954 -6.278 609 2HZ LYS 45 2HZ LYS 45 -11.906 -14.804 -5.347 610 3HZ LYS 45 3HZ LYS 45 -11.477 -14.243 -6.891 611 H HIS 46 H HIS 46 -14.213 -10.656 -10.577 612 HA HIS 46 HA HIS 46 -14.218 -7.950 -11.737 613 1HB HIS 46 1HB HIS 46 -15.590 -10.394 -12.888 614 2HB HIS 46 2HB HIS 46 -15.780 -8.749 -13.487 615 HD1 HIS 46 HD1 HIS 46 -14.405 -11.454 -14.835 616 HD2 HIS 46 HD2 HIS 46 -12.586 -7.951 -13.530 617 HE1 HIS 46 HE1 HIS 46 -12.258 -11.275 -16.141 618 HE2 HIS 46 HE2 HIS 46 -11.286 -9.038 -15.491 619 H TYR 47 H TYR 47 -15.221 -6.970 -10.067 620 HA TYR 47 HA TYR 47 -17.430 -8.241 -8.718 621 1HB TYR 47 1HB TYR 47 -16.096 -5.560 -8.338 622 2HB TYR 47 2HB TYR 47 -17.449 -6.122 -7.364 623 HD1 TYR 47 HD1 TYR 47 -17.084 -8.501 -6.253 624 HD2 TYR 47 HD2 TYR 47 -13.955 -5.933 -7.561 625 HE1 TYR 47 HE1 TYR 47 -15.525 -9.628 -4.720 626 HE2 TYR 47 HE2 TYR 47 -12.388 -7.055 -6.036 627 HH TYR 47 HH TYR 47 -12.493 -8.367 -3.939 628 H THR 48 H THR 48 -19.451 -7.145 -8.346 629 HA THR 48 HA THR 48 -20.295 -5.252 -10.400 630 HB THR 48 HB THR 48 -20.789 -7.469 -11.359 631 HG1 THR 48 HG1 THR 48 -22.461 -6.442 -12.129 632 1HG2 THR 48 1HG2 THR 48 -22.493 -7.873 -8.899 633 2HG2 THR 48 2HG2 THR 48 -21.016 -8.752 -9.297 634 3HG2 THR 48 3HG2 THR 48 -22.451 -8.937 -10.306 635 H CYS 49 H CYS 49 -22.905 -4.997 -9.849 636 HA CYS 49 HA CYS 49 -23.144 -4.747 -6.937 637 1HB CYS 49 1HB CYS 49 -22.390 -2.565 -7.772 638 2HB CYS 49 2HB CYS 49 -23.724 -2.536 -8.921 639 HG CYS 49 HG CYS 49 -24.296 -2.684 -5.556 640 H THR 50 H THR 50 -25.264 -4.849 -6.158 641 HA THR 50 HA THR 50 -27.102 -6.161 -7.990 642 HB THR 50 HB THR 50 -28.452 -6.583 -5.919 643 HG1 THR 50 HG1 THR 50 -27.902 -5.081 -4.447 644 1HG2 THR 50 1HG2 THR 50 -25.563 -7.461 -5.821 645 2HG2 THR 50 2HG2 THR 50 -26.852 -8.242 -6.738 646 3HG2 THR 50 3HG2 THR 50 -26.903 -8.234 -4.975 647 H GLU 51 H GLU 51 -26.637 -3.049 -6.652 648 HA GLU 51 HA GLU 51 -29.472 -2.396 -6.754 649 1HB GLU 51 1HB GLU 51 -27.193 -0.553 -6.032 650 2HB GLU 51 2HB GLU 51 -28.905 -0.298 -5.729 651 1HG GLU 51 1HG GLU 51 -27.069 -2.275 -4.414 652 2HG GLU 51 2HG GLU 51 -27.908 -0.911 -3.679 653 H SER 52 H SER 52 -26.980 -0.094 -7.632 654 HA SER 52 HA SER 52 -28.281 0.165 -10.261 655 1HB SER 52 1HB SER 52 -27.749 2.647 -9.971 656 2HB SER 52 2HB SER 52 -29.027 1.994 -8.945 657 HG SER 52 HG SER 52 -27.463 3.313 -7.811 658 H GLN 53 H GLN 53 -25.466 -0.635 -8.789 659 HA GLN 53 HA GLN 53 -23.330 -0.926 -9.470 660 1HB GLN 53 1HB GLN 53 -24.400 0.093 -12.091 661 2HB GLN 53 2HB GLN 53 -22.712 -0.341 -11.861 662 1HG GLN 53 1HG GLN 53 -23.372 -2.613 -11.270 663 2HG GLN 53 2HG GLN 53 -25.068 -2.180 -11.494 664 1HE2 GLN 53 1HE2 GLN 53 -22.554 -0.921 -13.533 665 2HE2 GLN 53 2HE2 GLN 53 -22.988 -1.803 -14.956 666 H SER 54 H SER 54 -24.715 2.210 -10.334 667 HA SER 54 HA SER 54 -22.211 3.474 -9.487 668 1HB SER 54 1HB SER 54 -24.640 4.714 -10.811 669 2HB SER 54 2HB SER 54 -23.118 5.534 -10.461 670 HG SER 54 HG SER 54 -22.659 3.269 -11.843 671 H CYS 55 H CYS 55 -22.746 2.703 -7.312 672 HA CYS 55 HA CYS 55 -24.897 4.178 -5.981 673 1HB CYS 55 1HB CYS 55 -23.198 1.906 -4.928 674 2HB CYS 55 2HB CYS 55 -24.623 2.592 -4.155 675 HG CYS 55 HG CYS 55 -26.088 1.847 -6.683 676 H LYS 56 H LYS 56 -24.332 4.821 -3.654 677 HA LYS 56 HA LYS 56 -21.948 6.482 -3.779 678 1HB LYS 56 1HB LYS 56 -24.077 7.495 -3.090 679 2HB LYS 56 2HB LYS 56 -24.196 6.354 -1.757 680 1HG LYS 56 1HG LYS 56 -22.100 7.299 -0.840 681 2HG LYS 56 2HG LYS 56 -22.147 8.524 -2.110 682 1HD LYS 56 1HD LYS 56 -24.312 9.299 -1.290 683 2HD LYS 56 2HD LYS 56 -24.285 8.062 -0.032 684 1HE LYS 56 1HE LYS 56 -22.205 9.074 0.850 685 2HE LYS 56 2HE LYS 56 -22.359 10.357 -0.348 686 1HZ LYS 56 1HZ LYS 56 -24.296 9.739 1.818 687 2HZ LYS 56 2HZ LYS 56 -24.504 10.942 0.640 688 3HZ LYS 56 3HZ LYS 56 -23.238 11.066 1.765 689 H ILE 57 H ILE 57 -20.265 6.371 -2.306 690 HA ILE 57 HA ILE 57 -20.102 3.832 -0.847 691 HB ILE 57 HB ILE 57 -17.863 5.717 -1.613 692 1HG1 ILE 57 1HG1 ILE 57 -18.924 4.680 -3.576 693 2HG1 ILE 57 2HG1 ILE 57 -17.300 4.052 -3.325 694 1HG2 ILE 57 1HG2 ILE 57 -16.389 3.862 -0.998 695 2HG2 ILE 57 2HG2 ILE 57 -17.790 2.912 -0.501 696 3HG2 ILE 57 3HG2 ILE 57 -17.368 4.384 0.374 697 1HD1 ILE 57 1HD1 ILE 57 -19.865 2.676 -2.554 698 2HD1 ILE 57 2HD1 ILE 57 -18.238 2.039 -2.311 699 3HD1 ILE 57 3HD1 ILE 57 -18.854 2.288 -3.946 700 H ASP 58 H ASP 58 -20.766 4.048 1.150 701 HA ASP 58 HA ASP 58 -19.802 6.322 2.755 702 1HB ASP 58 1HB ASP 58 -22.251 6.468 2.262 703 2HB ASP 58 2HB ASP 58 -22.467 4.904 3.036 704 H LYS 59 H LYS 59 -20.266 5.586 5.231 705 HA LYS 59 HA LYS 59 -18.336 3.654 5.806 706 1HB LYS 59 1HB LYS 59 -19.012 5.400 7.384 707 2HB LYS 59 2HB LYS 59 -20.601 4.667 7.537 708 1HG LYS 59 1HG LYS 59 -19.613 2.696 8.564 709 2HG LYS 59 2HG LYS 59 -18.002 3.391 8.371 710 1HD LYS 59 1HD LYS 59 -18.798 3.710 10.648 711 2HD LYS 59 2HD LYS 59 -18.647 5.263 9.826 712 1HE LYS 59 1HE LYS 59 -20.695 5.290 11.044 713 2HE LYS 59 2HE LYS 59 -21.097 5.147 9.334 714 1HZ LYS 59 1HZ LYS 59 -21.142 2.997 11.381 715 2HZ LYS 59 2HZ LYS 59 -21.293 2.701 9.721 716 3HZ LYS 59 3HZ LYS 59 -22.459 3.633 10.523 717 H THR 60 H THR 60 -21.818 3.383 5.458 718 HA THR 60 HA THR 60 -21.885 0.646 6.374 719 HB THR 60 HB THR 60 -24.304 0.817 5.598 720 HG1 THR 60 HG1 THR 60 -24.994 2.675 4.761 721 1HG2 THR 60 1HG2 THR 60 -23.285 2.838 7.598 722 2HG2 THR 60 2HG2 THR 60 -23.666 1.148 7.930 723 3HG2 THR 60 3HG2 THR 60 -24.950 2.270 7.475 724 H GLN 61 H GLN 61 -21.559 2.295 3.342 725 HA GLN 61 HA GLN 61 -22.486 -0.071 1.875 726 1HB GLN 61 1HB GLN 61 -22.229 2.817 1.059 727 2HB GLN 61 2HB GLN 61 -22.626 1.526 -0.068 728 1HG GLN 61 1HG GLN 61 -24.665 1.065 1.037 729 2HG GLN 61 2HG GLN 61 -24.223 2.075 2.411 730 1HE2 GLN 61 1HE2 GLN 61 -24.405 4.273 2.265 731 2HE2 GLN 61 2HE2 GLN 61 -25.275 5.061 0.999 732 H ARG 62 H ARG 62 -19.608 1.422 2.758 733 HA ARG 62 HA ARG 62 -18.148 1.024 0.347 734 1HB ARG 62 1HB ARG 62 -16.154 1.461 1.674 735 2HB ARG 62 2HB ARG 62 -17.410 2.635 2.022 736 1HG ARG 62 1HG ARG 62 -17.968 1.253 4.061 737 2HG ARG 62 2HG ARG 62 -16.479 0.355 3.744 738 1HD ARG 62 1HD ARG 62 -15.287 2.576 3.729 739 2HD ARG 62 2HD ARG 62 -16.777 3.292 4.334 740 HE ARG 62 HE ARG 62 -15.948 1.104 5.960 741 1HH1 ARG 62 1HH1 ARG 62 -15.349 4.499 5.285 742 2HH1 ARG 62 2HH1 ARG 62 -14.609 4.798 6.831 743 1HH2 ARG 62 1HH2 ARG 62 -14.963 1.521 7.994 744 2HH2 ARG 62 2HH2 ARG 62 -14.367 3.120 8.352 745 H LYS 63 H LYS 63 -19.086 -1.061 2.916 746 HA LYS 63 HA LYS 63 -17.317 -3.174 1.937 747 1HB LYS 63 1HB LYS 63 -18.243 -4.516 3.807 748 2HB LYS 63 2HB LYS 63 -17.467 -3.033 4.340 749 1HG LYS 63 1HG LYS 63 -19.563 -1.990 4.756 750 2HG LYS 63 2HG LYS 63 -20.439 -3.304 3.968 751 1HD LYS 63 1HD LYS 63 -20.541 -3.437 6.431 752 2HD LYS 63 2HD LYS 63 -19.767 -4.846 5.706 753 1HE LYS 63 1HE LYS 63 -17.561 -3.804 6.183 754 2HE LYS 63 2HE LYS 63 -18.402 -2.507 7.030 755 1HZ LYS 63 1HZ LYS 63 -17.578 -4.238 8.531 756 2HZ LYS 63 2HZ LYS 63 -18.555 -5.383 7.747 757 3HZ LYS 63 3HZ LYS 63 -19.269 -4.099 8.593 758 H ARG 64 H ARG 64 -20.236 -1.890 1.139 759 HA ARG 64 HA ARG 64 -21.641 -4.410 0.741 760 1HB ARG 64 1HB ARG 64 -22.450 -1.530 0.473 761 2HB ARG 64 2HB ARG 64 -23.458 -2.831 -0.143 762 1HG ARG 64 1HG ARG 64 -23.567 -3.793 2.109 763 2HG ARG 64 2HG ARG 64 -22.599 -2.446 2.714 764 1HD ARG 64 1HD ARG 64 -25.063 -2.191 3.047 765 2HD ARG 64 2HD ARG 64 -24.298 -0.875 2.159 766 HE ARG 64 HE ARG 64 -25.340 -2.896 0.422 767 1HH1 ARG 64 1HH1 ARG 64 -26.239 -0.131 2.368 768 2HH1 ARG 64 2HH1 ARG 64 -27.593 0.295 1.370 769 1HH2 ARG 64 1HH2 ARG 64 -27.121 -2.323 -0.911 770 2HH2 ARG 64 2HH2 ARG 64 -28.095 -0.941 -0.480 771 H CYS 65 H CYS 65 -20.963 -1.549 -1.274 772 HA CYS 65 HA CYS 65 -21.323 -3.209 -3.645 773 1HB CYS 65 1HB CYS 65 -21.041 -0.218 -3.312 774 2HB CYS 65 2HB CYS 65 -21.265 -1.030 -4.855 775 HG CYS 65 HG CYS 65 -23.750 -0.221 -4.558 776 HA PRO 66 HA PRO 66 -16.807 -3.329 -3.641 777 1HB PRO 66 1HB PRO 66 -16.581 -5.475 -5.277 778 2HB PRO 66 2HB PRO 66 -16.935 -5.619 -3.553 779 1HG PRO 66 1HG PRO 66 -18.771 -5.818 -5.891 780 2HG PRO 66 2HG PRO 66 -18.773 -6.741 -4.380 781 1HD PRO 66 1HD PRO 66 -20.458 -4.635 -4.917 782 2HD PRO 66 2HD PRO 66 -20.007 -5.165 -3.286 783 H PHE 67 H PHE 67 -18.807 -3.777 -6.552 784 HA PHE 67 HA PHE 67 -16.915 -2.890 -8.425 785 1HB PHE 67 1HB PHE 67 -18.942 -4.073 -9.091 786 2HB PHE 67 2HB PHE 67 -19.938 -2.748 -8.502 787 HD1 PHE 67 HD1 PHE 67 -17.289 -3.541 -10.985 788 HD2 PHE 67 HD2 PHE 67 -20.568 -1.041 -9.933 789 HE1 PHE 67 HE1 PHE 67 -17.203 -2.495 -13.211 790 HE2 PHE 67 HE2 PHE 67 -20.486 0.009 -12.156 791 HZ PHE 67 HZ PHE 67 -18.801 -0.718 -13.797 792 H CYS 68 H CYS 68 -19.447 -1.148 -6.663 793 HA CYS 68 HA CYS 68 -18.985 1.380 -7.805 794 1HB CYS 68 1HB CYS 68 -20.017 0.837 -5.017 795 2HB CYS 68 2HB CYS 68 -20.334 2.251 -6.018 796 HG CYS 68 HG CYS 68 -21.660 0.543 -7.991 797 H ARG 69 H ARG 69 -17.646 -0.232 -4.967 798 HA ARG 69 HA ARG 69 -16.135 1.950 -4.006 799 1HB ARG 69 1HB ARG 69 -16.660 0.044 -2.597 800 2HB ARG 69 2HB ARG 69 -15.756 -1.028 -3.656 801 1HG ARG 69 1HG ARG 69 -13.687 0.092 -3.058 802 2HG ARG 69 2HG ARG 69 -14.581 1.221 -2.035 803 1HD ARG 69 1HD ARG 69 -15.283 -0.568 -0.590 804 2HD ARG 69 2HD ARG 69 -14.562 -1.769 -1.661 805 HE ARG 69 HE ARG 69 -12.446 -0.259 -1.026 806 1HH1 ARG 69 1HH1 ARG 69 -14.966 -1.643 0.960 807 2HH1 ARG 69 2HH1 ARG 69 -13.921 -1.919 2.320 808 1HH2 ARG 69 1HH2 ARG 69 -11.060 -0.613 0.758 809 2HH2 ARG 69 2HH2 ARG 69 -11.694 -1.301 2.216 810 H PHE 70 H PHE 70 -15.376 -0.711 -6.206 811 HA PHE 70 HA PHE 70 -12.665 -0.116 -6.630 812 1HB PHE 70 1HB PHE 70 -13.696 -2.222 -7.342 813 2HB PHE 70 2HB PHE 70 -14.694 -1.360 -8.504 814 HD1 PHE 70 HD1 PHE 70 -13.964 -1.088 -10.680 815 HD2 PHE 70 HD2 PHE 70 -11.145 -2.048 -7.640 816 HE1 PHE 70 HE1 PHE 70 -12.228 -1.390 -12.393 817 HE2 PHE 70 HE2 PHE 70 -9.401 -2.350 -9.350 818 HZ PHE 70 HZ PHE 70 -9.941 -2.021 -11.729 819 H GLN 71 H GLN 71 -15.553 0.838 -8.480 820 HA GLN 71 HA GLN 71 -14.270 2.518 -10.309 821 1HB GLN 71 1HB GLN 71 -17.071 2.715 -9.188 822 2HB GLN 71 2HB GLN 71 -16.489 3.598 -10.591 823 1HG GLN 71 1HG GLN 71 -16.697 0.607 -10.343 824 2HG GLN 71 2HG GLN 71 -17.791 1.656 -11.242 825 1HE2 GLN 71 1HE2 GLN 71 -15.638 3.362 -12.246 826 2HE2 GLN 71 2HE2 GLN 71 -14.825 2.429 -13.460 827 H LYS 72 H LYS 72 -15.641 3.206 -7.111 828 HA LYS 72 HA LYS 72 -15.248 5.923 -6.934 829 1HB LYS 72 1HB LYS 72 -16.244 4.222 -5.256 830 2HB LYS 72 2HB LYS 72 -14.598 4.065 -4.662 831 1HG LYS 72 1HG LYS 72 -15.739 5.629 -3.285 832 2HG LYS 72 2HG LYS 72 -14.580 6.523 -4.274 833 1HD LYS 72 1HD LYS 72 -16.288 7.275 -5.735 834 2HD LYS 72 2HD LYS 72 -17.470 6.179 -5.025 835 1HE LYS 72 1HE LYS 72 -17.923 8.352 -4.179 836 2HE LYS 72 2HE LYS 72 -17.197 7.403 -2.884 837 1HZ LYS 72 1HZ LYS 72 -16.274 9.632 -2.972 838 2HZ LYS 72 2HZ LYS 72 -15.779 9.394 -4.575 839 3HZ LYS 72 3HZ LYS 72 -15.081 8.487 -3.326 840 H CYS 73 H CYS 73 -12.932 3.313 -6.309 841 HA CYS 73 HA CYS 73 -10.784 4.867 -5.429 842 1HB CYS 73 1HB CYS 73 -10.711 2.270 -6.984 843 2HB CYS 73 2HB CYS 73 -9.370 2.953 -6.074 844 HG CYS 73 HG CYS 73 -12.322 1.853 -4.733 845 H LEU 74 H LEU 74 -11.384 3.574 -8.722 846 HA LEU 74 HA LEU 74 -9.242 4.969 -9.903 847 1HB LEU 74 1HB LEU 74 -11.723 3.714 -11.041 848 2HB LEU 74 2HB LEU 74 -10.573 4.547 -12.057 849 HG LEU 74 HG LEU 74 -8.817 2.950 -11.119 850 1HD1 LEU 74 1HD1 LEU 74 -10.036 2.115 -9.230 851 2HD1 LEU 74 2HD1 LEU 74 -9.697 0.794 -10.349 852 3HD1 LEU 74 3HD1 LEU 74 -11.310 1.507 -10.284 853 1HD2 LEU 74 1HD2 LEU 74 -11.058 1.879 -12.819 854 2HD2 LEU 74 2HD2 LEU 74 -9.432 1.204 -12.715 855 3HD2 LEU 74 3HD2 LEU 74 -9.678 2.815 -13.389 856 H THR 75 H THR 75 -12.515 5.932 -9.186 857 HA THR 75 HA THR 75 -12.693 8.148 -10.927 858 HB THR 75 HB THR 75 -14.079 7.622 -8.293 859 HG1 THR 75 HG1 THR 75 -14.551 6.151 -10.008 860 1HG2 THR 75 1HG2 THR 75 -14.094 10.014 -8.777 861 2HG2 THR 75 2HG2 THR 75 -15.704 9.324 -8.987 862 3HG2 THR 75 3HG2 THR 75 -14.712 9.693 -10.397 863 H VAL 76 H VAL 76 -11.727 7.923 -7.504 864 HA VAL 76 HA VAL 76 -11.392 10.741 -7.249 865 HB VAL 76 HB VAL 76 -10.427 10.274 -5.054 866 1HG1 VAL 76 1HG1 VAL 76 -12.848 10.321 -5.298 867 2HG1 VAL 76 2HG1 VAL 76 -12.369 9.146 -4.073 868 3HG1 VAL 76 3HG1 VAL 76 -12.857 8.598 -5.678 869 1HG2 VAL 76 1HG2 VAL 76 -9.140 8.273 -5.643 870 2HG2 VAL 76 2HG2 VAL 76 -10.639 7.365 -5.826 871 3HG2 VAL 76 3HG2 VAL 76 -10.175 7.992 -4.244 872 H GLY 77 H GLY 77 -9.315 8.184 -8.320 873 1HA GLY 77 1HA GLY 77 -7.573 9.313 -9.814 874 2HA GLY 77 2HA GLY 77 -7.064 10.086 -8.323 875 H MET 78 H MET 78 -8.071 6.992 -7.580 876 HA MET 78 HA MET 78 -5.396 6.084 -7.178 877 1HB MET 78 1HB MET 78 -8.040 4.626 -6.971 878 2HB MET 78 2HB MET 78 -6.487 3.914 -6.546 879 1HG MET 78 1HG MET 78 -6.164 5.638 -4.844 880 2HG MET 78 2HG MET 78 -7.725 6.340 -5.264 881 1HE MET 78 1HE MET 78 -5.890 3.173 -3.834 882 2HE MET 78 2HE MET 78 -6.872 2.507 -5.139 883 3HE MET 78 3HE MET 78 -7.254 2.117 -3.461 884 H ARG 79 H ARG 79 -4.143 5.497 -8.757 885 HA ARG 79 HA ARG 79 -5.194 4.922 -11.352 886 1HB ARG 79 1HB ARG 79 -2.331 4.851 -10.383 887 2HB ARG 79 2HB ARG 79 -2.858 4.869 -12.061 888 1HG ARG 79 1HG ARG 79 -3.235 7.072 -10.040 889 2HG ARG 79 2HG ARG 79 -2.116 7.068 -11.404 890 1HD ARG 79 1HD ARG 79 -3.930 7.075 -12.971 891 2HD ARG 79 2HD ARG 79 -5.109 6.850 -11.681 892 HE ARG 79 HE ARG 79 -3.536 9.231 -11.380 893 1HH1 ARG 79 1HH1 ARG 79 -6.391 7.837 -12.848 894 2HH1 ARG 79 2HH1 ARG 79 -7.190 9.365 -13.054 895 1HH2 ARG 79 1HH2 ARG 79 -4.588 11.244 -11.604 896 2HH2 ARG 79 2HH2 ARG 79 -6.174 11.305 -12.331 897 H LEU 80 H LEU 80 -5.301 3.050 -12.410 898 HA LEU 80 HA LEU 80 -5.401 0.672 -10.842 899 1HB LEU 80 1HB LEU 80 -6.915 1.241 -12.759 900 2HB LEU 80 2HB LEU 80 -5.567 0.932 -13.838 901 HG LEU 80 HG LEU 80 -5.480 -1.407 -12.907 902 1HD1 LEU 80 1HD1 LEU 80 -6.673 -0.979 -10.824 903 2HD1 LEU 80 2HD1 LEU 80 -7.470 -2.235 -11.769 904 3HD1 LEU 80 3HD1 LEU 80 -8.137 -0.603 -11.732 905 1HD2 LEU 80 1HD2 LEU 80 -7.350 -2.182 -14.249 906 2HD2 LEU 80 2HD2 LEU 80 -6.490 -0.869 -15.060 907 3HD2 LEU 80 3HD2 LEU 80 -8.031 -0.554 -14.259 908 H GLU 81 H GLU 81 -3.163 2.030 -13.164 909 HA GLU 81 HA GLU 81 -1.578 -0.346 -13.397 910 1HB GLU 81 1HB GLU 81 0.054 1.148 -14.545 911 2HB GLU 81 2HB GLU 81 -1.558 1.185 -15.237 912 1HG GLU 81 1HG GLU 81 -0.752 3.235 -13.220 913 2HG GLU 81 2HG GLU 81 -0.239 3.388 -14.897 914 H ALA 82 H ALA 82 -2.032 1.440 -10.769 915 HA ALA 82 HA ALA 82 0.728 1.712 -9.927 916 1HB ALA 82 1HB ALA 82 -0.920 3.382 -9.233 917 2HB ALA 82 2HB ALA 82 -0.189 2.577 -7.845 918 3HB ALA 82 3HB ALA 82 -1.815 2.136 -8.364 919 H VAL 83 H VAL 83 -1.386 -0.805 -10.193 920 HA VAL 83 HA VAL 83 -0.223 -2.215 -7.903 921 HB VAL 83 HB VAL 83 -2.690 -2.331 -8.141 922 1HG1 VAL 83 1HG1 VAL 83 -3.672 -3.739 -9.885 923 2HG1 VAL 83 2HG1 VAL 83 -2.092 -3.860 -10.665 924 3HG1 VAL 83 3HG1 VAL 83 -2.901 -2.296 -10.549 925 1HG2 VAL 83 1HG2 VAL 83 -1.196 -4.926 -8.431 926 2HG2 VAL 83 2HG2 VAL 83 -2.879 -4.790 -7.919 927 3HG2 VAL 83 3HG2 VAL 83 -1.595 -4.081 -6.933 928 H ARG 84 H ARG 84 0.974 -4.077 -8.176 929 HA ARG 84 HA ARG 84 2.053 -4.411 -10.888 930 1HB ARG 84 1HB ARG 84 3.342 -4.952 -8.210 931 2HB ARG 84 2HB ARG 84 4.092 -5.259 -9.771 932 1HG ARG 84 1HG ARG 84 4.038 -2.894 -10.293 933 2HG ARG 84 2HG ARG 84 3.208 -2.560 -8.771 934 1HD ARG 84 1HD ARG 84 5.143 -3.440 -7.545 935 2HD ARG 84 2HD ARG 84 5.967 -3.730 -9.076 936 HE ARG 84 HE ARG 84 5.765 -1.239 -9.407 937 1HH1 ARG 84 1HH1 ARG 84 5.881 -2.681 -6.213 938 2HH1 ARG 84 2HH1 ARG 84 6.607 -1.288 -5.472 939 1HH2 ARG 84 1HH2 ARG 84 6.707 0.599 -8.420 940 2HH2 ARG 84 2HH2 ARG 84 7.050 0.577 -6.715 941 H ALA 85 H ALA 85 1.631 -6.238 -11.896 942 HA ALA 85 HA ALA 85 0.337 -8.406 -10.488 943 1HB ALA 85 1HB ALA 85 1.039 -8.149 -13.407 944 2HB ALA 85 2HB ALA 85 -0.490 -7.665 -12.673 945 3HB ALA 85 3HB ALA 85 -0.017 -9.365 -12.690 946 H ASP 86 H ASP 86 3.503 -7.627 -11.605 947 HA ASP 86 HA ASP 86 4.454 -10.336 -11.772 948 1HB ASP 86 1HB ASP 86 5.979 -7.725 -11.526 949 2HB ASP 86 2HB ASP 86 6.714 -9.293 -11.841 950 H ARG 87 H ARG 87 5.664 -7.770 -9.668 951 HA ARG 87 HA ARG 87 4.574 -8.678 -7.295 952 1HB ARG 87 1HB ARG 87 6.116 -10.632 -7.663 953 2HB ARG 87 2HB ARG 87 7.470 -9.518 -7.520 954 1HG ARG 87 1HG ARG 87 7.085 -10.683 -5.428 955 2HG ARG 87 2HG ARG 87 6.775 -8.956 -5.246 956 1HD ARG 87 1HD ARG 87 4.994 -9.978 -4.128 957 2HD ARG 87 2HD ARG 87 4.325 -9.528 -5.693 958 HE ARG 87 HE ARG 87 5.173 -12.270 -4.970 959 1HH1 ARG 87 1HH1 ARG 87 3.099 -10.070 -6.746 960 2HH1 ARG 87 2HH1 ARG 87 2.080 -11.331 -7.371 961 1HH2 ARG 87 1HH2 ARG 87 3.808 -13.931 -5.766 962 2HH2 ARG 87 2HH2 ARG 87 2.479 -13.521 -6.811 963 H MET 88 H MET 88 7.994 -7.863 -7.492 964 HA MET 88 HA MET 88 9.133 -6.228 -6.369 965 1HB MET 88 1HB MET 88 8.627 -5.101 -8.502 966 2HB MET 88 2HB MET 88 7.135 -4.476 -7.812 967 1HG MET 88 1HG MET 88 8.683 -2.714 -7.716 968 2HG MET 88 2HG MET 88 8.549 -3.333 -6.071 969 1HE MET 88 1HE MET 88 10.836 -2.484 -9.000 970 2HE MET 88 2HE MET 88 10.591 -4.194 -9.361 971 3HE MET 88 3HE MET 88 12.181 -3.616 -8.859 972 H ARG 89 H ARG 89 8.663 -6.686 -4.255 973 HA ARG 89 HA ARG 89 6.156 -5.988 -3.057 974 1HB ARG 89 1HB ARG 89 8.687 -7.203 -1.972 975 2HB ARG 89 2HB ARG 89 7.297 -6.848 -0.956 976 1HG ARG 89 1HG ARG 89 5.942 -8.401 -2.100 977 2HG ARG 89 2HG ARG 89 7.114 -8.569 -3.407 978 1HD ARG 89 1HD ARG 89 7.144 -10.494 -1.896 979 2HD ARG 89 2HD ARG 89 8.682 -9.636 -1.903 980 HE ARG 89 HE ARG 89 7.188 -8.617 0.205 981 1HH1 ARG 89 1HH1 ARG 89 8.625 -11.650 -0.767 982 2HH1 ARG 89 2HH1 ARG 89 8.876 -12.215 0.862 983 1HH2 ARG 89 1HH2 ARG 89 7.537 -9.335 2.368 984 2HH2 ARG 89 2HH2 ARG 89 8.250 -10.895 2.647 985 H GLY 90 H GLY 90 6.796 -3.614 -3.798 986 1HA GLY 90 1HA GLY 90 6.400 -1.801 -2.075 987 2HA GLY 90 2HA GLY 90 7.952 -2.301 -1.422 988 H GLY 91 H GLY 91 7.954 0.205 -1.910 989 1HA GLY 91 1HA GLY 91 9.412 1.707 -2.874 990 2HA GLY 91 2HA GLY 91 9.950 0.436 -3.958 991 H ARG 92 H ARG 92 9.676 2.990 -4.859 992 HA ARG 92 HA ARG 92 7.217 2.899 -6.467 993 1HB ARG 92 1HB ARG 92 7.713 5.329 -6.959 994 2HB ARG 92 2HB ARG 92 7.246 4.968 -5.307 995 1HG ARG 92 1HG ARG 92 10.141 5.106 -6.012 996 2HG ARG 92 2HG ARG 92 9.217 6.595 -5.806 997 1HD ARG 92 1HD ARG 92 8.549 5.861 -3.563 998 2HD ARG 92 2HD ARG 92 9.485 4.381 -3.771 999 HE ARG 92 HE ARG 92 11.333 6.292 -4.184 1000 1HH1 ARG 92 1HH1 ARG 92 8.986 5.820 -1.622 1001 2HH1 ARG 92 2HH1 ARG 92 9.970 6.564 -0.408 1002 1HH2 ARG 92 1HH2 ARG 92 12.632 7.278 -2.596 1003 2HH2 ARG 92 2HH2 ARG 92 12.054 7.399 -0.965 1004 H ASN 93 H ASN 93 7.656 4.111 -8.681 1005 HA ASN 93 HA ASN 93 10.213 3.654 -9.864 1006 1HB ASN 93 1HB ASN 93 9.541 1.336 -9.811 1007 2HB ASN 93 2HB ASN 93 7.962 1.726 -10.480 1008 1HD2 ASN 93 1HD2 ASN 93 11.380 1.472 -11.161 1009 2HD2 ASN 93 2HD2 ASN 93 11.214 1.338 -12.887 1010 H LYS 94 H LYS 94 6.886 3.383 -11.091 1011 HA LYS 94 HA LYS 94 7.432 5.382 -13.116 1012 1HB LYS 94 1HB LYS 94 4.932 3.811 -12.452 1013 2HB LYS 94 2HB LYS 94 5.084 4.908 -13.819 1014 1HG LYS 94 1HG LYS 94 6.725 3.528 -14.845 1015 2HG LYS 94 2HG LYS 94 6.861 2.519 -13.404 1016 1HD LYS 94 1HD LYS 94 4.593 1.723 -13.712 1017 2HD LYS 94 2HD LYS 94 4.379 2.797 -15.095 1018 1HE LYS 94 1HE LYS 94 4.853 0.468 -15.755 1019 2HE LYS 94 2HE LYS 94 6.067 1.606 -16.338 1020 1HZ LYS 94 1HZ LYS 94 6.340 -0.160 -13.962 1021 2HZ LYS 94 2HZ LYS 94 7.503 0.951 -14.500 1022 3HZ LYS 94 3HZ LYS 94 7.098 -0.383 -15.463 1023 H PHE 95 H PHE 95 5.663 5.045 -10.144 1024 HA PHE 95 HA PHE 95 4.440 7.658 -10.377 1025 1HB PHE 95 1HB PHE 95 4.315 5.543 -8.217 1026 2HB PHE 95 2HB PHE 95 3.430 7.066 -8.164 1027 HD1 PHE 95 HD1 PHE 95 1.401 7.332 -9.314 1028 HD2 PHE 95 HD2 PHE 95 3.823 3.916 -10.075 1029 HE1 PHE 95 HE1 PHE 95 -0.422 6.336 -10.629 1030 HE2 PHE 95 HE2 PHE 95 2.002 2.914 -11.389 1031 HZ PHE 95 HZ PHE 95 -0.122 4.125 -11.669 1032 H GLY 96 H GLY 96 7.040 8.035 -10.504 1033 1HA GLY 96 1HA GLY 96 8.026 8.770 -7.849 1034 2HA GLY 96 2HA GLY 96 8.937 8.837 -9.350 1035 HA PRO 97 HA PRO 97 8.381 13.129 -9.907 1036 1HB PRO 97 1HB PRO 97 7.139 13.366 -12.370 1037 2HB PRO 97 2HB PRO 97 8.872 13.122 -12.126 1038 1HG PRO 97 1HG PRO 97 6.747 11.121 -12.774 1039 2HG PRO 97 2HG PRO 97 8.405 11.242 -13.397 1040 1HD PRO 97 1HD PRO 97 7.756 9.449 -11.523 1041 2HD PRO 97 2HD PRO 97 9.321 10.288 -11.488 1042 H MET 98 H MET 98 5.423 11.489 -11.054 1043 HA MET 98 HA MET 98 3.741 13.694 -10.596 1044 1HB MET 98 1HB MET 98 1.869 12.037 -10.769 1045 2HB MET 98 2HB MET 98 2.991 12.036 -12.114 1046 1HG MET 98 1HG MET 98 2.521 9.801 -11.701 1047 2HG MET 98 2HG MET 98 4.116 10.083 -11.020 1048 1HE MET 98 1HE MET 98 0.283 9.779 -8.458 1049 2HE MET 98 2HE MET 98 0.286 9.657 -10.218 1050 3HE MET 98 3HE MET 98 0.681 11.190 -9.440 1051 H TYR 99 H TYR 99 4.918 11.215 -8.498 1052 HA TYR 99 HA TYR 99 2.960 11.450 -6.455 1053 1HB TYR 99 1HB TYR 99 5.090 9.771 -7.001 1054 2HB TYR 99 2HB TYR 99 5.629 10.648 -5.575 1055 HD1 TYR 99 HD1 TYR 99 4.457 10.398 -3.446 1056 HD2 TYR 99 HD2 TYR 99 3.237 8.236 -6.901 1057 HE1 TYR 99 HE1 TYR 99 3.139 8.881 -2.029 1058 HE2 TYR 99 HE2 TYR 99 1.915 6.722 -5.496 1059 HH TYR 99 HH TYR 99 1.924 5.945 -3.154 1060 H LYS 100 H LYS 100 6.324 12.598 -6.664 1061 HA LYS 100 HA LYS 100 6.208 14.185 -4.332 1062 1HB LYS 100 1HB LYS 100 8.271 15.254 -5.217 1063 2HB LYS 100 2HB LYS 100 8.344 13.497 -5.204 1064 1HG LYS 100 1HG LYS 100 7.900 13.433 -7.586 1065 2HG LYS 100 2HG LYS 100 7.736 15.189 -7.618 1066 1HD LYS 100 1HD LYS 100 10.233 13.696 -6.826 1067 2HD LYS 100 2HD LYS 100 9.941 14.418 -8.410 1068 1HE LYS 100 1HE LYS 100 9.802 16.620 -7.422 1069 2HE LYS 100 2HE LYS 100 9.967 15.936 -5.804 1070 1HZ LYS 100 1HZ LYS 100 12.173 15.123 -6.444 1071 2HZ LYS 100 2HZ LYS 100 12.063 16.814 -6.536 1072 3HZ LYS 100 3HZ LYS 100 12.017 15.881 -7.954 1073 H ARG 101 H ARG 101 5.359 14.782 -7.656 1074 HA ARG 101 HA ARG 101 5.213 17.588 -7.591 1075 1HB ARG 101 1HB ARG 101 5.119 16.069 -9.618 1076 2HB ARG 101 2HB ARG 101 3.445 15.745 -9.200 1077 1HG ARG 101 1HG ARG 101 2.902 18.100 -9.485 1078 2HG ARG 101 2HG ARG 101 4.592 18.446 -9.873 1079 1HD ARG 101 1HD ARG 101 4.374 16.767 -11.743 1080 2HD ARG 101 2HD ARG 101 2.642 16.764 -11.428 1081 HE ARG 101 HE ARG 101 3.620 19.408 -11.823 1082 1HH1 ARG 101 1HH1 ARG 101 2.733 16.468 -13.513 1083 2HH1 ARG 101 2HH1 ARG 101 2.374 17.285 -15.004 1084 1HH2 ARG 101 1HH2 ARG 101 3.148 20.484 -13.801 1085 2HH2 ARG 101 2HH2 ARG 101 2.610 19.552 -15.171 1086 H ASP 102 H ASP 102 2.746 15.091 -7.019 1087 HA ASP 102 HA ASP 102 0.619 16.821 -6.396 1088 1HB ASP 102 1HB ASP 102 0.474 14.328 -6.841 1089 2HB ASP 102 2HB ASP 102 1.063 14.077 -5.201 1090 H ARG 103 H ARG 103 3.049 15.253 -4.376 1091 HA ARG 103 HA ARG 103 2.267 16.166 -1.868 1092 1HB ARG 103 1HB ARG 103 3.966 14.486 -2.073 1093 2HB ARG 103 2HB ARG 103 5.000 15.560 -3.000 1094 1HG ARG 103 1HG ARG 103 5.850 15.337 -0.760 1095 2HG ARG 103 2HG ARG 103 5.270 16.978 -1.013 1096 1HD ARG 103 1HD ARG 103 3.216 16.466 0.157 1097 2HD ARG 103 2HD ARG 103 3.728 14.791 0.357 1098 HE ARG 103 HE ARG 103 5.510 16.791 1.478 1099 1HH1 ARG 103 1HH1 ARG 103 2.922 14.497 1.994 1100 2HH1 ARG 103 2HH1 ARG 103 3.105 14.478 3.729 1101 1HH2 ARG 103 1HH2 ARG 103 5.751 16.790 3.765 1102 2HH2 ARG 103 2HH2 ARG 103 4.691 15.800 4.729 1103 H ALA 104 H ALA 104 4.485 17.673 -4.202 1104 HA ALA 104 HA ALA 104 5.183 19.883 -2.620 1105 1HB ALA 104 1HB ALA 104 5.132 19.682 -5.627 1106 2HB ALA 104 2HB ALA 104 6.464 19.186 -4.581 1107 3HB ALA 104 3HB ALA 104 6.005 20.887 -4.680 1108 H LEU 105 H LEU 105 2.532 19.390 -4.891 1109 HA LEU 105 HA LEU 105 1.681 22.124 -4.831 1110 1HB LEU 105 1HB LEU 105 0.223 19.657 -5.740 1111 2HB LEU 105 2HB LEU 105 -0.292 21.304 -6.042 1112 HG LEU 105 HG LEU 105 2.221 20.017 -7.112 1113 1HD1 LEU 105 1HD1 LEU 105 -0.334 20.824 -8.491 1114 2HD1 LEU 105 2HD1 LEU 105 0.197 19.173 -8.170 1115 3HD1 LEU 105 3HD1 LEU 105 1.114 20.194 -9.279 1116 1HD2 LEU 105 1HD2 LEU 105 1.070 22.762 -7.599 1117 2HD2 LEU 105 2HD2 LEU 105 2.476 22.070 -8.408 1118 3HD2 LEU 105 3HD2 LEU 105 2.527 22.397 -6.675 1119 H LYS 106 H LYS 106 0.847 19.203 -3.092 1120 HA LYS 106 HA LYS 106 -1.553 20.163 -1.927 1121 1HB LYS 106 1HB LYS 106 -0.984 17.770 -2.039 1122 2HB LYS 106 2HB LYS 106 0.342 18.035 -0.917 1123 1HG LYS 106 1HG LYS 106 -1.180 18.591 0.849 1124 2HG LYS 106 2HG LYS 106 -2.550 18.552 -0.263 1125 1HD LYS 106 1HD LYS 106 -2.200 16.173 -0.634 1126 2HD LYS 106 2HD LYS 106 -0.793 16.200 0.429 1127 1HE LYS 106 1HE LYS 106 -2.809 15.316 1.543 1128 2HE LYS 106 2HE LYS 106 -2.181 16.767 2.322 1129 1HZ LYS 106 1HZ LYS 106 -3.899 18.068 1.403 1130 2HZ LYS 106 2HZ LYS 106 -4.656 16.678 2.013 1131 3HZ LYS 106 3HZ LYS 106 -4.389 16.837 0.345 1132 H GLN 107 H GLN 107 1.788 20.614 -1.216 1133 HA GLN 107 HA GLN 107 1.132 21.862 1.357 1134 1HB GLN 107 1HB GLN 107 3.799 21.061 0.184 1135 2HB GLN 107 2HB GLN 107 3.597 21.878 1.728 1136 1HG GLN 107 1HG GLN 107 2.617 19.130 0.989 1137 2HG GLN 107 2HG GLN 107 3.912 19.538 2.114 1138 1HE2 GLN 107 1HE2 GLN 107 1.471 18.009 2.557 1139 2HE2 GLN 107 2HE2 GLN 107 0.629 18.806 3.838 1140 H GLN 108 H GLN 108 3.472 22.544 -1.227 1141 HA GLN 108 HA GLN 108 4.162 24.437 -2.241 1142 1HB GLN 108 1HB GLN 108 1.273 25.057 -1.753 1143 2HB GLN 108 2HB GLN 108 2.325 26.203 -2.570 1144 1HG GLN 108 1HG GLN 108 2.799 24.519 -4.285 1145 2HG GLN 108 2HG GLN 108 1.710 23.393 -3.471 1146 1HE2 GLN 108 1HE2 GLN 108 -0.136 25.545 -2.730 1147 2HE2 GLN 108 2HE2 GLN 108 -0.999 25.949 -4.174 1148 H LYS 109 H LYS 109 4.075 26.981 -2.024 1149 HA LYS 109 HA LYS 109 4.153 27.735 0.809 1150 1HB LYS 109 1HB LYS 109 6.007 29.283 0.307 1151 2HB LYS 109 2HB LYS 109 6.445 27.609 0.013 1152 1HG LYS 109 1HG LYS 109 5.469 29.268 -2.258 1153 2HG LYS 109 2HG LYS 109 7.118 29.480 -1.673 1154 1HD LYS 109 1HD LYS 109 6.112 26.728 -2.251 1155 2HD LYS 109 2HD LYS 109 6.583 27.771 -3.592 1156 1HE LYS 109 1HE LYS 109 8.440 26.358 -2.915 1157 2HE LYS 109 2HE LYS 109 8.803 28.051 -2.593 1158 1HZ LYS 109 1HZ LYS 109 7.795 26.170 -0.525 1159 2HZ LYS 109 2HZ LYS 109 8.431 27.726 -0.284 1160 3HZ LYS 109 3HZ LYS 109 9.441 26.468 -0.798 1161 H LYS 110 H LYS 110 3.173 29.645 1.316 1162 HA LYS 110 HA LYS 110 1.361 30.640 -0.715 1163 1HB LYS 110 1HB LYS 110 1.601 31.013 2.251 1164 2HB LYS 110 2HB LYS 110 0.605 32.109 1.305 1165 1HG LYS 110 1HG LYS 110 -0.744 30.344 2.259 1166 2HG LYS 110 2HG LYS 110 -0.717 30.210 0.502 1167 1HD LYS 110 1HD LYS 110 1.036 28.470 0.708 1168 2HD LYS 110 2HD LYS 110 0.881 28.564 2.463 1169 1HE LYS 110 1HE LYS 110 -1.331 27.829 0.549 1170 2HE LYS 110 2HE LYS 110 -0.387 26.685 1.501 1171 1HZ LYS 110 1HZ LYS 110 -2.489 27.146 2.562 1172 2HZ LYS 110 2HZ LYS 110 -2.159 28.807 2.584 1173 3HZ LYS 110 3HZ LYS 110 -1.221 27.748 3.518 1174 H ALA 111 H ALA 111 3.921 31.940 1.356 1175 HA ALA 111 HA ALA 111 3.922 34.371 -0.280 1176 1HB ALA 111 1HB ALA 111 3.765 34.697 2.145 1177 2HB ALA 111 2HB ALA 111 5.256 35.378 1.495 1178 3HB ALA 111 3HB ALA 111 5.291 33.839 2.357 Start of MODEL 5 1 1H5* G 1 1H5* G 1 30.312 1.654 -2.337 2 2H5* G 1 2H5* G 1 29.581 0.042 -2.409 3 H4* G 1 H4* G 1 29.902 1.189 -0.132 4 H3* G 1 H3* G 1 28.292 -0.853 -0.768 5 H1* G 1 H1* G 1 26.720 2.337 0.852 6 H8 G 1 H8 G 1 25.963 1.889 -2.903 7 H1 G 1 H1 G 1 23.419 7.106 -0.156 8 1H2 G 1 1H2 G 1 24.115 7.280 1.930 9 2H2 G 1 2H2 G 1 25.208 6.117 2.649 10 H5T G 1 H5T G 1 28.066 2.423 -2.680 11 1H2* G 1 1H2* G 1 26.353 0.377 -1.447 12 2H2* G 1 2H2* G 1 25.996 0.152 0.259 13 1H5* G 2 1H5* G 2 27.556 1.595 3.366 14 2H5* G 2 2H5* G 2 27.266 0.300 4.547 15 H4* G 2 H4* G 2 26.025 2.275 5.147 16 H3* G 2 H3* G 2 24.872 -0.198 5.112 17 H1* G 2 H1* G 2 23.147 2.942 3.808 18 H8 G 2 H8 G 2 24.267 0.742 0.804 19 H1 G 2 H1 G 2 20.204 5.539 -0.518 20 1H2 G 2 1H2 G 2 19.748 6.663 1.335 21 2H2 G 2 2H2 G 2 20.441 6.230 2.881 22 1H2* G 2 1H2* G 2 23.701 0.031 3.031 23 2H2* G 2 2H2* G 2 22.486 0.633 4.152 24 1H5* C 3 1H5* C 3 22.736 3.144 8.131 25 2H5* C 3 2H5* C 3 21.749 2.127 9.201 26 H4* C 3 H4* C 3 20.862 4.427 8.686 27 H3* C 3 H3* C 3 19.415 2.255 9.299 28 H1* C 3 H1* C 3 18.562 4.251 6.056 29 1H4 C 3 1H4 C 3 19.517 1.508 0.430 30 2H4 C 3 2H4 C 3 20.568 0.294 1.121 31 H5 C 3 H5 C 3 21.091 0.198 3.484 32 H6 C 3 H6 C 3 20.732 1.255 5.651 33 1H2* C 3 1H2* C 3 19.015 1.425 7.092 34 2H2* C 3 2H2* C 3 17.606 2.456 7.292 35 1H5* T 4 1H5* T 4 17.443 6.239 8.124 36 2H5* T 4 2H5* T 4 16.105 6.620 9.228 37 H4* T 4 H4* T 4 15.789 7.705 7.097 38 H3* T 4 H3* T 4 13.785 6.346 8.347 39 1H2* T 4 1H2* T 4 13.852 4.352 7.029 40 2H2* T 4 2H2* T 4 12.728 5.312 6.075 41 H1* T 4 H1* T 4 14.452 6.077 4.573 42 H3 T 4 H3 T 4 15.064 2.591 1.869 43 1H5M T 4 1H5M T 4 16.131 0.748 6.729 44 2H5M T 4 2H5M T 4 16.494 -0.159 5.241 45 3H5M T 4 3H5M T 4 17.690 0.981 5.902 46 H6 T 4 H6 T 4 15.868 3.253 6.522 47 1H5* C 5 1H5* C 5 12.955 8.557 4.873 48 2H5* C 5 2H5* C 5 11.797 9.885 4.646 49 H4* C 5 H4* C 5 11.639 8.804 2.648 50 H3* C 5 H3* C 5 9.388 8.419 4.273 51 H1* C 5 H1* C 5 10.995 5.979 1.800 52 1H4 C 5 1H4 C 5 12.590 0.110 3.566 53 2H4 C 5 2H4 C 5 12.638 0.556 5.257 54 H5 C 5 H5 C 5 12.136 2.790 6.042 55 H6 C 5 H6 C 5 11.483 5.041 5.369 56 1H2* C 5 1H2* C 5 9.567 6.071 4.509 57 2H2* C 5 2H2* C 5 8.847 6.095 2.907 58 1H5* A 6 1H5* A 6 8.329 7.775 -1.216 59 2H5* A 6 2H5* A 6 6.803 8.470 -0.630 60 H4* A 6 H4* A 6 6.590 6.687 -2.368 61 H3* A 6 H3* A 6 4.853 7.199 -0.356 62 H1* A 6 H1* A 6 6.113 3.555 -1.023 63 H8 A 6 H8 A 6 7.345 5.154 2.272 64 1H6 A 6 1H6 A 6 9.987 -0.333 3.358 65 2H6 A 6 2H6 A 6 9.634 1.250 4.013 66 H2 A 6 H2 A 6 8.235 -0.428 -0.775 67 1H2* A 6 1H2* A 6 5.527 5.538 1.207 68 2H2* A 6 2H2* A 6 4.403 4.577 0.254 69 1H5* G 7 1H5* G 7 4.108 4.466 -3.555 70 2H5* G 7 2H5* G 7 2.609 4.153 -4.460 71 H4* G 7 H4* G 7 3.846 2.132 -4.350 72 H3* G 7 H3* G 7 1.230 2.242 -3.311 73 H1* G 7 H1* G 7 4.236 0.178 -2.126 74 H8 G 7 H8 G 7 3.437 2.957 0.463 75 H1 G 7 H1 G 7 6.571 -2.185 2.693 76 1H2 G 7 1H2 G 7 6.860 -3.648 1.075 77 2H2 G 7 2H2 G 7 6.279 -3.367 -0.551 78 1H2* G 7 1H2* G 7 1.746 1.627 -1.091 79 2H2* G 7 2H2* G 7 1.856 0.018 -1.792 80 1H5* G 8 1H5* G 8 3.455 -1.290 -4.887 81 2H5* G 8 2H5* G 8 2.485 -1.819 -6.279 82 H4* G 8 H4* G 8 3.911 -3.597 -5.929 83 H3* G 8 H3* G 8 1.324 -4.205 -5.651 84 H1* G 8 H1* G 8 3.750 -5.180 -2.637 85 H8 G 8 H8 G 8 2.167 -1.643 -2.471 86 H1 G 8 H1 G 8 3.682 -4.289 3.177 87 1H2 G 8 1H2 G 8 4.447 -6.330 2.874 88 2H2 G 8 2H2 G 8 4.589 -7.049 1.287 89 1H2* G 8 1H2* G 8 1.038 -4.050 -3.308 90 2H2* G 8 2H2* G 8 1.610 -5.712 -3.375 91 1H5* G 9 1H5* G 9 3.544 -6.560 -3.463 92 2H5* G 9 2H5* G 9 4.079 -8.051 -4.262 93 H4* G 9 H4* G 9 4.270 -8.790 -2.172 94 H3* G 9 H3* G 9 1.849 -9.715 -3.155 95 H1* G 9 H1* G 9 2.479 -8.402 0.439 96 H8 G 9 H8 G 9 0.344 -5.976 -1.708 97 H1 G 9 H1 G 9 0.389 -4.853 4.617 98 1H2 G 9 1H2 G 9 1.622 -6.365 5.643 99 2H2 G 9 2H2 G 9 2.439 -7.646 4.775 100 1H2* G 9 1H2* G 9 0.389 -8.450 -1.789 101 2H2* G 9 2H2* G 9 0.779 -9.706 -0.623 102 1H5* C 10 1H5* C 10 3.310 -11.521 0.953 103 2H5* C 10 2H5* C 10 3.125 -13.282 0.812 104 H4* C 10 H4* C 10 2.632 -12.702 3.041 105 H3* C 10 H3* C 10 0.756 -14.083 1.584 106 H1* C 10 H1* C 10 -0.061 -11.242 4.045 107 1H4 C 10 1H4 C 10 -2.933 -5.932 2.147 108 2H4 C 10 2H4 C 10 -3.016 -6.492 0.491 109 H5 C 10 H5 C 10 -2.057 -8.597 -0.235 110 H6 C 10 H6 C 10 -0.847 -10.588 0.485 111 1H2* C 10 1H2* C 10 -0.806 -12.310 1.275 112 2H2* C 10 2H2* C 10 -1.344 -12.893 2.845 113 1H5* C 11 1H5* C 11 0.738 -13.146 5.811 114 2H5* C 11 2H5* C 11 1.127 -14.681 6.613 115 H4* C 11 H4* C 11 0.539 -13.486 8.426 116 H3* C 11 H3* C 11 -1.403 -15.280 7.848 117 H1* C 11 H1* C 11 -2.401 -11.480 8.489 118 1H4 C 11 1H4 C 11 -4.865 -8.645 3.402 119 2H4 C 11 2H4 C 11 -4.368 -9.948 2.344 120 H5 C 11 H5 C 11 -3.135 -11.886 3.136 121 H6 C 11 H6 C 11 -2.149 -12.951 5.089 122 1H2* C 11 1H2* C 11 -3.042 -13.922 6.841 123 2H2* C 11 2H2* C 11 -3.447 -13.556 8.513 124 1H5* A 12 1H5* A 12 -2.251 -11.795 10.495 125 2H5* A 12 2H5* A 12 -1.764 -12.646 11.975 126 H4* A 12 H4* A 12 -2.847 -10.904 12.912 127 H3* A 12 H3* A 12 -4.288 -13.113 13.275 128 H1* A 12 H1* A 12 -6.136 -10.017 11.631 129 H8 A 12 H8 A 12 -4.800 -12.743 9.206 130 1H6 A 12 1H6 A 12 -8.305 -9.926 4.959 131 2H6 A 12 2H6 A 12 -7.226 -11.267 5.276 132 H2 A 12 H2 A 12 -8.649 -7.622 8.804 133 1H2* A 12 1H2* A 12 -5.744 -13.006 11.391 134 2H2* A 12 2H2* A 12 -6.710 -12.098 12.547 135 1H5* C 13 1H5* C 13 -6.252 -9.419 13.631 136 2H5* C 13 2H5* C 13 -6.919 -8.938 15.204 137 H4* C 13 H4* C 13 -8.243 -7.838 13.658 138 H3* C 13 H3* C 13 -9.521 -9.848 15.164 139 H1* C 13 H1* C 13 -10.165 -8.742 11.536 140 1H4 C 13 1H4 C 13 -10.404 -13.086 6.933 141 2H4 C 13 2H4 C 13 -9.487 -14.239 7.877 142 H5 C 13 H5 C 13 -8.700 -13.775 10.123 143 H6 C 13 H6 C 13 -8.652 -12.118 11.914 144 1H2* C 13 1H2* C 13 -10.239 -11.192 13.365 145 2H2* C 13 2H2* C 13 -11.451 -9.931 13.182 146 1H5* A 14 1H5* A 14 -11.675 -6.731 13.326 147 2H5* A 14 2H5* A 14 -12.357 -5.436 14.333 148 H4* A 14 H4* A 14 -13.850 -5.294 12.682 149 H3* A 14 H3* A 14 -15.018 -6.697 14.711 150 H1* A 14 H1* A 14 -15.365 -7.640 11.020 151 H8 A 14 H8 A 14 -13.103 -10.202 12.871 152 1H6 A 14 1H6 A 14 -13.590 -13.571 7.699 153 2H6 A 14 2H6 A 14 -12.937 -13.515 9.322 154 H2 A 14 H2 A 14 -15.803 -9.718 7.068 155 1H2* A 14 1H2* A 14 -14.791 -8.885 13.758 156 2H2* A 14 2H2* A 14 -16.348 -8.411 13.094 157 1H5* G 15 1H5* G 15 -17.120 -4.584 11.342 158 2H5* G 15 2H5* G 15 -18.712 -3.941 11.799 159 H4* G 15 H4* G 15 -18.461 -4.149 9.385 160 H3* G 15 H3* G 15 -20.730 -4.766 10.661 161 H1* G 15 H1* G 15 -19.229 -7.330 8.156 162 H8 G 15 H8 G 15 -18.040 -8.019 11.775 163 H1 G 15 H1 G 15 -17.796 -13.018 7.755 164 1H2 G 15 1H2 G 15 -18.579 -12.442 5.778 165 2H2 G 15 2H2 G 15 -19.166 -10.829 5.439 166 H3T G 15 H3T G 15 -21.595 -5.078 8.519 167 1H2* G 15 1H2* G 15 -20.329 -7.106 10.991 168 2H2* G 15 2H2* G 15 -21.221 -7.138 9.476 169 1H5* C 16 1H5* C 16 -19.404 -20.035 4.313 170 2H5* C 16 2H5* C 16 -19.294 -20.533 2.615 171 H4* C 16 H4* C 16 -19.669 -18.336 2.327 172 H3* C 16 H3* C 16 -17.017 -18.954 1.822 173 H1* C 16 H1* C 16 -18.305 -15.771 3.543 174 1H4 C 16 1H4 C 16 -16.210 -14.144 9.299 175 2H4 C 16 2H4 C 16 -15.602 -15.753 9.609 176 H5 C 16 H5 C 16 -15.802 -17.563 8.015 177 H6 C 16 H6 C 16 -16.604 -18.191 5.800 178 H5T C 16 H5T C 16 -16.935 -20.105 2.927 179 1H2* C 16 1H2* C 16 -16.052 -17.840 3.683 180 2H2* C 16 2H2* C 16 -16.197 -16.465 2.597 181 1H5* T 17 1H5* T 17 -19.230 -14.678 0.790 182 2H5* T 17 2H5* T 17 -18.566 -14.504 -0.849 183 H4* T 17 H4* T 17 -19.190 -12.355 0.086 184 H3* T 17 H3* T 17 -16.868 -12.751 -1.247 185 1H2* T 17 1H2* T 17 -15.364 -12.967 0.579 186 2H2* T 17 2H2* T 17 -15.353 -11.215 0.428 187 H1* T 17 H1* T 17 -16.868 -10.891 2.213 188 H3 T 17 H3 T 17 -15.125 -12.090 6.144 189 1H5M T 17 1H5M T 17 -14.908 -16.592 3.925 190 2H5M T 17 2H5M T 17 -13.314 -15.940 4.370 191 3H5M T 17 3H5M T 17 -13.833 -15.935 2.669 192 H6 T 17 H6 T 17 -15.554 -14.333 1.958 193 1H5* G 18 1H5* G 18 -17.676 -9.126 0.471 194 2H5* G 18 2H5* G 18 -17.875 -7.536 -0.294 195 H4* G 18 H4* G 18 -16.984 -6.886 1.670 196 H3* G 18 H3* G 18 -15.036 -6.830 -0.361 197 H1* G 18 H1* G 18 -14.692 -7.565 3.338 198 H8 G 18 H8 G 18 -13.958 -10.843 1.376 199 H1 G 18 H1 G 18 -11.703 -10.537 7.384 200 1H2 G 18 1H2 G 18 -12.227 -8.591 8.284 201 2H2 G 18 2H2 G 18 -13.130 -7.373 7.411 202 1H2* G 18 1H2* G 18 -13.575 -8.422 0.614 203 2H2* G 18 2H2* G 18 -13.101 -7.029 1.577 204 1H5* T 19 1H5* T 19 -15.387 -4.836 3.414 205 2H5* T 19 2H5* T 19 -15.507 -3.083 3.149 206 H4* T 19 H4* T 19 -15.279 -3.343 5.456 207 H3* T 19 H3* T 19 -13.393 -1.853 4.198 208 1H2* T 19 1H2* T 19 -11.602 -3.411 4.142 209 2H2* T 19 2H2* T 19 -11.328 -2.744 5.748 210 H1* T 19 H1* T 19 -12.385 -4.545 6.853 211 H3 T 19 H3 T 19 -9.501 -7.902 6.443 212 1H5M T 19 1H5M T 19 -9.902 -7.936 1.826 213 2H5M T 19 2H5M T 19 -11.608 -8.421 1.976 214 3H5M T 19 3H5M T 19 -11.194 -6.761 1.481 215 H6 T 19 H6 T 19 -12.274 -5.620 3.304 216 1H5* G 20 1H5* G 20 -11.715 -2.892 8.142 217 2H5* G 20 2H5* G 20 -11.797 -1.375 9.061 218 H4* G 20 H4* G 20 -9.801 -2.021 9.807 219 H3* G 20 H3* G 20 -9.367 -0.270 7.638 220 H1* G 20 H1* G 20 -7.366 -3.406 8.685 221 H8 G 20 H8 G 20 -8.984 -3.687 5.165 222 H1 G 20 H1 G 20 -4.758 -8.266 6.706 223 1H2 G 20 1H2 G 20 -3.999 -7.946 8.742 224 2H2 G 20 2H2 G 20 -4.525 -6.607 9.737 225 1H2* G 20 1H2* G 20 -8.177 -1.750 6.248 226 2H2* G 20 2H2* G 20 -6.868 -1.459 7.385 227 1H5* G 21 1H5* G 21 -6.606 -3.032 9.557 228 2H5* G 21 2H5* G 21 -6.908 -1.866 10.859 229 H4* G 21 H4* G 21 -5.361 -3.073 11.928 230 H3* G 21 H3* G 21 -4.170 -0.812 11.192 231 H1* G 21 H1* G 21 -2.448 -4.204 9.874 232 H8 G 21 H8 G 21 -4.716 -2.064 7.582 233 H1 G 21 H1 G 21 -1.894 -7.129 4.826 234 1H2 G 21 1H2 G 21 -0.764 -8.276 6.334 235 2H2 G 21 2H2 G 21 -0.701 -7.795 8.015 236 1H2* G 21 1H2* G 21 -3.179 -1.397 9.126 237 2H2* G 21 2H2* G 21 -1.893 -1.979 10.174 238 1H5* C 22 1H5* C 22 -1.879 -4.390 12.337 239 2H5* C 22 2H5* C 22 -0.840 -4.102 13.748 240 H4* C 22 H4* C 22 0.127 -5.902 12.634 241 H3* C 22 H3* C 22 1.681 -3.703 12.972 242 H1* C 22 H1* C 22 1.585 -5.628 9.614 243 1H4 C 22 1H4 C 22 -0.593 -2.817 4.385 244 2H4 C 22 2H4 C 22 -1.172 -1.434 5.285 245 H5 C 22 H5 C 22 -1.002 -1.268 7.690 246 H6 C 22 H6 C 22 -0.208 -2.374 9.714 247 1H2* C 22 1H2* C 22 1.523 -2.801 10.767 248 2H2* C 22 2H2* C 22 2.906 -3.865 10.556 249 1H5* C 23 1H5* C 23 2.451 -7.209 9.840 250 2H5* C 23 2H5* C 23 3.546 -7.914 11.047 251 H4* C 23 H4* C 23 4.169 -8.973 9.100 252 H3* C 23 H3* C 23 6.122 -7.502 10.192 253 H1* C 23 H1* C 23 5.349 -7.041 6.380 254 1H4 C 23 1H4 C 23 2.785 -1.609 4.436 255 2H4 C 23 2H4 C 23 2.470 -1.076 6.073 256 H5 C 23 H5 C 23 3.006 -2.433 8.022 257 H6 C 23 H6 C 23 3.949 -4.553 8.774 258 1H2* C 23 1H2* C 23 5.864 -5.486 8.939 259 2H2* C 23 2H2* C 23 7.010 -6.333 7.909 260 1H5* C 24 1H5* C 24 6.221 -9.042 5.332 261 2H5* C 24 2H5* C 24 7.365 -10.208 6.031 262 H4* C 24 H4* C 24 7.874 -10.136 3.757 263 H3* C 24 H3* C 24 9.883 -9.557 5.426 264 H1* C 24 H1* C 24 9.081 -6.876 2.559 265 1H4 C 24 1H4 C 24 6.158 -1.680 4.743 266 2H4 C 24 2H4 C 24 6.503 -2.135 6.396 267 H5 C 24 H5 C 24 7.582 -4.213 6.991 268 H6 C 24 H6 C 24 8.537 -6.284 6.132 269 1H2* C 24 1H2* C 24 9.867 -7.198 5.442 270 2H2* C 24 2H2* C 24 10.828 -7.409 3.985 271 1H5* T 25 1H5* T 25 9.058 -8.887 0.999 272 2H5* T 25 2H5* T 25 10.442 -9.631 0.168 273 H4* T 25 H4* T 25 9.281 -8.099 -1.297 274 H3* T 25 H3* T 25 11.977 -8.127 -1.102 275 1H2* T 25 1H2* T 25 12.235 -6.295 0.422 276 2H2* T 25 2H2* T 25 12.329 -5.447 -1.115 277 H1* T 25 H1* T 25 10.004 -4.820 -1.062 278 H3 T 25 H3 T 25 9.384 -1.585 1.921 279 1H5M T 25 1H5M T 25 11.170 -5.516 4.863 280 2H5M T 25 2H5M T 25 12.695 -4.746 4.364 281 3H5M T 25 3H5M T 25 11.492 -3.820 5.292 282 H6 T 25 H6 T 25 11.392 -5.901 2.201 283 1H5* G 26 1H5* G 26 10.035 -5.856 -4.430 284 2H5* G 26 2H5* G 26 10.729 -5.947 -6.063 285 H4* G 26 H4* G 26 9.876 -3.785 -5.879 286 H3* G 26 H3* G 26 12.581 -4.045 -6.321 287 H1* G 26 H1* G 26 10.970 -1.425 -4.050 288 H8 G 26 H8 G 26 12.450 -4.235 -1.822 289 H1 G 26 H1 G 26 11.682 1.492 0.971 290 1H2 G 26 1H2 G 26 10.923 2.949 -0.500 291 2H2 G 26 2H2 G 26 10.611 2.517 -2.167 292 1H2* G 26 1H2* G 26 13.333 -3.371 -4.163 293 2H2* G 26 2H2* G 26 13.199 -1.794 -4.928 294 1H5* A 27 1H5* A 27 11.103 0.460 -5.123 295 2H5* A 27 2H5* A 27 10.697 0.350 -6.848 296 H4* A 27 H4* A 27 10.862 2.570 -6.771 297 H3* A 27 H3* A 27 13.121 1.686 -7.898 298 H1* A 27 H1* A 27 13.610 3.874 -4.493 299 H8 A 27 H8 A 27 14.175 0.087 -4.846 300 1H6 A 27 1H6 A 27 15.400 0.194 1.220 301 2H6 A 27 2H6 A 27 15.393 -0.788 -0.230 302 H2 A 27 H2 A 27 13.953 4.267 0.020 303 1H2* A 27 1H2* A 27 14.697 1.695 -6.172 304 2H2* A 27 2H2* A 27 14.736 3.432 -6.431 305 1H5* G 28 1H5* G 28 12.508 4.801 -5.824 306 2H5* G 28 2H5* G 28 12.096 6.342 -6.605 307 H4* G 28 H4* G 28 12.362 6.986 -4.438 308 H3* G 28 H3* G 28 14.316 7.970 -6.082 309 H1* G 28 H1* G 28 14.950 6.671 -2.533 310 H8 G 28 H8 G 28 16.204 4.073 -5.136 311 H1 G 28 H1 G 28 18.368 3.346 0.869 312 1H2 G 28 1H2 G 28 17.547 4.929 2.163 313 2H2 G 28 2H2 G 28 16.463 6.163 1.556 314 1H2* G 28 1H2* G 28 16.096 6.543 -5.368 315 2H2* G 28 2H2* G 28 16.260 7.841 -4.193 316 1H5* C 29 1H5* C 29 13.584 9.974 -2.178 317 2H5* C 29 2H5* C 29 13.640 11.735 -1.960 318 H4* C 29 H4* C 29 14.793 10.795 -0.143 319 H3* C 29 H3* C 29 16.164 12.532 -1.840 320 H1* C 29 H1* C 29 17.567 9.428 -0.066 321 1H4 C 29 1H4 C 29 20.399 4.797 -3.322 322 2H4 C 29 2H4 C 29 19.800 5.407 -4.848 323 H5 C 29 H5 C 29 18.399 7.371 -5.022 324 H6 C 29 H6 C 29 17.298 9.155 -3.775 325 1H2* C 29 1H2* C 29 17.754 10.996 -2.687 326 2H2* C 29 2H2* C 29 18.542 11.341 -1.153 327 1H5* C 30 1H5* C 30 18.324 11.223 2.202 328 2H5* C 30 2H5* C 30 18.091 12.805 2.974 329 H4* C 30 H4* C 30 19.922 12.056 4.087 330 H3* C 30 H3* C 30 20.521 14.164 2.553 331 H1* C 30 H1* C 30 22.788 10.935 2.230 332 1H4 C 30 1H4 C 30 22.094 7.566 -3.089 333 2H4 C 30 2H4 C 30 21.006 8.756 -3.768 334 H5 C 30 H5 C 30 20.278 10.722 -2.548 335 H6 C 30 H6 C 30 20.449 11.932 -0.438 336 H3T C 30 H3T C 30 21.823 12.678 4.462 337 1H2* C 30 1H2* C 30 21.395 13.091 0.627 338 2H2* C 30 2H2* C 30 22.873 13.188 1.572 339 1H ASP 10 1H ASP 10 -3.670 13.498 8.810 340 HA ASP 10 HA ASP 10 -5.699 12.937 9.623 341 1HB ASP 10 1HB ASP 10 -5.045 14.751 11.187 342 2HB ASP 10 2HB ASP 10 -5.932 15.896 10.185 343 H GLU 11 H GLU 11 -6.546 12.314 7.603 344 HA GLU 11 HA GLU 11 -8.798 13.982 6.783 345 1HB GLU 11 1HB GLU 11 -6.746 12.847 4.870 346 2HB GLU 11 2HB GLU 11 -8.322 13.442 4.374 347 1HG GLU 11 1HG GLU 11 -7.766 15.645 5.233 348 2HG GLU 11 2HG GLU 11 -6.173 15.057 5.701 349 H LEU 12 H LEU 12 -10.464 12.787 5.705 350 HA LEU 12 HA LEU 12 -10.408 9.948 6.307 351 1HB LEU 12 1HB LEU 12 -12.616 11.843 5.542 352 2HB LEU 12 2HB LEU 12 -12.848 10.105 5.591 353 HG LEU 12 HG LEU 12 -12.051 10.220 8.000 354 1HD1 LEU 12 1HD1 LEU 12 -11.039 12.366 8.043 355 2HD1 LEU 12 2HD1 LEU 12 -12.427 12.381 9.132 356 3HD1 LEU 12 3HD1 LEU 12 -12.544 13.143 7.545 357 1HD2 LEU 12 1HD2 LEU 12 -14.371 9.823 7.398 358 2HD2 LEU 12 2HD2 LEU 12 -14.641 11.560 7.246 359 3HD2 LEU 12 3HD2 LEU 12 -14.271 10.860 8.822 360 H CYS 13 H CYS 13 -10.506 8.399 4.832 361 HA CYS 13 HA CYS 13 -9.506 8.837 2.245 362 1HB CYS 13 1HB CYS 13 -9.285 6.736 3.575 363 2HB CYS 13 2HB CYS 13 -10.996 6.430 3.323 364 HG CYS 13 HG CYS 13 -8.867 6.742 0.681 365 HA PRO 14 HA PRO 14 -13.321 10.306 0.438 366 1HB PRO 14 1HB PRO 14 -12.405 10.285 -2.152 367 2HB PRO 14 2HB PRO 14 -12.102 11.587 -0.998 368 1HG PRO 14 1HG PRO 14 -10.335 9.311 -1.796 369 2HG PRO 14 2HG PRO 14 -9.916 11.012 -1.519 370 1HD PRO 14 1HD PRO 14 -9.413 9.119 0.316 371 2HD PRO 14 2HD PRO 14 -9.898 10.763 0.782 372 H VAL 15 H VAL 15 -11.798 7.314 -0.086 373 HA VAL 15 HA VAL 15 -13.806 6.281 -1.893 374 HB VAL 15 HB VAL 15 -11.555 4.855 -0.462 375 1HG1 VAL 15 1HG1 VAL 15 -13.353 3.902 -2.687 376 2HG1 VAL 15 2HG1 VAL 15 -13.359 3.321 -1.022 377 3HG1 VAL 15 3HG1 VAL 15 -11.956 3.033 -2.051 378 1HG2 VAL 15 1HG2 VAL 15 -10.447 4.873 -2.644 379 2HG2 VAL 15 2HG2 VAL 15 -10.740 6.505 -2.045 380 3HG2 VAL 15 3HG2 VAL 15 -11.774 5.829 -3.303 381 H CYS 16 H CYS 16 -12.664 5.283 1.350 382 HA CYS 16 HA CYS 16 -15.116 3.747 1.661 383 1HB CYS 16 1HB CYS 16 -13.963 2.772 3.620 384 2HB CYS 16 2HB CYS 16 -13.032 2.615 2.134 385 HG CYS 16 HG CYS 16 -12.135 3.937 4.983 386 H GLY 17 H GLY 17 -13.920 6.775 2.632 387 1HA GLY 17 1HA GLY 17 -14.850 8.378 4.002 388 2HA GLY 17 2HA GLY 17 -16.207 7.292 4.264 389 H ASP 18 H ASP 18 -12.766 6.821 4.951 390 HA ASP 18 HA ASP 18 -13.321 6.860 7.824 391 1HB ASP 18 1HB ASP 18 -13.404 4.470 6.673 392 2HB ASP 18 2HB ASP 18 -11.652 4.614 6.763 393 H LYS 19 H LYS 19 -11.230 6.866 9.083 394 HA LYS 19 HA LYS 19 -9.648 8.987 8.161 395 1HB LYS 19 1HB LYS 19 -9.143 6.957 10.342 396 2HB LYS 19 2HB LYS 19 -8.120 8.359 10.065 397 1HG LYS 19 1HG LYS 19 -11.056 8.452 10.732 398 2HG LYS 19 2HG LYS 19 -9.735 8.718 11.871 399 1HD LYS 19 1HD LYS 19 -10.304 10.371 9.411 400 2HD LYS 19 2HD LYS 19 -10.678 10.834 11.072 401 1HE LYS 19 1HE LYS 19 -7.915 10.285 9.988 402 2HE LYS 19 2HE LYS 19 -8.611 11.885 10.240 403 1HZ LYS 19 1HZ LYS 19 -8.792 11.379 12.606 404 2HZ LYS 19 2HZ LYS 19 -7.187 11.280 12.072 405 3HZ LYS 19 3HZ LYS 19 -8.074 9.862 12.355 406 H VAL 20 H VAL 20 -7.773 9.135 7.076 407 HA VAL 20 HA VAL 20 -6.806 6.785 5.714 408 HB VAL 20 HB VAL 20 -5.257 8.301 4.564 409 1HG1 VAL 20 1HG1 VAL 20 -7.498 8.028 3.683 410 2HG1 VAL 20 2HG1 VAL 20 -6.928 9.676 3.417 411 3HG1 VAL 20 3HG1 VAL 20 -8.080 9.340 4.709 412 1HG2 VAL 20 1HG2 VAL 20 -5.391 10.737 4.963 413 2HG2 VAL 20 2HG2 VAL 20 -4.742 9.854 6.346 414 3HG2 VAL 20 3HG2 VAL 20 -6.412 10.426 6.370 415 H SER 21 H SER 21 -4.781 5.876 5.870 416 HA SER 21 HA SER 21 -3.463 6.245 8.432 417 1HB SER 21 1HB SER 21 -2.130 4.210 7.556 418 2HB SER 21 2HB SER 21 -3.830 3.970 7.959 419 HG SER 21 HG SER 21 -2.642 3.484 5.655 420 H GLY 22 H GLY 22 -3.161 7.279 5.230 421 1HA GLY 22 1HA GLY 22 -1.074 9.002 5.663 422 2HA GLY 22 2HA GLY 22 -0.318 7.509 5.128 423 H TYR 23 H TYR 23 0.445 8.729 3.342 424 HA TYR 23 HA TYR 23 -1.581 9.387 1.318 425 1HB TYR 23 1HB TYR 23 -0.169 11.262 1.992 426 2HB TYR 23 2HB TYR 23 1.280 10.323 1.668 427 HD1 TYR 23 HD1 TYR 23 -1.831 11.177 -0.242 428 HD2 TYR 23 HD2 TYR 23 2.417 11.030 -0.176 429 HE1 TYR 23 HE1 TYR 23 -1.767 12.072 -2.532 430 HE2 TYR 23 HE2 TYR 23 2.491 11.918 -2.463 431 HH TYR 23 HH TYR 23 0.030 13.435 -3.924 432 H HIS 24 H HIS 24 -1.835 7.834 -0.175 433 HA HIS 24 HA HIS 24 0.539 6.332 -1.054 434 1HB HIS 24 1HB HIS 24 -2.160 5.066 -0.538 435 2HB HIS 24 2HB HIS 24 -0.713 4.248 -1.102 436 HD1 HIS 24 HD1 HIS 24 1.392 4.828 0.855 437 HD2 HIS 24 HD2 HIS 24 -2.577 4.418 2.020 438 HE1 HIS 24 HE1 HIS 24 1.463 4.168 3.280 439 HE2 HIS 24 HE2 HIS 24 -0.940 3.661 3.876 440 H TYR 25 H TYR 25 0.446 5.526 -3.183 441 HA TYR 25 HA TYR 25 -0.088 5.442 -5.378 442 1HB TYR 25 1HB TYR 25 -2.872 5.966 -4.317 443 2HB TYR 25 2HB TYR 25 -2.530 5.712 -6.024 444 HD1 TYR 25 HD1 TYR 25 -2.900 3.596 -6.823 445 HD2 TYR 25 HD2 TYR 25 -1.750 4.056 -2.756 446 HE1 TYR 25 HE1 TYR 25 -3.086 1.166 -6.501 447 HE2 TYR 25 HE2 TYR 25 -1.932 1.630 -2.423 448 HH TYR 25 HH TYR 25 -2.279 -0.552 -5.040 449 H GLY 26 H GLY 26 -2.507 7.875 -4.622 450 1HA GLY 26 1HA GLY 26 -0.785 10.040 -5.469 451 2HA GLY 26 2HA GLY 26 -2.089 9.659 -6.585 452 H LEU 27 H LEU 27 -2.619 9.142 -3.211 453 HA LEU 27 HA LEU 27 -3.791 11.668 -2.641 454 1HB LEU 27 1HB LEU 27 -6.140 11.036 -2.642 455 2HB LEU 27 2HB LEU 27 -5.461 10.912 -4.253 456 HG LEU 27 HG LEU 27 -5.243 8.363 -2.979 457 1HD1 LEU 27 1HD1 LEU 27 -7.061 9.108 -1.533 458 2HD1 LEU 27 2HD1 LEU 27 -7.610 7.863 -2.656 459 3HD1 LEU 27 3HD1 LEU 27 -8.013 9.556 -2.949 460 1HD2 LEU 27 1HD2 LEU 27 -6.982 9.334 -5.246 461 2HD2 LEU 27 2HD2 LEU 27 -6.565 7.656 -4.897 462 3HD2 LEU 27 3HD2 LEU 27 -5.309 8.792 -5.392 463 H LEU 28 H LEU 28 -5.285 11.459 -0.643 464 HA LEU 28 HA LEU 28 -3.843 10.005 1.347 465 1HB LEU 28 1HB LEU 28 -6.359 11.660 1.440 466 2HB LEU 28 2HB LEU 28 -5.751 10.816 2.847 467 HG LEU 28 HG LEU 28 -5.065 13.104 2.980 468 1HD1 LEU 28 1HD1 LEU 28 -2.730 11.391 2.153 469 2HD1 LEU 28 2HD1 LEU 28 -3.458 11.453 3.759 470 3HD1 LEU 28 3HD1 LEU 28 -2.645 12.875 3.105 471 1HD2 LEU 28 1HD2 LEU 28 -5.247 13.712 0.631 472 2HD2 LEU 28 2HD2 LEU 28 -3.822 12.741 0.257 473 3HD2 LEU 28 3HD2 LEU 28 -3.671 14.172 1.278 474 H THR 29 H THR 29 -4.112 7.963 1.866 475 HA THR 29 HA THR 29 -6.709 6.688 1.424 476 HB THR 29 HB THR 29 -5.128 4.700 0.558 477 HG1 THR 29 HG1 THR 29 -3.928 7.035 -0.548 478 1HG2 THR 29 1HG2 THR 29 -7.114 5.541 -0.591 479 2HG2 THR 29 2HG2 THR 29 -5.782 5.317 -1.725 480 3HG2 THR 29 3HG2 THR 29 -6.202 6.936 -1.166 481 H CYS 30 H CYS 30 -7.048 4.800 2.594 482 HA CYS 30 HA CYS 30 -5.289 4.436 4.896 483 1HB CYS 30 1HB CYS 30 -7.228 3.002 5.703 484 2HB CYS 30 2HB CYS 30 -7.578 4.719 5.517 485 HG CYS 30 HG CYS 30 -9.782 4.096 4.328 486 H GLU 31 H GLU 31 -4.868 2.164 5.568 487 HA GLU 31 HA GLU 31 -3.665 0.692 3.507 488 1HB GLU 31 1HB GLU 31 -4.499 -0.302 6.239 489 2HB GLU 31 2HB GLU 31 -3.296 -1.038 5.189 490 1HG GLU 31 1HG GLU 31 -3.123 1.625 6.574 491 2HG GLU 31 2HG GLU 31 -2.166 0.180 6.900 492 H SER 32 H SER 32 -6.817 0.537 4.950 493 HA SER 32 HA SER 32 -7.689 -1.981 4.209 494 1HB SER 32 1HB SER 32 -8.904 -0.469 5.730 495 2HB SER 32 2HB SER 32 -9.304 0.576 4.367 496 HG SER 32 HG SER 32 -10.446 -1.767 5.180 497 H CYS 33 H CYS 33 -8.046 1.073 2.388 498 HA CYS 33 HA CYS 33 -9.554 -0.083 0.316 499 1HB CYS 33 1HB CYS 33 -7.982 2.484 0.433 500 2HB CYS 33 2HB CYS 33 -8.972 2.020 -0.950 501 HG CYS 33 HG CYS 33 -10.074 3.911 1.113 502 H LYS 34 H LYS 34 -6.062 0.761 0.408 503 HA LYS 34 HA LYS 34 -5.636 -0.214 -2.220 504 1HB LYS 34 1HB LYS 34 -3.270 -0.056 -1.798 505 2HB LYS 34 2HB LYS 34 -4.078 1.362 -1.155 506 1HG LYS 34 1HG LYS 34 -3.591 0.828 1.008 507 2HG LYS 34 2HG LYS 34 -3.543 -0.909 0.686 508 1HD LYS 34 1HD LYS 34 -1.415 -0.753 -0.344 509 2HD LYS 34 2HD LYS 34 -1.499 1.006 -0.416 510 1HE LYS 34 1HE LYS 34 0.018 0.132 1.340 511 2HE LYS 34 2HE LYS 34 -1.261 1.178 1.955 512 1HZ LYS 34 1HZ LYS 34 -1.119 -0.635 3.415 513 2HZ LYS 34 2HZ LYS 34 -1.074 -1.773 2.157 514 3HZ LYS 34 3HZ LYS 34 -2.504 -0.927 2.479 515 H GLY 35 H GLY 35 -5.830 -1.790 0.860 516 1HA GLY 35 1HA GLY 35 -4.580 -4.231 0.143 517 2HA GLY 35 2HA GLY 35 -5.794 -4.026 1.400 518 H PHE 36 H PHE 36 -7.994 -3.228 0.092 519 HA PHE 36 HA PHE 36 -8.895 -5.619 -1.168 520 1HB PHE 36 1HB PHE 36 -10.461 -4.327 0.129 521 2HB PHE 36 2HB PHE 36 -10.181 -2.900 -0.863 522 HD1 PHE 36 HD1 PHE 36 -11.271 -6.450 -1.256 523 HD2 PHE 36 HD2 PHE 36 -11.732 -2.397 -2.470 524 HE1 PHE 36 HE1 PHE 36 -13.132 -7.106 -2.724 525 HE2 PHE 36 HE2 PHE 36 -13.595 -3.047 -3.939 526 HZ PHE 36 HZ PHE 36 -14.297 -5.404 -4.068 527 H PHE 37 H PHE 37 -8.035 -2.403 -2.314 528 HA PHE 37 HA PHE 37 -8.808 -2.554 -4.960 529 1HB PHE 37 1HB PHE 37 -7.932 -0.519 -3.899 530 2HB PHE 37 2HB PHE 37 -6.334 -1.244 -3.803 531 HD1 PHE 37 HD1 PHE 37 -8.908 -0.008 -6.146 532 HD2 PHE 37 HD2 PHE 37 -4.840 -1.139 -5.613 533 HE1 PHE 37 HE1 PHE 37 -8.359 0.936 -8.351 534 HE2 PHE 37 HE2 PHE 37 -4.286 -0.199 -7.817 535 HZ PHE 37 HZ PHE 37 -6.047 0.840 -9.189 536 H LYS 38 H LYS 38 -5.625 -3.441 -3.605 537 HA LYS 38 HA LYS 38 -4.695 -4.433 -6.101 538 1HB LYS 38 1HB LYS 38 -3.610 -4.707 -3.308 539 2HB LYS 38 2HB LYS 38 -2.805 -5.371 -4.725 540 1HG LYS 38 1HG LYS 38 -2.723 -3.107 -5.698 541 2HG LYS 38 2HG LYS 38 -3.432 -2.476 -4.211 542 1HD LYS 38 1HD LYS 38 -0.820 -3.966 -4.411 543 2HD LYS 38 2HD LYS 38 -0.991 -2.217 -4.261 544 1HE LYS 38 1HE LYS 38 -2.177 -2.575 -2.112 545 2HE LYS 38 2HE LYS 38 -1.836 -4.300 -2.256 546 1HZ LYS 38 1HZ LYS 38 -0.187 -3.315 -0.872 547 2HZ LYS 38 2HZ LYS 38 0.142 -2.104 -2.009 548 3HZ LYS 38 3HZ LYS 38 0.552 -3.710 -2.343 549 H ARG 39 H ARG 39 -6.249 -5.961 -3.322 550 HA ARG 39 HA ARG 39 -5.803 -8.622 -4.143 551 1HB ARG 39 1HB ARG 39 -7.774 -7.277 -2.378 552 2HB ARG 39 2HB ARG 39 -8.189 -8.883 -2.964 553 1HG ARG 39 1HG ARG 39 -6.093 -9.753 -2.060 554 2HG ARG 39 2HG ARG 39 -5.689 -8.143 -1.463 555 1HD ARG 39 1HD ARG 39 -8.203 -9.587 -0.676 556 2HD ARG 39 2HD ARG 39 -6.688 -9.757 0.211 557 HE ARG 39 HE ARG 39 -7.855 -7.096 -0.196 558 1HH1 ARG 39 1HH1 ARG 39 -6.841 -9.699 1.892 559 2HH1 ARG 39 2HH1 ARG 39 -6.984 -8.762 3.351 560 1HH2 ARG 39 1HH2 ARG 39 -8.053 -5.841 1.723 561 2HH2 ARG 39 2HH2 ARG 39 -7.670 -6.559 3.253 562 H THR 40 H THR 40 -8.344 -6.314 -4.964 563 HA THR 40 HA THR 40 -9.821 -8.021 -6.658 564 HB THR 40 HB THR 40 -9.553 -5.009 -6.829 565 HG1 THR 40 HG1 THR 40 -10.254 -5.418 -4.785 566 1HG2 THR 40 1HG2 THR 40 -11.801 -5.098 -7.797 567 2HG2 THR 40 2HG2 THR 40 -11.776 -6.858 -7.706 568 3HG2 THR 40 3HG2 THR 40 -10.655 -6.014 -8.774 569 H VAL 41 H VAL 41 -7.280 -5.633 -7.314 570 HA VAL 41 HA VAL 41 -7.190 -5.930 -10.099 571 HB VAL 41 HB VAL 41 -5.105 -4.994 -8.129 572 1HG1 VAL 41 1HG1 VAL 41 -4.987 -4.719 -11.129 573 2HG1 VAL 41 2HG1 VAL 41 -4.027 -5.859 -10.188 574 3HG1 VAL 41 3HG1 VAL 41 -3.810 -4.120 -9.952 575 1HG2 VAL 41 1HG2 VAL 41 -5.694 -2.777 -9.009 576 2HG2 VAL 41 2HG2 VAL 41 -7.083 -3.594 -8.293 577 3HG2 VAL 41 3HG2 VAL 41 -6.911 -3.522 -10.047 578 H GLN 42 H GLN 42 -5.144 -7.472 -7.594 579 HA GLN 42 HA GLN 42 -3.447 -8.814 -9.372 580 1HB GLN 42 1HB GLN 42 -4.220 -9.442 -6.530 581 2HB GLN 42 2HB GLN 42 -3.033 -10.384 -7.419 582 1HG GLN 42 1HG GLN 42 -1.686 -8.349 -7.728 583 2HG GLN 42 2HG GLN 42 -2.861 -7.451 -6.765 584 1HE2 GLN 42 1HE2 GLN 42 -2.999 -7.846 -4.554 585 2HE2 GLN 42 2HE2 GLN 42 -1.743 -8.656 -3.687 586 H ASN 43 H ASN 43 -6.543 -9.829 -7.967 587 HA ASN 43 HA ASN 43 -6.284 -12.465 -9.142 588 1HB ASN 43 1HB ASN 43 -8.483 -11.146 -7.550 589 2HB ASN 43 2HB ASN 43 -8.654 -12.746 -8.258 590 1HD2 ASN 43 1HD2 ASN 43 -7.216 -10.858 -5.758 591 2HD2 ASN 43 2HD2 ASN 43 -6.567 -12.184 -4.849 592 H ASN 44 H ASN 44 -7.031 -9.502 -10.334 593 HA ASN 44 HA ASN 44 -8.125 -8.697 -12.163 594 1HB ASN 44 1HB ASN 44 -7.867 -11.607 -12.900 595 2HB ASN 44 2HB ASN 44 -8.723 -10.484 -13.945 596 1HD2 ASN 44 1HD2 ASN 44 -6.002 -9.428 -12.086 597 2HD2 ASN 44 2HD2 ASN 44 -4.896 -9.279 -13.406 598 H LYS 45 H LYS 45 -9.557 -9.355 -9.819 599 HA LYS 45 HA LYS 45 -11.922 -10.824 -10.386 600 1HB LYS 45 1HB LYS 45 -10.957 -9.129 -8.122 601 2HB LYS 45 2HB LYS 45 -12.644 -9.601 -8.184 602 1HG LYS 45 1HG LYS 45 -11.977 -11.958 -8.254 603 2HG LYS 45 2HG LYS 45 -10.284 -11.464 -8.153 604 1HD LYS 45 1HD LYS 45 -10.631 -10.508 -5.983 605 2HD LYS 45 2HD LYS 45 -12.373 -10.763 -6.097 606 1HE LYS 45 1HE LYS 45 -11.994 -13.188 -6.153 607 2HE LYS 45 2HE LYS 45 -10.259 -12.911 -5.997 608 1HZ LYS 45 1HZ LYS 45 -12.323 -12.136 -4.006 609 2HZ LYS 45 2HZ LYS 45 -10.660 -11.855 -3.858 610 3HZ LYS 45 3HZ LYS 45 -11.253 -13.442 -3.865 611 H HIS 46 H HIS 46 -13.409 -10.156 -11.732 612 HA HIS 46 HA HIS 46 -14.020 -7.288 -11.862 613 1HB HIS 46 1HB HIS 46 -14.675 -9.534 -13.784 614 2HB HIS 46 2HB HIS 46 -15.237 -7.876 -13.975 615 HD1 HIS 46 HD1 HIS 46 -13.584 -8.940 -16.219 616 HD2 HIS 46 HD2 HIS 46 -11.896 -7.116 -12.890 617 HE1 HIS 46 HE1 HIS 46 -11.294 -8.191 -16.945 618 HE2 HIS 46 HE2 HIS 46 -10.221 -7.284 -14.849 619 H TYR 47 H TYR 47 -15.264 -7.110 -10.041 620 HA TYR 47 HA TYR 47 -17.402 -8.898 -9.437 621 1HB TYR 47 1HB TYR 47 -16.741 -6.145 -8.377 622 2HB TYR 47 2HB TYR 47 -18.039 -7.153 -7.751 623 HD1 TYR 47 HD1 TYR 47 -14.514 -6.435 -7.652 624 HD2 TYR 47 HD2 TYR 47 -17.448 -9.360 -6.680 625 HE1 TYR 47 HE1 TYR 47 -12.940 -7.488 -6.084 626 HE2 TYR 47 HE2 TYR 47 -15.879 -10.422 -5.113 627 HH TYR 47 HH TYR 47 -12.996 -8.921 -4.107 628 H THR 48 H THR 48 -19.668 -8.136 -9.193 629 HA THR 48 HA THR 48 -20.445 -6.020 -11.055 630 HB THR 48 HB THR 48 -21.924 -8.654 -11.038 631 HG1 THR 48 HG1 THR 48 -19.489 -8.333 -11.945 632 1HG2 THR 48 1HG2 THR 48 -23.088 -6.649 -11.910 633 2HG2 THR 48 2HG2 THR 48 -22.805 -7.854 -13.162 634 3HG2 THR 48 3HG2 THR 48 -21.783 -6.420 -13.073 635 H CYS 49 H CYS 49 -22.449 -5.032 -10.508 636 HA CYS 49 HA CYS 49 -23.243 -5.574 -7.715 637 1HB CYS 49 1HB CYS 49 -21.972 -3.448 -8.160 638 2HB CYS 49 2HB CYS 49 -23.304 -2.922 -9.182 639 HG CYS 49 HG CYS 49 -24.572 -1.773 -7.284 640 H THR 50 H THR 50 -24.342 -6.490 -10.410 641 HA THR 50 HA THR 50 -26.310 -6.821 -11.478 642 HB THR 50 HB THR 50 -27.619 -5.655 -9.012 643 HG1 THR 50 HG1 THR 50 -26.135 -7.529 -8.717 644 1HG2 THR 50 1HG2 THR 50 -28.665 -7.543 -11.128 645 2HG2 THR 50 2HG2 THR 50 -29.115 -5.848 -10.942 646 3HG2 THR 50 3HG2 THR 50 -29.541 -7.015 -9.691 647 H GLU 51 H GLU 51 -27.246 -3.924 -9.651 648 HA GLU 51 HA GLU 51 -27.152 -2.360 -12.132 649 1HB GLU 51 1HB GLU 51 -29.389 -2.334 -10.096 650 2HB GLU 51 2HB GLU 51 -29.228 -1.198 -11.425 651 1HG GLU 51 1HG GLU 51 -29.420 -3.053 -13.017 652 2HG GLU 51 2HG GLU 51 -29.633 -4.168 -11.666 653 H SER 52 H SER 52 -27.412 0.059 -11.507 654 HA SER 52 HA SER 52 -26.211 1.805 -10.700 655 1HB SER 52 1HB SER 52 -26.413 2.134 -8.207 656 2HB SER 52 2HB SER 52 -27.938 1.849 -9.040 657 HG SER 52 HG SER 52 -26.784 -0.469 -8.204 658 H GLN 53 H GLN 53 -24.299 0.843 -11.611 659 HA GLN 53 HA GLN 53 -22.576 -0.835 -10.125 660 1HB GLN 53 1HB GLN 53 -21.898 0.956 -12.463 661 2HB GLN 53 2HB GLN 53 -20.963 -0.423 -11.900 662 1HG GLN 53 1HG GLN 53 -22.818 -1.914 -12.454 663 2HG GLN 53 2HG GLN 53 -23.753 -0.531 -13.025 664 1HE2 GLN 53 1HE2 GLN 53 -22.954 -2.887 -14.495 665 2HE2 GLN 53 2HE2 GLN 53 -21.995 -2.336 -15.829 666 H SER 54 H SER 54 -23.087 2.554 -10.103 667 HA SER 54 HA SER 54 -20.726 2.884 -8.383 668 1HB SER 54 1HB SER 54 -20.931 5.326 -8.885 669 2HB SER 54 2HB SER 54 -20.598 4.351 -10.316 670 HG SER 54 HG SER 54 -23.232 5.041 -9.549 671 H CYS 55 H CYS 55 -22.013 1.934 -6.666 672 HA CYS 55 HA CYS 55 -24.290 3.401 -5.683 673 1HB CYS 55 1HB CYS 55 -22.693 1.134 -4.475 674 2HB CYS 55 2HB CYS 55 -24.138 1.826 -3.748 675 HG CYS 55 HG CYS 55 -24.456 0.729 -6.923 676 H LYS 56 H LYS 56 -24.303 4.118 -3.362 677 HA LYS 56 HA LYS 56 -22.203 6.017 -2.949 678 1HB LYS 56 1HB LYS 56 -24.520 5.243 -1.162 679 2HB LYS 56 2HB LYS 56 -23.488 6.650 -0.946 680 1HG LYS 56 1HG LYS 56 -24.301 7.642 -2.959 681 2HG LYS 56 2HG LYS 56 -25.182 6.173 -3.385 682 1HD LYS 56 1HD LYS 56 -26.589 6.459 -1.392 683 2HD LYS 56 2HD LYS 56 -25.720 7.945 -1.004 684 1HE LYS 56 1HE LYS 56 -26.501 8.992 -3.018 685 2HE LYS 56 2HE LYS 56 -27.225 7.482 -3.573 686 1HZ LYS 56 1HZ LYS 56 -28.053 8.971 -1.139 687 2HZ LYS 56 2HZ LYS 56 -28.782 7.571 -1.759 688 3HZ LYS 56 3HZ LYS 56 -28.858 9.021 -2.632 689 H ILE 57 H ILE 57 -20.290 5.398 -2.200 690 HA ILE 57 HA ILE 57 -20.021 3.039 -0.564 691 HB ILE 57 HB ILE 57 -17.865 5.045 -1.241 692 1HG1 ILE 57 1HG1 ILE 57 -18.961 4.200 -3.288 693 2HG1 ILE 57 2HG1 ILE 57 -17.305 3.616 -3.145 694 1HG2 ILE 57 1HG2 ILE 57 -17.319 3.510 0.575 695 2HG2 ILE 57 2HG2 ILE 57 -16.360 3.147 -0.860 696 3HG2 ILE 57 3HG2 ILE 57 -17.743 2.134 -0.446 697 1HD1 ILE 57 1HD1 ILE 57 -18.796 1.863 -3.919 698 2HD1 ILE 57 2HD1 ILE 57 -19.805 2.066 -2.486 699 3HD1 ILE 57 3HD1 ILE 57 -18.153 1.469 -2.325 700 H ASP 58 H ASP 58 -20.706 3.216 1.445 701 HA ASP 58 HA ASP 58 -19.995 5.624 2.989 702 1HB ASP 58 1HB ASP 58 -22.357 3.771 3.134 703 2HB ASP 58 2HB ASP 58 -21.856 4.666 4.562 704 H LYS 59 H LYS 59 -19.881 5.076 5.428 705 HA LYS 59 HA LYS 59 -17.826 3.241 5.922 706 1HB LYS 59 1HB LYS 59 -19.882 4.429 7.787 707 2HB LYS 59 2HB LYS 59 -18.529 3.450 8.335 708 1HG LYS 59 1HG LYS 59 -16.983 5.093 7.328 709 2HG LYS 59 2HG LYS 59 -18.373 6.093 6.901 710 1HD LYS 59 1HD LYS 59 -17.296 6.841 8.981 711 2HD LYS 59 2HD LYS 59 -18.962 6.322 9.245 712 1HE LYS 59 1HE LYS 59 -18.136 4.139 10.027 713 2HE LYS 59 2HE LYS 59 -16.479 4.698 9.801 714 1HZ LYS 59 1HZ LYS 59 -18.411 6.070 11.578 715 2HZ LYS 59 2HZ LYS 59 -16.725 6.281 11.509 716 3HZ LYS 59 3HZ LYS 59 -17.380 4.841 12.122 717 H THR 60 H THR 60 -21.253 2.824 5.706 718 HA THR 60 HA THR 60 -21.186 0.176 6.883 719 HB THR 60 HB THR 60 -23.614 0.148 6.357 720 HG1 THR 60 HG1 THR 60 -24.306 1.501 4.903 721 1HG2 THR 60 1HG2 THR 60 -22.839 1.027 8.501 722 2HG2 THR 60 2HG2 THR 60 -24.261 1.906 7.938 723 3HG2 THR 60 3HG2 THR 60 -22.660 2.630 7.788 724 H GLN 61 H GLN 61 -21.828 1.622 3.691 725 HA GLN 61 HA GLN 61 -22.360 -0.956 2.529 726 1HB GLN 61 1HB GLN 61 -22.139 1.744 1.203 727 2HB GLN 61 2HB GLN 61 -22.736 0.277 0.443 728 1HG GLN 61 1HG GLN 61 -24.507 0.224 2.242 729 2HG GLN 61 2HG GLN 61 -23.989 1.855 2.664 730 1HE2 GLN 61 1HE2 GLN 61 -25.912 2.798 2.109 731 2HE2 GLN 61 2HE2 GLN 61 -26.437 2.953 0.468 732 H ARG 62 H ARG 62 -19.497 0.484 3.262 733 HA ARG 62 HA ARG 62 -18.100 -0.003 0.829 734 1HB ARG 62 1HB ARG 62 -16.046 0.344 2.147 735 2HB ARG 62 2HB ARG 62 -17.221 1.631 2.360 736 1HG ARG 62 1HG ARG 62 -17.919 0.484 4.490 737 2HG ARG 62 2HG ARG 62 -16.505 -0.555 4.289 738 1HD ARG 62 1HD ARG 62 -15.073 1.441 4.229 739 2HD ARG 62 2HD ARG 62 -16.492 2.454 4.477 740 HE ARG 62 HE ARG 62 -16.082 0.453 6.518 741 1HH1 ARG 62 1HH1 ARG 62 -15.521 3.758 5.497 742 2HH1 ARG 62 2HH1 ARG 62 -15.038 4.294 7.076 743 1HH2 ARG 62 1HH2 ARG 62 -15.469 1.172 8.605 744 2HH2 ARG 62 2HH2 ARG 62 -14.973 2.830 8.830 745 H LYS 63 H LYS 63 -19.174 -2.024 3.361 746 HA LYS 63 HA LYS 63 -17.472 -4.229 2.468 747 1HB LYS 63 1HB LYS 63 -19.571 -4.092 4.639 748 2HB LYS 63 2HB LYS 63 -18.686 -5.549 4.214 749 1HG LYS 63 1HG LYS 63 -16.580 -4.179 4.718 750 2HG LYS 63 2HG LYS 63 -17.679 -3.053 5.519 751 1HD LYS 63 1HD LYS 63 -18.488 -4.835 6.964 752 2HD LYS 63 2HD LYS 63 -17.449 -5.997 6.141 753 1HE LYS 63 1HE LYS 63 -16.377 -5.395 8.180 754 2HE LYS 63 2HE LYS 63 -15.485 -4.629 6.867 755 1HZ LYS 63 1HZ LYS 63 -17.561 -3.238 8.464 756 2HZ LYS 63 2HZ LYS 63 -16.473 -2.542 7.373 757 3HZ LYS 63 3HZ LYS 63 -15.910 -3.186 8.839 758 H ARG 64 H ARG 64 -20.263 -2.762 1.504 759 HA ARG 64 HA ARG 64 -21.759 -5.194 0.922 760 1HB ARG 64 1HB ARG 64 -22.419 -2.273 0.873 761 2HB ARG 64 2HB ARG 64 -23.417 -3.410 -0.024 762 1HG ARG 64 1HG ARG 64 -23.950 -4.611 1.990 763 2HG ARG 64 2HG ARG 64 -22.830 -3.615 2.921 764 1HD ARG 64 1HD ARG 64 -25.279 -3.016 3.113 765 2HD ARG 64 2HD ARG 64 -24.189 -1.698 2.691 766 HE ARG 64 HE ARG 64 -24.951 -2.316 0.287 767 1HH1 ARG 64 1HH1 ARG 64 -26.976 -2.413 3.155 768 2HH1 ARG 64 2HH1 ARG 64 -28.415 -1.954 2.295 769 1HH2 ARG 64 1HH2 ARG 64 -26.823 -1.724 -0.826 770 2HH2 ARG 64 2HH2 ARG 64 -28.338 -1.575 0.025 771 H CYS 65 H CYS 65 -20.562 -2.352 -0.879 772 HA CYS 65 HA CYS 65 -20.882 -3.919 -3.344 773 1HB CYS 65 1HB CYS 65 -20.710 -0.940 -2.894 774 2HB CYS 65 2HB CYS 65 -20.693 -1.687 -4.488 775 HG CYS 65 HG CYS 65 -23.233 -1.722 -4.762 776 HA PRO 66 HA PRO 66 -16.352 -4.092 -3.037 777 1HB PRO 66 1HB PRO 66 -16.710 -6.154 -5.103 778 2HB PRO 66 2HB PRO 66 -15.936 -6.276 -3.522 779 1HG PRO 66 1HG PRO 66 -18.296 -7.453 -4.034 780 2HG PRO 66 2HG PRO 66 -17.912 -6.773 -2.441 781 1HD PRO 66 1HD PRO 66 -19.581 -5.614 -4.646 782 2HD PRO 66 2HD PRO 66 -19.882 -5.628 -2.893 783 H PHE 67 H PHE 67 -18.152 -4.479 -6.093 784 HA PHE 67 HA PHE 67 -16.114 -3.509 -7.768 785 1HB PHE 67 1HB PHE 67 -18.006 -4.816 -8.626 786 2HB PHE 67 2HB PHE 67 -19.109 -3.504 -8.221 787 HD1 PHE 67 HD1 PHE 67 -19.491 -1.752 -9.725 788 HD2 PHE 67 HD2 PHE 67 -16.210 -4.388 -10.353 789 HE1 PHE 67 HE1 PHE 67 -19.112 -0.749 -11.940 790 HE2 PHE 67 HE2 PHE 67 -15.829 -3.392 -12.568 791 HZ PHE 67 HZ PHE 67 -17.281 -1.570 -13.365 792 H CYS 68 H CYS 68 -18.846 -1.888 -6.217 793 HA CYS 68 HA CYS 68 -18.473 0.613 -7.452 794 1HB CYS 68 1HB CYS 68 -19.701 0.051 -4.744 795 2HB CYS 68 2HB CYS 68 -19.950 1.490 -5.730 796 HG CYS 68 HG CYS 68 -21.067 -0.175 -7.858 797 H ARG 69 H ARG 69 -17.107 -0.824 -4.527 798 HA ARG 69 HA ARG 69 -15.848 1.588 -3.667 799 1HB ARG 69 1HB ARG 69 -16.330 -0.273 -2.113 800 2HB ARG 69 2HB ARG 69 -15.150 -1.267 -2.959 801 1HG ARG 69 1HG ARG 69 -13.370 0.239 -2.320 802 2HG ARG 69 2HG ARG 69 -14.531 1.321 -1.550 803 1HD ARG 69 1HD ARG 69 -15.118 -0.438 0.037 804 2HD ARG 69 2HD ARG 69 -13.969 -1.528 -0.740 805 HE ARG 69 HE ARG 69 -12.519 0.705 -0.032 806 1HH1 ARG 69 1HH1 ARG 69 -14.474 -1.660 1.624 807 2HH1 ARG 69 2HH1 ARG 69 -13.533 -1.621 3.079 808 1HH2 ARG 69 1HH2 ARG 69 -11.275 0.796 1.894 809 2HH2 ARG 69 2HH2 ARG 69 -11.703 -0.216 3.240 810 H PHE 70 H PHE 70 -14.934 -1.113 -5.704 811 HA PHE 70 HA PHE 70 -12.216 -0.450 -6.034 812 1HB PHE 70 1HB PHE 70 -13.126 -2.622 -6.705 813 2HB PHE 70 2HB PHE 70 -14.115 -1.844 -7.935 814 HD1 PHE 70 HD1 PHE 70 -13.312 -1.646 -10.093 815 HD2 PHE 70 HD2 PHE 70 -10.570 -2.297 -6.906 816 HE1 PHE 70 HE1 PHE 70 -11.488 -1.906 -11.722 817 HE2 PHE 70 HE2 PHE 70 -8.740 -2.557 -8.530 818 HZ PHE 70 HZ PHE 70 -9.197 -2.361 -10.941 819 H GLN 71 H GLN 71 -15.084 0.372 -7.988 820 HA GLN 71 HA GLN 71 -13.645 2.045 -9.768 821 1HB GLN 71 1HB GLN 71 -15.753 2.673 -10.682 822 2HB GLN 71 2HB GLN 71 -15.867 0.981 -10.251 823 1HG GLN 71 1HG GLN 71 -17.892 1.788 -9.554 824 2HG GLN 71 2HG GLN 71 -16.948 1.843 -8.070 825 1HE2 GLN 71 1HE2 GLN 71 -16.650 4.131 -10.729 826 2HE2 GLN 71 2HE2 GLN 71 -17.248 5.495 -9.851 827 H LYS 72 H LYS 72 -15.199 2.570 -6.682 828 HA LYS 72 HA LYS 72 -15.111 5.342 -6.521 829 1HB LYS 72 1HB LYS 72 -16.159 3.731 -4.909 830 2HB LYS 72 2HB LYS 72 -14.550 3.354 -4.315 831 1HG LYS 72 1HG LYS 72 -15.669 4.905 -2.850 832 2HG LYS 72 2HG LYS 72 -14.273 5.672 -3.612 833 1HD LYS 72 1HD LYS 72 -15.602 6.966 -5.011 834 2HD LYS 72 2HD LYS 72 -17.011 5.928 -4.796 835 1HE LYS 72 1HE LYS 72 -17.333 6.683 -2.588 836 2HE LYS 72 2HE LYS 72 -15.786 7.527 -2.567 837 1HZ LYS 72 1HZ LYS 72 -16.618 9.077 -4.189 838 2HZ LYS 72 2HZ LYS 72 -17.675 9.033 -2.866 839 3HZ LYS 72 3HZ LYS 72 -18.089 8.241 -4.306 840 H CYS 73 H CYS 73 -12.644 2.916 -5.708 841 HA CYS 73 HA CYS 73 -10.630 4.659 -4.848 842 1HB CYS 73 1HB CYS 73 -10.334 2.004 -6.276 843 2HB CYS 73 2HB CYS 73 -9.072 2.818 -5.360 844 HG CYS 73 HG CYS 73 -11.972 1.526 -4.080 845 H LEU 74 H LEU 74 -11.438 3.442 -8.073 846 HA LEU 74 HA LEU 74 -9.304 4.733 -9.425 847 1HB LEU 74 1HB LEU 74 -11.995 3.888 -10.476 848 2HB LEU 74 2HB LEU 74 -10.600 4.298 -11.453 849 HG LEU 74 HG LEU 74 -10.769 1.972 -9.541 850 1HD1 LEU 74 1HD1 LEU 74 -12.196 1.708 -11.491 851 2HD1 LEU 74 2HD1 LEU 74 -10.807 0.619 -11.565 852 3HD1 LEU 74 3HD1 LEU 74 -10.834 2.087 -12.544 853 1HD2 LEU 74 1HD2 LEU 74 -8.510 2.858 -9.750 854 2HD2 LEU 74 2HD2 LEU 74 -8.634 2.785 -11.507 855 3HD2 LEU 74 3HD2 LEU 74 -8.650 1.298 -10.558 856 H THR 75 H THR 75 -12.618 5.667 -8.690 857 HA THR 75 HA THR 75 -12.831 8.000 -10.170 858 HB THR 75 HB THR 75 -13.973 7.352 -7.446 859 HG1 THR 75 HG1 THR 75 -14.623 6.000 -9.235 860 1HG2 THR 75 1HG2 THR 75 -13.969 9.771 -7.800 861 2HG2 THR 75 2HG2 THR 75 -15.611 9.124 -7.875 862 3HG2 THR 75 3HG2 THR 75 -14.761 9.551 -9.362 863 H VAL 76 H VAL 76 -11.508 7.547 -6.902 864 HA VAL 76 HA VAL 76 -10.866 10.333 -6.651 865 HB VAL 76 HB VAL 76 -9.798 9.757 -4.544 866 1HG1 VAL 76 1HG1 VAL 76 -11.747 8.837 -3.388 867 2HG1 VAL 76 2HG1 VAL 76 -12.424 8.327 -4.936 868 3HG1 VAL 76 3HG1 VAL 76 -12.215 10.043 -4.587 869 1HG2 VAL 76 1HG2 VAL 76 -9.755 7.442 -3.739 870 2HG2 VAL 76 2HG2 VAL 76 -8.750 7.659 -5.172 871 3HG2 VAL 76 3HG2 VAL 76 -10.332 6.890 -5.311 872 H GLY 77 H GLY 77 -9.323 7.610 -8.078 873 1HA GLY 77 1HA GLY 77 -7.602 8.139 -9.671 874 2HA GLY 77 2HA GLY 77 -7.032 9.393 -8.587 875 H MET 78 H MET 78 -7.801 6.188 -7.369 876 HA MET 78 HA MET 78 -5.078 5.760 -6.610 877 1HB MET 78 1HB MET 78 -7.453 3.890 -6.589 878 2HB MET 78 2HB MET 78 -5.871 3.487 -5.935 879 1HG MET 78 1HG MET 78 -6.101 5.485 -4.431 880 2HG MET 78 2HG MET 78 -7.774 5.604 -4.973 881 1HE MET 78 1HE MET 78 -6.063 1.950 -2.752 882 2HE MET 78 2HE MET 78 -5.107 3.352 -3.242 883 3HE MET 78 3HE MET 78 -5.777 2.269 -4.463 884 H ARG 79 H ARG 79 -3.591 5.365 -8.051 885 HA ARG 79 HA ARG 79 -4.217 4.754 -10.729 886 1HB ARG 79 1HB ARG 79 -1.500 4.696 -9.409 887 2HB ARG 79 2HB ARG 79 -1.829 4.869 -11.127 888 1HG ARG 79 1HG ARG 79 -2.651 6.849 -9.011 889 2HG ARG 79 2HG ARG 79 -1.228 6.996 -10.042 890 1HD ARG 79 1HD ARG 79 -2.482 7.385 -11.944 891 2HD ARG 79 2HD ARG 79 -3.920 6.614 -11.279 892 HE ARG 79 HE ARG 79 -3.264 8.930 -9.789 893 1HH1 ARG 79 1HH1 ARG 79 -4.532 7.976 -12.904 894 2HH1 ARG 79 2HH1 ARG 79 -5.602 9.341 -13.031 895 1HH2 ARG 79 1HH2 ARG 79 -4.651 10.734 -9.940 896 2HH2 ARG 79 2HH2 ARG 79 -5.687 10.906 -11.333 897 H LEU 80 H LEU 80 -4.507 2.912 -11.706 898 HA LEU 80 HA LEU 80 -4.057 0.347 -10.569 899 1HB LEU 80 1HB LEU 80 -4.397 1.166 -13.459 900 2HB LEU 80 2HB LEU 80 -4.495 -0.476 -12.857 901 HG LEU 80 HG LEU 80 -6.358 1.634 -11.824 902 1HD1 LEU 80 1HD1 LEU 80 -7.943 1.021 -13.561 903 2HD1 LEU 80 2HD1 LEU 80 -6.745 -0.047 -14.296 904 3HD1 LEU 80 3HD1 LEU 80 -6.473 1.696 -14.268 905 1HD2 LEU 80 1HD2 LEU 80 -6.245 -0.506 -10.644 906 2HD2 LEU 80 2HD2 LEU 80 -6.570 -1.360 -12.153 907 3HD2 LEU 80 3HD2 LEU 80 -7.800 -0.308 -11.454 908 H GLU 81 H GLU 81 -2.185 2.593 -12.317 909 HA GLU 81 HA GLU 81 -0.116 0.954 -13.297 910 1HB GLU 81 1HB GLU 81 0.111 3.813 -12.351 911 2HB GLU 81 2HB GLU 81 1.139 3.001 -13.524 912 1HG GLU 81 1HG GLU 81 -0.493 3.037 -15.169 913 2HG GLU 81 2HG GLU 81 -1.794 3.293 -14.006 914 H ALA 82 H ALA 82 -0.888 2.034 -10.111 915 HA ALA 82 HA ALA 82 1.790 1.840 -9.070 916 1HB ALA 82 1HB ALA 82 0.198 3.453 -8.144 917 2HB ALA 82 2HB ALA 82 0.784 2.337 -6.912 918 3HB ALA 82 3HB ALA 82 -0.826 2.126 -7.598 919 H VAL 83 H VAL 83 -1.077 -0.203 -9.169 920 HA VAL 83 HA VAL 83 0.087 -2.171 -7.423 921 HB VAL 83 HB VAL 83 -2.301 -2.082 -7.371 922 1HG1 VAL 83 1HG1 VAL 83 -2.289 -2.587 -10.331 923 2HG1 VAL 83 2HG1 VAL 83 -2.725 -1.078 -9.530 924 3HG1 VAL 83 3HG1 VAL 83 -3.719 -2.518 -9.301 925 1HG2 VAL 83 1HG2 VAL 83 -1.355 -4.298 -7.118 926 2HG2 VAL 83 2HG2 VAL 83 -1.431 -4.547 -8.862 927 3HG2 VAL 83 3HG2 VAL 83 -2.919 -4.385 -7.930 928 H ARG 84 H ARG 84 1.954 -2.913 -8.226 929 HA ARG 84 HA ARG 84 2.066 -3.880 -10.970 930 1HB ARG 84 1HB ARG 84 4.244 -3.826 -8.870 931 2HB ARG 84 2HB ARG 84 4.453 -4.153 -10.585 932 1HG ARG 84 1HG ARG 84 3.727 -1.877 -11.107 933 2HG ARG 84 2HG ARG 84 3.530 -1.549 -9.384 934 1HD ARG 84 1HD ARG 84 5.636 -0.654 -10.088 935 2HD ARG 84 2HD ARG 84 5.943 -2.062 -9.075 936 HE ARG 84 HE ARG 84 5.897 -2.961 -11.705 937 1HH1 ARG 84 1HH1 ARG 84 7.840 -0.861 -9.683 938 2HH1 ARG 84 2HH1 ARG 84 9.268 -1.029 -10.667 939 1HH2 ARG 84 1HH2 ARG 84 7.766 -3.210 -12.973 940 2HH2 ARG 84 2HH2 ARG 84 9.233 -2.389 -12.528 941 H ALA 85 H ALA 85 1.147 -5.808 -11.230 942 HA ALA 85 HA ALA 85 0.892 -7.724 -9.133 943 1HB ALA 85 1HB ALA 85 -0.767 -7.496 -10.917 944 2HB ALA 85 2HB ALA 85 -0.142 -9.142 -10.818 945 3HB ALA 85 3HB ALA 85 0.420 -8.061 -12.092 946 H ASP 86 H ASP 86 3.516 -6.905 -10.885 947 HA ASP 86 HA ASP 86 4.650 -9.525 -11.311 948 1HB ASP 86 1HB ASP 86 5.121 -7.517 -12.763 949 2HB ASP 86 2HB ASP 86 6.015 -6.825 -11.417 950 H ARG 87 H ARG 87 3.919 -8.073 -8.608 951 HA ARG 87 HA ARG 87 4.502 -8.382 -6.439 952 1HB ARG 87 1HB ARG 87 5.307 -10.651 -7.389 953 2HB ARG 87 2HB ARG 87 6.920 -9.964 -7.278 954 1HG ARG 87 1HG ARG 87 6.482 -11.289 -5.327 955 2HG ARG 87 2HG ARG 87 6.556 -9.588 -4.863 956 1HD ARG 87 1HD ARG 87 4.701 -10.726 -3.756 957 2HD ARG 87 2HD ARG 87 4.116 -9.473 -4.854 958 HE ARG 87 HE ARG 87 4.248 -12.209 -5.883 959 1HH1 ARG 87 1HH1 ARG 87 2.303 -9.611 -4.581 960 2HH1 ARG 87 2HH1 ARG 87 0.805 -10.241 -5.193 961 1HH2 ARG 87 1HH2 ARG 87 2.268 -13.073 -6.666 962 2HH2 ARG 87 2HH2 ARG 87 0.788 -12.218 -6.365 963 H MET 88 H MET 88 5.743 -6.384 -8.364 964 HA MET 88 HA MET 88 8.249 -5.704 -7.091 965 1HB MET 88 1HB MET 88 6.623 -4.419 -9.278 966 2HB MET 88 2HB MET 88 8.063 -3.663 -8.610 967 1HG MET 88 1HG MET 88 8.061 -6.427 -9.761 968 2HG MET 88 2HG MET 88 8.371 -4.986 -10.728 969 1HE MET 88 1HE MET 88 11.637 -3.592 -9.109 970 2HE MET 88 2HE MET 88 9.974 -3.139 -8.737 971 3HE MET 88 3HE MET 88 10.461 -3.410 -10.410 972 H ARG 89 H ARG 89 8.106 -4.950 -5.115 973 HA ARG 89 HA ARG 89 5.826 -3.379 -4.264 974 1HB ARG 89 1HB ARG 89 8.246 -4.374 -2.753 975 2HB ARG 89 2HB ARG 89 6.899 -3.509 -2.024 976 1HG ARG 89 1HG ARG 89 5.383 -5.305 -2.703 977 2HG ARG 89 2HG ARG 89 6.745 -6.176 -3.413 978 1HD ARG 89 1HD ARG 89 7.810 -6.318 -1.231 979 2HD ARG 89 2HD ARG 89 6.483 -5.406 -0.511 980 HE ARG 89 HE ARG 89 5.430 -7.654 -1.800 981 1HH1 ARG 89 1HH1 ARG 89 7.448 -6.872 0.932 982 2HH1 ARG 89 2HH1 ARG 89 6.939 -8.239 1.874 983 1HH2 ARG 89 1HH2 ARG 89 4.742 -9.467 -0.566 984 2HH2 ARG 89 2HH2 ARG 89 5.398 -9.714 1.027 985 H GLY 90 H GLY 90 6.822 -1.819 -6.045 986 1HA GLY 90 1HA GLY 90 7.223 0.609 -5.027 987 2HA GLY 90 2HA GLY 90 8.844 -0.061 -4.919 988 H GLY 91 H GLY 91 8.958 1.999 -6.332 989 1HA GLY 91 1HA GLY 91 10.083 1.753 -8.641 990 2HA GLY 91 2HA GLY 91 8.452 1.336 -9.149 991 H ARG 92 H ARG 92 10.250 3.892 -7.444 992 HA ARG 92 HA ARG 92 8.172 5.815 -8.060 993 1HB ARG 92 1HB ARG 92 10.892 6.260 -6.806 994 2HB ARG 92 2HB ARG 92 9.565 7.412 -6.844 995 1HG ARG 92 1HG ARG 92 8.261 6.060 -5.358 996 2HG ARG 92 2HG ARG 92 9.437 4.746 -5.446 997 1HD ARG 92 1HD ARG 92 11.121 6.196 -4.407 998 2HD ARG 92 2HD ARG 92 9.938 7.498 -4.311 999 HE ARG 92 HE ARG 92 8.651 5.826 -2.857 1000 1HH1 ARG 92 1HH1 ARG 92 12.154 5.944 -3.027 1001 2HH1 ARG 92 2HH1 ARG 92 12.373 5.438 -1.386 1002 1HH2 ARG 92 1HH2 ARG 92 8.941 5.168 -0.690 1003 2HH2 ARG 92 2HH2 ARG 92 10.549 4.991 -0.054 1004 H ASN 93 H ASN 93 8.249 5.740 -10.346 1005 HA ASN 93 HA ASN 93 10.489 7.255 -11.490 1006 1HB ASN 93 1HB ASN 93 9.313 4.693 -12.569 1007 2HB ASN 93 2HB ASN 93 10.250 5.799 -13.566 1008 1HD2 ASN 93 1HD2 ASN 93 12.449 6.019 -13.209 1009 2HD2 ASN 93 2HD2 ASN 93 13.342 4.871 -12.267 1010 H LYS 94 H LYS 94 7.561 5.746 -12.846 1011 HA LYS 94 HA LYS 94 6.957 7.987 -14.461 1012 1HB LYS 94 1HB LYS 94 6.207 5.657 -14.922 1013 2HB LYS 94 2HB LYS 94 5.088 5.781 -13.571 1014 1HG LYS 94 1HG LYS 94 3.925 7.608 -14.699 1015 2HG LYS 94 2HG LYS 94 5.047 7.483 -16.054 1016 1HD LYS 94 1HD LYS 94 4.296 5.161 -16.420 1017 2HD LYS 94 2HD LYS 94 3.127 5.356 -15.111 1018 1HE LYS 94 1HE LYS 94 3.218 7.062 -17.594 1019 2HE LYS 94 2HE LYS 94 2.162 5.668 -17.381 1020 1HZ LYS 94 1HZ LYS 94 2.145 8.030 -15.578 1021 2HZ LYS 94 2HZ LYS 94 1.024 6.751 -15.623 1022 3HZ LYS 94 3HZ LYS 94 1.110 7.850 -16.910 1023 H PHE 95 H PHE 95 6.007 7.052 -11.239 1024 HA PHE 95 HA PHE 95 4.021 9.149 -11.024 1025 1HB PHE 95 1HB PHE 95 5.155 7.373 -8.854 1026 2HB PHE 95 2HB PHE 95 3.709 8.370 -8.744 1027 HD1 PHE 95 HD1 PHE 95 1.944 7.853 -10.699 1028 HD2 PHE 95 HD2 PHE 95 4.862 5.146 -9.194 1029 HE1 PHE 95 HE1 PHE 95 0.585 5.957 -11.479 1030 HE2 PHE 95 HE2 PHE 95 3.510 3.248 -9.973 1031 HZ PHE 95 HZ PHE 95 1.370 3.654 -11.117 1032 H GLY 96 H GLY 96 7.314 9.068 -10.964 1033 1HA GLY 96 1HA GLY 96 8.195 10.308 -8.676 1034 2HA GLY 96 2HA GLY 96 8.932 10.526 -10.253 1035 HA PRO 97 HA PRO 97 7.832 14.759 -10.625 1036 1HB PRO 97 1HB PRO 97 5.882 14.149 -12.793 1037 2HB PRO 97 2HB PRO 97 7.217 15.307 -12.770 1038 1HG PRO 97 1HG PRO 97 7.445 13.018 -14.099 1039 2HG PRO 97 2HG PRO 97 8.814 13.671 -13.178 1040 1HD PRO 97 1HD PRO 97 6.970 11.422 -12.499 1041 2HD PRO 97 2HD PRO 97 8.710 11.588 -12.189 1042 H MET 98 H MET 98 4.808 12.904 -11.212 1043 HA MET 98 HA MET 98 3.129 14.949 -10.257 1044 1HB MET 98 1HB MET 98 1.338 13.310 -10.246 1045 2HB MET 98 2HB MET 98 2.305 13.146 -11.702 1046 1HG MET 98 1HG MET 98 3.435 11.214 -10.740 1047 2HG MET 98 2HG MET 98 2.490 11.398 -9.263 1048 1HE MET 98 1HE MET 98 -0.377 12.175 -10.359 1049 2HE MET 98 2HE MET 98 -0.106 10.978 -9.093 1050 3HE MET 98 3HE MET 98 -1.131 10.584 -10.473 1051 H TYR 99 H TYR 99 4.652 12.245 -8.583 1052 HA TYR 99 HA TYR 99 3.119 12.492 -6.195 1053 1HB TYR 99 1HB TYR 99 4.494 10.477 -7.035 1054 2HB TYR 99 2HB TYR 99 5.888 11.309 -6.360 1055 HD1 TYR 99 HD1 TYR 99 6.361 11.194 -4.052 1056 HD2 TYR 99 HD2 TYR 99 2.595 9.844 -5.504 1057 HE1 TYR 99 HE1 TYR 99 5.868 10.217 -1.849 1058 HE2 TYR 99 HE2 TYR 99 2.085 8.871 -3.306 1059 HH TYR 99 HH TYR 99 3.149 8.149 -1.326 1060 H LYS 100 H LYS 100 6.409 13.489 -7.092 1061 HA LYS 100 HA LYS 100 7.074 14.868 -4.744 1062 1HB LYS 100 1HB LYS 100 7.913 15.392 -7.604 1063 2HB LYS 100 2HB LYS 100 8.673 16.121 -6.199 1064 1HG LYS 100 1HG LYS 100 9.565 14.060 -5.486 1065 2HG LYS 100 2HG LYS 100 8.534 13.150 -6.594 1066 1HD LYS 100 1HD LYS 100 9.711 13.981 -8.490 1067 2HD LYS 100 2HD LYS 100 10.636 15.105 -7.495 1068 1HE LYS 100 1HE LYS 100 10.764 12.113 -7.176 1069 2HE LYS 100 2HE LYS 100 11.850 13.019 -8.229 1070 1HZ LYS 100 1HZ LYS 100 12.583 14.292 -6.300 1071 2HZ LYS 100 2HZ LYS 100 12.859 12.636 -6.082 1072 3HZ LYS 100 3HZ LYS 100 11.562 13.389 -5.292 1073 H ARG 101 H ARG 101 5.430 15.893 -7.674 1074 HA ARG 101 HA ARG 101 5.334 18.654 -7.100 1075 1HB ARG 101 1HB ARG 101 4.995 17.412 -9.328 1076 2HB ARG 101 2HB ARG 101 3.338 17.173 -8.796 1077 1HG ARG 101 1HG ARG 101 2.986 19.564 -8.708 1078 2HG ARG 101 2HG ARG 101 4.675 19.847 -9.146 1079 1HD ARG 101 1HD ARG 101 4.234 18.520 -11.240 1080 2HD ARG 101 2HD ARG 101 2.524 18.569 -10.820 1081 HE ARG 101 HE ARG 101 3.383 21.189 -10.766 1082 1HH1 ARG 101 1HH1 ARG 101 3.149 18.602 -13.114 1083 2HH1 ARG 101 2HH1 ARG 101 3.081 19.668 -14.488 1084 1HH2 ARG 101 1HH2 ARG 101 3.251 22.606 -12.564 1085 2HH2 ARG 101 2HH2 ARG 101 3.090 21.947 -14.167 1086 H ASP 102 H ASP 102 2.933 16.057 -6.690 1087 HA ASP 102 HA ASP 102 0.843 17.685 -5.753 1088 1HB ASP 102 1HB ASP 102 0.455 15.409 -6.541 1089 2HB ASP 102 2HB ASP 102 1.394 14.762 -5.199 1090 H ARG 103 H ARG 103 3.268 15.791 -3.965 1091 HA ARG 103 HA ARG 103 2.376 16.464 -1.389 1092 1HB ARG 103 1HB ARG 103 3.990 14.648 -1.863 1093 2HB ARG 103 2HB ARG 103 5.206 15.852 -2.268 1094 1HG ARG 103 1HG ARG 103 5.173 16.695 0.004 1095 2HG ARG 103 2HG ARG 103 3.889 15.561 0.426 1096 1HD ARG 103 1HD ARG 103 6.024 14.722 1.199 1097 2HD ARG 103 2HD ARG 103 5.399 13.690 -0.087 1098 HE ARG 103 HE ARG 103 7.064 15.592 -1.271 1099 1HH1 ARG 103 1HH1 ARG 103 7.356 12.943 1.019 1100 2HH1 ARG 103 2HH1 ARG 103 8.993 12.566 0.560 1101 1HH2 ARG 103 1HH2 ARG 103 9.201 15.083 -1.875 1102 2HH2 ARG 103 2HH2 ARG 103 10.027 13.759 -1.103 1103 H ALA 104 H ALA 104 4.663 18.062 -3.559 1104 HA ALA 104 HA ALA 104 5.442 20.090 -1.738 1105 1HB ALA 104 1HB ALA 104 5.494 20.129 -4.754 1106 2HB ALA 104 2HB ALA 104 6.772 19.510 -3.707 1107 3HB ALA 104 3HB ALA 104 6.367 21.227 -3.684 1108 H LEU 105 H LEU 105 2.858 19.837 -4.124 1109 HA LEU 105 HA LEU 105 2.042 22.553 -3.960 1110 1HB LEU 105 1HB LEU 105 0.625 20.077 -4.919 1111 2HB LEU 105 2HB LEU 105 -0.083 21.679 -5.005 1112 HG LEU 105 HG LEU 105 2.463 20.818 -6.378 1113 1HD1 LEU 105 1HD1 LEU 105 0.480 19.795 -7.355 1114 2HD1 LEU 105 2HD1 LEU 105 1.156 21.018 -8.431 1115 3HD1 LEU 105 3HD1 LEU 105 -0.286 21.378 -7.482 1116 1HD2 LEU 105 1HD2 LEU 105 2.346 22.991 -7.479 1117 2HD2 LEU 105 2HD2 LEU 105 2.477 23.174 -5.728 1118 3HD2 LEU 105 3HD2 LEU 105 0.921 23.406 -6.526 1119 H LYS 106 H LYS 106 1.411 19.754 -2.038 1120 HA LYS 106 HA LYS 106 -0.802 20.972 -0.639 1121 1HB LYS 106 1HB LYS 106 0.756 18.437 -0.271 1122 2HB LYS 106 2HB LYS 106 -0.398 18.984 0.942 1123 1HG LYS 106 1HG LYS 106 -2.203 18.843 -0.560 1124 2HG LYS 106 2HG LYS 106 -1.130 18.679 -1.950 1125 1HD LYS 106 1HD LYS 106 -0.417 16.501 -1.165 1126 2HD LYS 106 2HD LYS 106 -1.432 16.671 0.271 1127 1HE LYS 106 1HE LYS 106 -3.413 16.544 -0.976 1128 2HE LYS 106 2HE LYS 106 -2.575 16.856 -2.496 1129 1HZ LYS 106 1HZ LYS 106 -3.230 14.525 -2.232 1130 2HZ LYS 106 2HZ LYS 106 -2.239 14.407 -0.864 1131 3HZ LYS 106 3HZ LYS 106 -1.552 14.715 -2.384 1132 H GLN 107 H GLN 107 2.591 21.102 -0.467 1133 HA GLN 107 HA GLN 107 2.607 22.169 2.243 1134 1HB GLN 107 1HB GLN 107 4.810 21.893 0.187 1135 2HB GLN 107 2HB GLN 107 5.039 22.492 1.825 1136 1HG GLN 107 1HG GLN 107 4.322 20.345 2.721 1137 2HG GLN 107 2HG GLN 107 4.069 19.743 1.082 1138 1HE2 GLN 107 1HE2 GLN 107 6.418 20.689 3.459 1139 2HE2 GLN 107 2HE2 GLN 107 7.789 19.972 2.682 1140 H GLN 108 H GLN 108 3.098 23.195 -1.075 1141 HA GLN 108 HA GLN 108 3.038 26.013 -0.378 1142 1HB GLN 108 1HB GLN 108 4.465 24.936 -2.232 1143 2HB GLN 108 2HB GLN 108 2.970 24.773 -3.137 1144 1HG GLN 108 1HG GLN 108 2.706 27.277 -2.894 1145 2HG GLN 108 2HG GLN 108 4.367 27.295 -2.302 1146 1HE2 GLN 108 1HE2 GLN 108 2.302 26.802 -5.047 1147 2HE2 GLN 108 2HE2 GLN 108 3.551 26.805 -6.249 1148 H LYS 109 H LYS 109 1.505 27.025 -2.484 1149 HA LYS 109 HA LYS 109 -1.052 25.602 -2.399 1150 1HB LYS 109 1HB LYS 109 -0.602 28.555 -1.991 1151 2HB LYS 109 2HB LYS 109 -2.148 27.919 -2.539 1152 1HG LYS 109 1HG LYS 109 -2.226 26.501 -0.503 1153 2HG LYS 109 2HG LYS 109 -0.755 27.298 0.055 1154 1HD LYS 109 1HD LYS 109 -1.876 29.428 0.122 1155 2HD LYS 109 2HD LYS 109 -3.323 28.732 -0.611 1156 1HE LYS 109 1HE LYS 109 -2.177 27.964 2.073 1157 2HE LYS 109 2HE LYS 109 -3.553 29.035 1.822 1158 1HZ LYS 109 1HZ LYS 109 -3.411 26.163 1.063 1159 2HZ LYS 109 2HZ LYS 109 -4.722 27.188 0.749 1160 3HZ LYS 109 3HZ LYS 109 -4.301 26.816 2.349 1161 H LYS 110 H LYS 110 -2.426 26.080 -4.273 1162 HA LYS 110 HA LYS 110 -0.704 26.166 -6.629 1163 1HB LYS 110 1HB LYS 110 -3.616 25.386 -6.397 1164 2HB LYS 110 2HB LYS 110 -2.590 25.166 -7.809 1165 1HG LYS 110 1HG LYS 110 -1.172 23.633 -6.521 1166 2HG LYS 110 2HG LYS 110 -2.243 23.831 -5.134 1167 1HD LYS 110 1HD LYS 110 -4.109 22.951 -6.509 1168 2HD LYS 110 2HD LYS 110 -2.961 22.660 -7.820 1169 1HE LYS 110 1HE LYS 110 -1.667 21.198 -6.307 1170 2HE LYS 110 2HE LYS 110 -2.897 21.434 -5.067 1171 1HZ LYS 110 1HZ LYS 110 -3.321 20.178 -7.727 1172 2HZ LYS 110 2HZ LYS 110 -4.523 20.419 -6.557 1173 3HZ LYS 110 3HZ LYS 110 -3.232 19.365 -6.242 1174 H ALA 111 H ALA 111 -0.467 27.997 -7.667 1175 HA ALA 111 HA ALA 111 -2.652 29.969 -7.605 1176 1HB ALA 111 1HB ALA 111 -0.543 30.757 -6.644 1177 2HB ALA 111 2HB ALA 111 -0.952 31.651 -8.107 1178 3HB ALA 111 3HB ALA 111 0.285 30.396 -8.159 Start of MODEL 6 1 1H5* G 1 1H5* G 1 29.519 2.978 -0.082 2 2H5* G 1 2H5* G 1 28.676 1.419 -0.133 3 H4* G 1 H4* G 1 28.995 2.783 2.102 4 H3* G 1 H3* G 1 27.583 0.576 1.610 5 H1* G 1 H1* G 1 25.629 3.760 2.815 6 H8 G 1 H8 G 1 25.254 2.858 -0.908 7 H1 G 1 H1 G 1 22.055 8.084 0.997 8 1H2 G 1 1H2 G 1 22.526 8.544 3.093 9 2H2 G 1 2H2 G 1 23.636 7.577 4.039 10 H5T G 1 H5T G 1 27.034 3.615 -0.378 11 1H2* G 1 1H2* G 1 25.595 1.563 0.716 12 2H2* G 1 2H2* G 1 25.156 1.470 2.415 13 1H5* G 2 1H5* G 2 26.241 3.664 4.618 14 2H5* G 2 2H5* G 2 26.517 2.820 6.156 15 H4* G 2 H4* G 2 25.008 4.460 6.725 16 H3* G 2 H3* G 2 24.079 1.939 7.049 17 H1* G 2 H1* G 2 21.891 4.682 5.409 18 H8 G 2 H8 G 2 23.093 1.988 2.908 19 H1 G 2 H1 G 2 19.177 6.482 0.525 20 1H2 G 2 1H2 G 2 18.738 7.996 2.063 21 2H2 G 2 2H2 G 2 19.409 7.909 3.678 22 1H2* G 2 1H2* G 2 22.758 1.776 5.065 23 2H2* G 2 2H2* G 2 21.563 2.437 6.172 24 1H5* C 3 1H5* C 3 21.877 5.320 8.262 25 2H5* C 3 2H5* C 3 21.313 5.666 9.910 26 H4* C 3 H4* C 3 19.736 6.729 8.650 27 H3* C 3 H3* C 3 18.742 4.561 9.994 28 H1* C 3 H1* C 3 17.759 5.532 6.462 29 1H4 C 3 1H4 C 3 18.617 1.880 1.378 30 2H4 C 3 2H4 C 3 19.599 0.738 2.267 31 H5 C 3 H5 C 3 20.143 1.019 4.616 32 H6 C 3 H6 C 3 19.854 2.451 6.571 33 1H2* C 3 1H2* C 3 18.593 3.083 8.109 34 2H2* C 3 2H2* C 3 17.007 3.840 8.055 35 1H5* T 4 1H5* T 4 15.620 8.181 9.332 36 2H5* T 4 2H5* T 4 13.983 7.906 9.960 37 H4* T 4 H4* T 4 14.291 8.921 7.618 38 H3* T 4 H3* T 4 12.161 7.563 8.692 39 1H2* T 4 1H2* T 4 12.581 5.442 7.680 40 2H2* T 4 2H2* T 4 11.633 6.196 6.406 41 H1* T 4 H1* T 4 13.599 6.930 5.205 42 H3 T 4 H3 T 4 14.693 3.177 3.068 43 1H5M T 4 1H5M T 4 16.986 2.046 7.274 44 2H5M T 4 2H5M T 4 15.556 2.288 8.305 45 3H5M T 4 3H5M T 4 15.568 0.986 7.093 46 H6 T 4 H6 T 4 14.865 4.459 7.659 47 1H5* C 5 1H5* C 5 12.036 8.552 3.498 48 2H5* C 5 2H5* C 5 10.899 9.767 4.121 49 H4* C 5 H4* C 5 10.149 9.243 1.967 50 H3* C 5 H3* C 5 8.368 8.979 3.923 51 H1* C 5 H1* C 5 8.893 5.871 1.561 52 1H4 C 5 1H4 C 5 12.063 0.898 3.863 53 2H4 C 5 2H4 C 5 12.112 1.610 5.463 54 H5 C 5 H5 C 5 11.290 3.832 5.939 55 H6 C 5 H6 C 5 10.205 5.802 5.000 56 1H2* C 5 1H2* C 5 8.708 6.676 4.480 57 2H2* C 5 2H2* C 5 7.423 6.518 3.292 58 1H5* A 6 1H5* A 6 6.178 9.429 -0.397 59 2H5* A 6 2H5* A 6 4.428 9.134 -0.476 60 H4* A 6 H4* A 6 6.044 7.788 -1.978 61 H3* A 6 H3* A 6 3.480 7.228 -1.174 62 H1* A 6 H1* A 6 6.385 4.696 -1.070 63 H8 A 6 H8 A 6 5.772 6.113 2.493 64 1H6 A 6 1H6 A 6 8.483 0.914 4.478 65 2H6 A 6 2H6 A 6 7.781 2.444 4.955 66 H2 A 6 H2 A 6 8.222 0.728 -0.003 67 1H2* A 6 1H2* A 6 3.989 5.672 0.558 68 2H2* A 6 2H2* A 6 4.004 4.574 -0.815 69 1H5* G 7 1H5* G 7 5.983 3.299 -3.211 70 2H5* G 7 2H5* G 7 4.854 3.302 -4.582 71 H4* G 7 H4* G 7 5.254 1.062 -4.242 72 H3* G 7 H3* G 7 2.661 1.921 -3.576 73 H1* G 7 H1* G 7 4.797 -0.806 -1.815 74 H8 G 7 H8 G 7 4.174 2.361 0.352 75 H1 G 7 H1 G 7 6.191 -2.870 3.483 76 1H2 G 7 1H2 G 7 6.429 -4.543 2.067 77 2H2 G 7 2H2 G 7 6.079 -4.376 0.363 78 1H2* G 7 1H2* G 7 2.631 1.284 -1.318 79 2H2* G 7 2H2* G 7 2.474 -0.343 -1.969 80 1H5* G 8 1H5* G 8 4.831 -2.095 -3.181 81 2H5* G 8 2H5* G 8 4.356 -2.111 -4.890 82 H4* G 8 H4* G 8 5.262 -4.201 -4.626 83 H3* G 8 H3* G 8 2.706 -4.324 -5.281 84 H1* G 8 H1* G 8 3.620 -6.089 -1.768 85 H8 G 8 H8 G 8 1.990 -2.603 -1.939 86 H1 G 8 H1 G 8 3.415 -4.728 3.951 87 1H2 G 8 1H2 G 8 4.524 -6.632 3.818 88 2H2 G 8 2H2 G 8 4.909 -7.383 2.287 89 1H2* G 8 1H2* G 8 1.634 -4.343 -3.167 90 2H2* G 8 2H2* G 8 1.904 -6.075 -3.317 91 1H5* G 9 1H5* G 9 4.171 -7.172 -3.056 92 2H5* G 9 2H5* G 9 4.674 -8.769 -3.651 93 H4* G 9 H4* G 9 4.318 -9.384 -1.542 94 H3* G 9 H3* G 9 1.998 -9.992 -3.000 95 H1* G 9 H1* G 9 2.340 -8.828 0.604 96 H8 G 9 H8 G 9 0.541 -6.095 -1.497 97 H1 G 9 H1 G 9 0.242 -5.449 4.886 98 1H2 G 9 1H2 G 9 1.348 -7.095 5.861 99 2H2 G 9 2H2 G 9 2.155 -8.345 4.941 100 1H2* G 9 1H2* G 9 0.534 -8.518 -1.854 101 2H2* G 9 2H2* G 9 0.538 -9.827 -0.680 102 1H5* C 10 1H5* C 10 3.275 -11.559 0.689 103 2H5* C 10 2H5* C 10 3.540 -13.300 0.926 104 H4* C 10 H4* C 10 3.309 -12.522 3.072 105 H3* C 10 H3* C 10 1.255 -14.175 2.219 106 H1* C 10 H1* C 10 0.860 -11.061 4.475 107 1H4 C 10 1H4 C 10 -3.136 -6.470 2.731 108 2H4 C 10 2H4 C 10 -2.937 -6.850 1.035 109 H5 C 10 H5 C 10 -1.553 -8.674 0.250 110 H6 C 10 H6 C 10 -0.076 -10.490 0.931 111 1H2* C 10 1H2* C 10 -0.502 -12.586 2.203 112 2H2* C 10 2H2* C 10 -0.513 -12.950 3.924 113 1H5* C 11 1H5* C 11 0.795 -12.226 6.501 114 2H5* C 11 2H5* C 11 1.662 -13.644 7.127 115 H4* C 11 H4* C 11 0.598 -13.119 9.019 116 H3* C 11 H3* C 11 -0.668 -15.234 7.981 117 H1* C 11 H1* C 11 -2.893 -12.023 8.833 118 1H4 C 11 1H4 C 11 -4.958 -8.940 3.727 119 2H4 C 11 2H4 C 11 -4.156 -10.056 2.641 120 H5 C 11 H5 C 11 -2.758 -11.879 3.431 121 H6 C 11 H6 C 11 -1.876 -12.994 5.409 122 1H2* C 11 1H2* C 11 -2.464 -14.221 6.824 123 2H2* C 11 2H2* C 11 -3.211 -14.283 8.416 124 1H5* A 12 1H5* A 12 -2.712 -12.046 10.412 125 2H5* A 12 2H5* A 12 -2.500 -12.907 11.950 126 H4* A 12 H4* A 12 -4.142 -11.451 12.528 127 H3* A 12 H3* A 12 -5.068 -13.971 12.478 128 H1* A 12 H1* A 12 -7.095 -11.165 10.677 129 H8 A 12 H8 A 12 -5.055 -13.429 8.268 130 1H6 A 12 1H6 A 12 -8.221 -10.592 3.769 131 2H6 A 12 2H6 A 12 -7.031 -11.823 4.136 132 H2 A 12 H2 A 12 -9.441 -8.777 7.690 133 1H2* A 12 1H2* A 12 -6.026 -13.989 10.290 134 2H2* A 12 2H2* A 12 -7.416 -13.458 11.227 135 1H5* C 13 1H5* C 13 -7.389 -10.592 13.748 136 2H5* C 13 2H5* C 13 -8.160 -10.634 15.348 137 H4* C 13 H4* C 13 -9.300 -8.989 14.153 138 H3* C 13 H3* C 13 -10.773 -11.059 15.108 139 H1* C 13 H1* C 13 -11.279 -9.690 11.516 140 1H4 C 13 1H4 C 13 -10.104 -13.395 6.531 141 2H4 C 13 2H4 C 13 -9.144 -14.503 7.485 142 H5 C 13 H5 C 13 -8.804 -14.230 9.870 143 H6 C 13 H6 C 13 -9.258 -12.804 11.794 144 1H2* C 13 1H2* C 13 -11.039 -12.296 13.086 145 2H2* C 13 2H2* C 13 -12.424 -11.222 12.960 146 1H5* A 14 1H5* A 14 -12.900 -7.703 13.333 147 2H5* A 14 2H5* A 14 -13.771 -6.677 14.492 148 H4* A 14 H4* A 14 -15.109 -6.311 12.740 149 H3* A 14 H3* A 14 -16.351 -8.085 14.375 150 H1* A 14 H1* A 14 -16.235 -8.589 10.537 151 H8 A 14 H8 A 14 -13.909 -11.045 12.444 152 1H6 A 14 1H6 A 14 -13.440 -13.986 7.021 153 2H6 A 14 2H6 A 14 -12.986 -14.004 8.712 154 H2 A 14 H2 A 14 -15.961 -10.322 6.405 155 1H2* A 14 1H2* A 14 -15.881 -10.089 13.173 156 2H2* A 14 2H2* A 14 -17.375 -9.613 12.378 157 1H5* G 15 1H5* G 15 -17.128 -7.723 9.748 158 2H5* G 15 2H5* G 15 -17.826 -6.299 10.548 159 H4* G 15 H4* G 15 -18.771 -5.969 8.556 160 H3* G 15 H3* G 15 -20.679 -6.939 10.144 161 H1* G 15 H1* G 15 -19.883 -9.220 6.849 162 H8 G 15 H8 G 15 -18.405 -9.719 10.399 163 H1 G 15 H1 G 15 -17.516 -14.539 6.248 164 1H2 G 15 1H2 G 15 -18.373 -14.007 4.287 165 2H2 G 15 2H2 G 15 -19.166 -12.475 3.997 166 H3T G 15 H3T G 15 -22.058 -6.213 8.628 167 1H2* G 15 1H2* G 15 -20.780 -9.225 9.659 168 2H2* G 15 2H2* G 15 -21.644 -8.718 8.215 169 1H5* C 16 1H5* C 16 -18.766 -21.791 1.717 170 2H5* C 16 2H5* C 16 -17.362 -21.846 0.636 171 H4* C 16 H4* C 16 -18.851 -19.797 0.542 172 H3* C 16 H3* C 16 -16.137 -19.999 0.037 173 H1* C 16 H1* C 16 -17.852 -17.176 2.003 174 1H4 C 16 1H4 C 16 -16.056 -15.775 7.900 175 2H4 C 16 2H4 C 16 -15.180 -17.276 8.070 176 H5 C 16 H5 C 16 -15.098 -18.957 6.328 177 H6 C 16 H6 C 16 -15.800 -19.512 4.061 178 H5T C 16 H5T C 16 -17.313 -21.037 3.363 179 1H2* C 16 1H2* C 16 -15.340 -18.921 1.995 180 2H2* C 16 2H2* C 16 -15.673 -17.491 1.027 181 1H5* T 17 1H5* T 17 -18.221 -16.065 0.879 182 2H5* T 17 2H5* T 17 -18.700 -16.095 -0.831 183 H4* T 17 H4* T 17 -19.167 -13.946 -0.465 184 H3* T 17 H3* T 17 -16.871 -13.990 -1.827 185 1H2* T 17 1H2* T 17 -15.305 -13.892 -0.032 186 2H2* T 17 2H2* T 17 -15.527 -12.171 -0.313 187 H1* T 17 H1* T 17 -16.985 -11.898 1.518 188 H3 T 17 H3 T 17 -15.081 -12.703 5.472 189 1H5M T 17 1H5M T 17 -14.579 -17.247 2.811 190 2H5M T 17 2H5M T 17 -13.619 -16.865 4.260 191 3H5M T 17 3H5M T 17 -13.010 -16.422 2.648 192 H6 T 17 H6 T 17 -15.391 -15.235 1.440 193 1H5* G 18 1H5* G 18 -17.668 -10.497 0.785 194 2H5* G 18 2H5* G 18 -18.183 -9.256 -0.377 195 H4* G 18 H4* G 18 -17.440 -7.912 1.273 196 H3* G 18 H3* G 18 -15.657 -7.935 -0.816 197 H1* G 18 H1* G 18 -14.645 -7.970 2.897 198 H8 G 18 H8 G 18 -13.696 -11.237 1.062 199 H1 G 18 H1 G 18 -11.793 -10.818 7.179 200 1H2 G 18 1H2 G 18 -12.560 -8.956 8.085 201 2H2 G 18 2H2 G 18 -13.541 -7.819 7.187 202 1H2* G 18 1H2* G 18 -13.947 -9.244 0.204 203 2H2* G 18 2H2* G 18 -13.489 -7.658 0.806 204 1H5* T 19 1H5* T 19 -15.883 -5.355 2.418 205 2H5* T 19 2H5* T 19 -15.783 -3.582 2.472 206 H4* T 19 H4* T 19 -15.211 -4.409 4.613 207 H3* T 19 H3* T 19 -13.446 -2.775 3.232 208 1H2* T 19 1H2* T 19 -11.702 -4.342 2.889 209 2H2* T 19 2H2* T 19 -11.309 -3.897 4.545 210 H1* T 19 H1* T 19 -12.504 -5.757 5.479 211 H3 T 19 H3 T 19 -9.576 -9.051 4.831 212 1H5M T 19 1H5M T 19 -10.013 -8.778 0.214 213 2H5M T 19 2H5M T 19 -11.718 -9.260 0.370 214 3H5M T 19 3H5M T 19 -11.304 -7.578 -0.036 215 H6 T 19 H6 T 19 -12.329 -6.533 1.861 216 1H5* G 20 1H5* G 20 -12.428 -4.041 7.562 217 2H5* G 20 2H5* G 20 -12.892 -2.497 8.309 218 H4* G 20 H4* G 20 -11.479 -3.267 9.895 219 H3* G 20 H3* G 20 -10.356 -1.204 8.539 220 H1* G 20 H1* G 20 -8.335 -4.444 9.314 221 H8 G 20 H8 G 20 -9.392 -4.076 5.599 222 H1 G 20 H1 G 20 -5.300 -8.837 6.938 223 1H2 G 20 1H2 G 20 -4.922 -8.918 9.112 224 2H2 G 20 2H2 G 20 -5.677 -7.801 10.229 225 1H2* G 20 1H2* G 20 -8.891 -2.414 7.113 226 2H2* G 20 2H2* G 20 -7.844 -2.261 8.517 227 1H5* G 21 1H5* G 21 -7.869 -4.228 10.525 228 2H5* G 21 2H5* G 21 -8.059 -3.410 12.089 229 H4* G 21 H4* G 21 -6.336 -4.700 12.672 230 H3* G 21 H3* G 21 -5.355 -2.236 12.283 231 H1* G 21 H1* G 21 -3.576 -5.269 10.607 232 H8 G 21 H8 G 21 -5.737 -3.182 8.156 233 H1 G 21 H1 G 21 -2.137 -7.802 5.518 234 1H2 G 21 1H2 G 21 -1.068 -8.917 7.093 235 2H2 G 21 2H2 G 21 -1.240 -8.529 8.791 236 1H2* G 21 1H2* G 21 -4.626 -2.471 10.015 237 2H2* G 21 2H2* G 21 -3.158 -2.941 10.863 238 1H5* C 22 1H5* C 22 -2.768 -5.920 11.314 239 2H5* C 22 2H5* C 22 -2.674 -5.931 13.087 240 H4* C 22 H4* C 22 -0.968 -7.320 12.725 241 H3* C 22 H3* C 22 0.112 -4.980 13.391 242 H1* C 22 H1* C 22 1.305 -6.567 9.919 243 1H4 C 22 1H4 C 22 -1.092 -3.757 4.795 244 2H4 C 22 2H4 C 22 -1.959 -2.588 5.760 245 H5 C 22 H5 C 22 -1.968 -2.624 8.179 246 H6 C 22 H6 C 22 -1.127 -3.777 10.156 247 1H2* C 22 1H2* C 22 0.502 -4.000 11.264 248 2H2* C 22 2H2* C 22 1.997 -4.917 11.396 249 1H5* C 23 1H5* C 23 2.160 -7.663 10.914 250 2H5* C 23 2H5* C 23 3.265 -8.615 11.926 251 H4* C 23 H4* C 23 4.218 -9.035 9.942 252 H3* C 23 H3* C 23 5.711 -7.127 11.269 253 H1* C 23 H1* C 23 4.930 -7.091 7.474 254 1H4 C 23 1H4 C 23 1.931 -2.122 4.960 255 2H4 C 23 2H4 C 23 1.437 -1.528 6.531 256 H5 C 23 H5 C 23 2.011 -2.654 8.601 257 H6 C 23 H6 C 23 3.153 -4.582 9.572 258 1H2* C 23 1H2* C 23 5.227 -5.257 9.898 259 2H2* C 23 2H2* C 23 6.488 -5.974 8.904 260 1H5* C 24 1H5* C 24 6.934 -9.630 8.041 261 2H5* C 24 2H5* C 24 8.482 -10.501 8.007 262 H4* C 24 H4* C 24 7.752 -10.251 5.772 263 H3* C 24 H3* C 24 10.244 -9.442 6.444 264 H1* C 24 H1* C 24 7.982 -7.314 4.205 265 1H4 C 24 1H4 C 24 6.036 -1.540 5.864 266 2H4 C 24 2H4 C 24 6.456 -1.797 7.542 267 H5 C 24 H5 C 24 7.385 -3.878 8.364 268 H6 C 24 H6 C 24 8.122 -6.118 7.737 269 1H2* C 24 1H2* C 24 9.778 -7.100 6.673 270 2H2* C 24 2H2* C 24 10.265 -7.173 4.985 271 1H5* T 25 1H5* T 25 8.273 -7.296 2.775 272 2H5* T 25 2H5* T 25 8.860 -8.671 1.816 273 H4* T 25 H4* T 25 8.768 -7.207 0.134 274 H3* T 25 H3* T 25 11.368 -7.375 0.933 275 1H2* T 25 1H2* T 25 11.532 -5.338 2.146 276 2H2* T 25 2H2* T 25 11.884 -4.726 0.536 277 H1* T 25 H1* T 25 9.648 -3.979 0.170 278 H3 T 25 H3 T 25 8.747 -0.407 2.668 279 1H5M T 25 1H5M T 25 10.268 -2.323 6.525 280 2H5M T 25 2H5M T 25 9.520 -3.927 6.334 281 3H5M T 25 3H5M T 25 11.241 -3.694 5.942 282 H6 T 25 H6 T 25 10.373 -4.766 3.722 283 1H5* G 26 1H5* G 26 10.793 -6.468 -3.773 284 2H5* G 26 2H5* G 26 12.285 -6.594 -4.728 285 H4* G 26 H4* G 26 11.019 -4.489 -5.060 286 H3* G 26 H3* G 26 13.755 -4.736 -4.968 287 H1* G 26 H1* G 26 11.762 -1.911 -3.337 288 H8 G 26 H8 G 26 13.185 -4.300 -0.624 289 H1 G 26 H1 G 26 11.019 1.381 1.451 290 1H2 G 26 1H2 G 26 10.225 2.549 -0.244 291 2H2 G 26 2H2 G 26 10.227 1.932 -1.882 292 1H2* G 26 1H2* G 26 14.089 -3.825 -2.789 293 2H2* G 26 2H2* G 26 14.113 -2.342 -3.734 294 1H5* A 27 1H5* A 27 11.339 -0.831 -4.014 295 2H5* A 27 2H5* A 27 11.247 -0.972 -5.783 296 H4* A 27 H4* A 27 10.532 1.144 -5.559 297 H3* A 27 H3* A 27 12.960 1.140 -6.656 298 H1* A 27 H1* A 27 12.543 3.327 -3.288 299 H8 A 27 H8 A 27 14.166 -0.194 -3.271 300 1H6 A 27 1H6 A 27 15.402 0.972 2.682 301 2H6 A 27 2H6 A 27 15.587 -0.175 1.372 302 H2 A 27 H2 A 27 13.074 4.441 1.035 303 1H2* A 27 1H2* A 27 14.383 1.537 -4.819 304 2H2* A 27 2H2* A 27 13.945 3.215 -5.113 305 1H5* G 28 1H5* G 28 11.775 4.144 -4.158 306 2H5* G 28 2H5* G 28 10.798 5.102 -5.290 307 H4* G 28 H4* G 28 10.828 6.595 -3.631 308 H3* G 28 H3* G 28 12.526 7.497 -5.476 309 H1* G 28 H1* G 28 13.771 7.274 -1.795 310 H8 G 28 H8 G 28 14.985 4.312 -3.989 311 H1 G 28 H1 G 28 17.329 4.600 1.983 312 1H2 G 28 1H2 G 28 16.464 6.332 3.044 313 2H2 G 28 2H2 G 28 15.309 7.406 2.287 314 1H2* G 28 1H2* G 28 14.545 6.491 -4.635 315 2H2* G 28 2H2* G 28 14.619 8.076 -3.875 316 1H5* C 29 1H5* C 29 12.244 9.828 -1.872 317 2H5* C 29 2H5* C 29 12.076 11.591 -1.745 318 H4* C 29 H4* C 29 13.611 11.087 -0.110 319 H3* C 29 H3* C 29 14.660 12.511 -2.310 320 H1* C 29 H1* C 29 16.289 9.958 -0.016 321 1H4 C 29 1H4 C 29 19.468 4.938 -2.183 322 2H4 C 29 2H4 C 29 18.824 5.129 -3.800 323 H5 C 29 H5 C 29 17.272 6.896 -4.394 324 H6 C 29 H6 C 29 16.032 8.824 -3.561 325 1H2* C 29 1H2* C 29 16.287 10.908 -2.932 326 2H2* C 29 2H2* C 29 17.155 11.612 -1.575 327 1H5* C 30 1H5* C 30 15.893 12.983 2.074 328 2H5* C 30 2H5* C 30 16.306 14.676 2.419 329 H4* C 30 H4* C 30 17.354 13.276 4.039 330 H3* C 30 H3* C 30 18.780 15.159 2.733 331 H1* C 30 H1* C 30 20.182 11.539 3.111 332 1H4 C 30 1H4 C 30 21.096 8.115 -2.133 333 2H4 C 30 2H4 C 30 20.028 9.133 -3.070 334 H5 C 30 H5 C 30 18.876 11.045 -2.134 335 H6 C 30 H6 C 30 18.526 12.371 -0.118 336 H3T C 30 H3T C 30 19.352 13.389 4.829 337 1H2* C 30 1H2* C 30 19.840 13.798 1.095 338 2H2* C 30 2H2* C 30 21.015 13.649 2.395 339 1H ASP 10 1H ASP 10 -6.555 11.801 10.732 340 HA ASP 10 HA ASP 10 -6.147 14.627 10.550 341 1HB ASP 10 1HB ASP 10 -4.250 13.119 10.836 342 2HB ASP 10 2HB ASP 10 -4.625 12.336 9.306 343 H GLU 11 H GLU 11 -6.115 12.235 7.985 344 HA GLU 11 HA GLU 11 -7.877 13.970 6.406 345 1HB GLU 11 1HB GLU 11 -5.484 12.432 5.366 346 2HB GLU 11 2HB GLU 11 -6.658 13.265 4.362 347 1HG GLU 11 1HG GLU 11 -6.050 15.378 5.375 348 2HG GLU 11 2HG GLU 11 -4.864 14.560 6.386 349 H LEU 12 H LEU 12 -9.254 12.849 4.934 350 HA LEU 12 HA LEU 12 -9.747 10.093 5.814 351 1HB LEU 12 1HB LEU 12 -11.632 12.187 4.749 352 2HB LEU 12 2HB LEU 12 -12.079 10.503 4.933 353 HG LEU 12 HG LEU 12 -11.216 12.323 7.184 354 1HD1 LEU 12 1HD1 LEU 12 -13.560 12.221 7.875 355 2HD1 LEU 12 2HD1 LEU 12 -13.947 11.289 6.428 356 3HD1 LEU 12 3HD1 LEU 12 -13.390 12.956 6.281 357 1HD2 LEU 12 1HD2 LEU 12 -12.014 10.482 8.618 358 2HD2 LEU 12 2HD2 LEU 12 -10.633 10.013 7.625 359 3HD2 LEU 12 3HD2 LEU 12 -12.259 9.491 7.180 360 H CYS 13 H CYS 13 -9.773 8.488 4.432 361 HA CYS 13 HA CYS 13 -8.783 8.764 1.803 362 1HB CYS 13 1HB CYS 13 -8.559 6.719 3.217 363 2HB CYS 13 2HB CYS 13 -10.285 6.435 3.033 364 HG CYS 13 HG CYS 13 -8.164 6.543 0.359 365 HA PRO 14 HA PRO 14 -12.588 10.357 0.125 366 1HB PRO 14 1HB PRO 14 -11.804 10.252 -2.509 367 2HB PRO 14 2HB PRO 14 -11.382 11.553 -1.393 368 1HG PRO 14 1HG PRO 14 -9.767 9.179 -2.236 369 2HG PRO 14 2HG PRO 14 -9.252 10.861 -2.005 370 1HD PRO 14 1HD PRO 14 -8.757 8.972 -0.163 371 2HD PRO 14 2HD PRO 14 -9.146 10.642 0.300 372 H VAL 15 H VAL 15 -11.242 7.277 -0.510 373 HA VAL 15 HA VAL 15 -13.415 6.394 -2.201 374 HB VAL 15 HB VAL 15 -11.204 4.769 -0.939 375 1HG1 VAL 15 1HG1 VAL 15 -11.799 3.092 -2.641 376 2HG1 VAL 15 2HG1 VAL 15 -13.169 4.095 -3.121 377 3HG1 VAL 15 3HG1 VAL 15 -13.111 3.395 -1.502 378 1HG2 VAL 15 1HG2 VAL 15 -10.300 6.435 -2.445 379 2HG2 VAL 15 2HG2 VAL 15 -11.431 5.936 -3.704 380 3HG2 VAL 15 3HG2 VAL 15 -10.170 4.829 -3.162 381 H CYS 16 H CYS 16 -12.156 5.398 0.998 382 HA CYS 16 HA CYS 16 -14.637 3.918 1.416 383 1HB CYS 16 1HB CYS 16 -13.415 2.806 3.235 384 2HB CYS 16 2HB CYS 16 -12.546 2.702 1.707 385 HG CYS 16 HG CYS 16 -11.514 3.871 4.588 386 H GLY 17 H GLY 17 -13.189 6.847 2.413 387 1HA GLY 17 1HA GLY 17 -13.865 8.423 3.950 388 2HA GLY 17 2HA GLY 17 -15.316 7.462 4.208 389 H ASP 18 H ASP 18 -11.827 7.150 4.826 390 HA ASP 18 HA ASP 18 -12.236 6.912 7.655 391 1HB ASP 18 1HB ASP 18 -12.611 4.553 6.409 392 2HB ASP 18 2HB ASP 18 -10.858 4.511 6.566 393 H LYS 19 H LYS 19 -9.847 5.778 8.383 394 HA LYS 19 HA LYS 19 -8.099 7.948 8.163 395 1HB LYS 19 1HB LYS 19 -7.147 5.155 8.747 396 2HB LYS 19 2HB LYS 19 -6.553 6.673 9.403 397 1HG LYS 19 1HG LYS 19 -9.202 5.389 10.019 398 2HG LYS 19 2HG LYS 19 -7.788 5.429 11.071 399 1HD LYS 19 1HD LYS 19 -7.947 7.819 11.280 400 2HD LYS 19 2HD LYS 19 -9.244 7.878 10.081 401 1HE LYS 19 1HE LYS 19 -9.398 6.440 12.728 402 2HE LYS 19 2HE LYS 19 -10.062 8.042 12.413 403 1HZ LYS 19 1HZ LYS 19 -10.859 5.709 10.770 404 2HZ LYS 19 2HZ LYS 19 -11.673 7.183 10.994 405 3HZ LYS 19 3HZ LYS 19 -11.619 6.047 12.250 406 H VAL 20 H VAL 20 -5.854 7.899 7.324 407 HA VAL 20 HA VAL 20 -5.631 6.391 4.809 408 HB VAL 20 HB VAL 20 -4.583 8.309 3.725 409 1HG1 VAL 20 1HG1 VAL 20 -6.553 9.744 3.503 410 2HG1 VAL 20 2HG1 VAL 20 -7.257 8.989 4.933 411 3HG1 VAL 20 3HG1 VAL 20 -6.979 8.032 3.479 412 1HG2 VAL 20 1HG2 VAL 20 -3.608 9.411 5.659 413 2HG2 VAL 20 2HG2 VAL 20 -5.216 9.817 6.261 414 3HG2 VAL 20 3HG2 VAL 20 -4.628 10.536 4.760 415 H SER 21 H SER 21 -3.473 5.960 4.106 416 HA SER 21 HA SER 21 -1.568 5.798 6.306 417 1HB SER 21 1HB SER 21 -1.334 4.709 3.488 418 2HB SER 21 2HB SER 21 -0.327 4.283 4.872 419 HG SER 21 HG SER 21 -2.453 3.615 5.846 420 H GLY 22 H GLY 22 -2.376 7.958 3.956 421 1HA GLY 22 1HA GLY 22 -1.031 10.030 3.944 422 2HA GLY 22 2HA GLY 22 0.381 8.996 3.766 423 H TYR 23 H TYR 23 0.888 10.215 1.842 424 HA TYR 23 HA TYR 23 -0.852 10.192 -0.407 425 1HB TYR 23 1HB TYR 23 1.935 11.030 0.117 426 2HB TYR 23 2HB TYR 23 1.568 10.577 -1.545 427 HD1 TYR 23 HD1 TYR 23 0.950 13.004 1.115 428 HD2 TYR 23 HD2 TYR 23 -0.013 11.863 -2.870 429 HE1 TYR 23 HE1 TYR 23 -0.045 15.218 0.728 430 HE2 TYR 23 HE2 TYR 23 -1.010 14.075 -3.268 431 HH TYR 23 HH TYR 23 -1.897 15.934 -2.103 432 H HIS 24 H HIS 24 -1.481 8.355 -1.255 433 HA HIS 24 HA HIS 24 0.574 6.439 -2.081 434 1HB HIS 24 1HB HIS 24 -0.421 5.619 0.017 435 2HB HIS 24 2HB HIS 24 -2.022 5.714 -0.707 436 HD1 HIS 24 HD1 HIS 24 1.244 3.843 -1.134 437 HD2 HIS 24 HD2 HIS 24 -2.788 3.496 -2.067 438 HE1 HIS 24 HE1 HIS 24 0.974 1.528 -2.076 439 HE2 HIS 24 HE2 HIS 24 -1.427 1.424 -2.826 440 H TYR 25 H TYR 25 0.483 6.380 -4.188 441 HA TYR 25 HA TYR 25 -0.242 6.172 -6.327 442 1HB TYR 25 1HB TYR 25 -2.948 5.632 -5.076 443 2HB TYR 25 2HB TYR 25 -2.624 5.547 -6.802 444 HD1 TYR 25 HD1 TYR 25 -3.786 3.249 -5.809 445 HD2 TYR 25 HD2 TYR 25 0.306 4.363 -5.488 446 HE1 TYR 25 HE1 TYR 25 -3.173 0.886 -5.551 447 HE2 TYR 25 HE2 TYR 25 0.932 1.998 -5.232 448 HH TYR 25 HH TYR 25 -1.114 -0.547 -5.918 449 H GLY 26 H GLY 26 -0.392 8.662 -4.630 450 1HA GLY 26 1HA GLY 26 -0.546 10.852 -5.520 451 2HA GLY 26 2HA GLY 26 -1.729 10.270 -6.681 452 H LEU 27 H LEU 27 -2.931 8.831 -4.214 453 HA LEU 27 HA LEU 27 -4.484 11.149 -3.269 454 1HB LEU 27 1HB LEU 27 -5.240 8.296 -3.824 455 2HB LEU 27 2HB LEU 27 -6.213 9.303 -2.769 456 HG LEU 27 HG LEU 27 -5.566 10.139 -5.582 457 1HD1 LEU 27 1HD1 LEU 27 -7.741 9.214 -6.225 458 2HD1 LEU 27 2HD1 LEU 27 -7.909 8.507 -4.617 459 3HD1 LEU 27 3HD1 LEU 27 -6.630 7.951 -5.695 460 1HD2 LEU 27 1HD2 LEU 27 -7.627 11.453 -5.272 461 2HD2 LEU 27 2HD2 LEU 27 -6.380 11.872 -4.096 462 3HD2 LEU 27 3HD2 LEU 27 -7.737 10.852 -3.616 463 H LEU 28 H LEU 28 -5.294 11.018 -1.072 464 HA LEU 28 HA LEU 28 -3.483 9.721 0.758 465 1HB LEU 28 1HB LEU 28 -6.052 11.234 1.297 466 2HB LEU 28 2HB LEU 28 -4.962 10.643 2.528 467 HG LEU 28 HG LEU 28 -4.553 12.955 2.341 468 1HD1 LEU 28 1HD1 LEU 28 -2.539 11.623 2.535 469 2HD1 LEU 28 2HD1 LEU 28 -2.238 13.080 1.587 470 3HD1 LEU 28 3HD1 LEU 28 -2.417 11.522 0.778 471 1HD2 LEU 28 1HD2 LEU 28 -4.043 14.102 0.255 472 2HD2 LEU 28 2HD2 LEU 28 -5.638 13.352 0.190 473 3HD2 LEU 28 3HD2 LEU 28 -4.276 12.601 -0.641 474 H THR 29 H THR 29 -3.699 7.529 0.518 475 HA THR 29 HA THR 29 -6.380 6.442 1.035 476 HB THR 29 HB THR 29 -5.811 4.564 -0.508 477 HG1 THR 29 HG1 THR 29 -3.901 6.055 -1.839 478 1HG2 THR 29 1HG2 THR 29 -5.797 7.335 -1.726 479 2HG2 THR 29 2HG2 THR 29 -7.228 6.420 -1.244 480 3HG2 THR 29 3HG2 THR 29 -6.219 5.842 -2.569 481 H CYS 30 H CYS 30 -6.353 4.208 1.856 482 HA CYS 30 HA CYS 30 -4.183 3.970 3.811 483 1HB CYS 30 1HB CYS 30 -6.081 2.455 4.895 484 2HB CYS 30 2HB CYS 30 -6.054 4.205 5.098 485 HG CYS 30 HG CYS 30 -8.501 4.390 4.389 486 H GLU 31 H GLU 31 -3.998 1.668 4.692 487 HA GLU 31 HA GLU 31 -2.927 0.064 2.634 488 1HB GLU 31 1HB GLU 31 -2.368 -1.516 4.375 489 2HB GLU 31 2HB GLU 31 -2.051 0.110 4.949 490 1HG GLU 31 1HG GLU 31 -4.406 -1.623 5.682 491 2HG GLU 31 2HG GLU 31 -3.025 -1.231 6.705 492 H SER 32 H SER 32 -5.933 -0.082 4.448 493 HA SER 32 HA SER 32 -6.832 -2.586 3.586 494 1HB SER 32 1HB SER 32 -8.488 -0.127 4.206 495 2HB SER 32 2HB SER 32 -9.053 -1.798 4.228 496 HG SER 32 HG SER 32 -7.067 -0.646 5.920 497 H CYS 33 H CYS 33 -7.157 0.616 2.120 498 HA CYS 33 HA CYS 33 -8.814 -0.322 -0.017 499 1HB CYS 33 1HB CYS 33 -7.359 2.294 0.383 500 2HB CYS 33 2HB CYS 33 -8.448 1.964 -0.963 501 HG CYS 33 HG CYS 33 -9.187 3.134 1.962 502 H LYS 34 H LYS 34 -5.361 0.538 0.290 503 HA LYS 34 HA LYS 34 -4.732 0.145 -2.428 504 1HB LYS 34 1HB LYS 34 -2.434 0.060 -1.795 505 2HB LYS 34 2HB LYS 34 -3.215 1.222 -0.735 506 1HG LYS 34 1HG LYS 34 -3.183 -0.295 1.089 507 2HG LYS 34 2HG LYS 34 -2.694 -1.632 0.049 508 1HD LYS 34 1HD LYS 34 -0.566 -0.449 -0.402 509 2HD LYS 34 2HD LYS 34 -1.059 0.811 0.733 510 1HE LYS 34 1HE LYS 34 -1.123 -0.800 2.542 511 2HE LYS 34 2HE LYS 34 -0.746 -2.110 1.423 512 1HZ LYS 34 1HZ LYS 34 1.039 0.176 2.065 513 2HZ LYS 34 2HZ LYS 34 1.399 -1.089 0.998 514 3HZ LYS 34 3HZ LYS 34 1.208 -1.405 2.648 515 H GLY 35 H GLY 35 -4.968 -2.079 0.282 516 1HA GLY 35 1HA GLY 35 -3.931 -4.366 -0.992 517 2HA GLY 35 2HA GLY 35 -5.054 -4.367 0.362 518 H PHE 36 H PHE 36 -7.313 -3.351 -0.522 519 HA PHE 36 HA PHE 36 -8.462 -5.415 -2.031 520 1HB PHE 36 1HB PHE 36 -9.816 -4.091 -0.532 521 2HB PHE 36 2HB PHE 36 -9.475 -2.626 -1.448 522 HD1 PHE 36 HD1 PHE 36 -10.958 -6.016 -1.890 523 HD2 PHE 36 HD2 PHE 36 -11.001 -1.912 -3.013 524 HE1 PHE 36 HE1 PHE 36 -12.950 -6.419 -3.277 525 HE2 PHE 36 HE2 PHE 36 -12.993 -2.308 -4.400 526 HZ PHE 36 HZ PHE 36 -13.969 -4.564 -4.533 527 H PHE 37 H PHE 37 -7.279 -2.241 -2.986 528 HA PHE 37 HA PHE 37 -8.291 -2.159 -5.586 529 1HB PHE 37 1HB PHE 37 -7.166 -0.291 -4.283 530 2HB PHE 37 2HB PHE 37 -5.629 -1.026 -4.722 531 HD1 PHE 37 HD1 PHE 37 -4.635 -0.573 -6.790 532 HD2 PHE 37 HD2 PHE 37 -8.706 0.466 -6.129 533 HE1 PHE 37 HE1 PHE 37 -4.658 0.679 -8.908 534 HE2 PHE 37 HE2 PHE 37 -8.736 1.718 -8.244 535 HZ PHE 37 HZ PHE 37 -6.710 1.826 -9.637 536 H LYS 38 H LYS 38 -5.092 -3.278 -4.447 537 HA LYS 38 HA LYS 38 -4.237 -4.156 -7.000 538 1HB LYS 38 1HB LYS 38 -3.315 -5.119 -4.290 539 2HB LYS 38 2HB LYS 38 -2.488 -5.399 -5.814 540 1HG LYS 38 1HG LYS 38 -2.306 -2.890 -6.027 541 2HG LYS 38 2HG LYS 38 -2.850 -2.804 -4.352 542 1HD LYS 38 1HD LYS 38 -0.334 -4.058 -5.433 543 2HD LYS 38 2HD LYS 38 -0.479 -2.722 -4.293 544 1HE LYS 38 1HE LYS 38 0.038 -4.435 -2.861 545 2HE LYS 38 2HE LYS 38 -1.722 -4.526 -2.837 546 1HZ LYS 38 1HZ LYS 38 -0.934 -6.720 -3.120 547 2HZ LYS 38 2HZ LYS 38 0.162 -6.263 -4.331 548 3HZ LYS 38 3HZ LYS 38 -1.496 -6.243 -4.646 549 H ARG 39 H ARG 39 -5.908 -5.770 -4.344 550 HA ARG 39 HA ARG 39 -5.765 -8.404 -5.238 551 1HB ARG 39 1HB ARG 39 -7.952 -6.976 -3.722 552 2HB ARG 39 2HB ARG 39 -7.953 -8.711 -4.006 553 1HG ARG 39 1HG ARG 39 -5.984 -9.007 -2.710 554 2HG ARG 39 2HG ARG 39 -5.717 -7.265 -2.612 555 1HD ARG 39 1HD ARG 39 -7.832 -7.054 -1.346 556 2HD ARG 39 2HD ARG 39 -7.997 -8.809 -1.380 557 HE ARG 39 HE ARG 39 -5.621 -8.619 -0.260 558 1HH1 ARG 39 1HH1 ARG 39 -8.468 -6.674 0.377 559 2HH1 ARG 39 2HH1 ARG 39 -8.051 -6.380 2.031 560 1HH2 ARG 39 1HH2 ARG 39 -5.073 -8.234 1.903 561 2HH2 ARG 39 2HH2 ARG 39 -6.114 -7.279 2.910 562 H THR 40 H THR 40 -8.121 -5.886 -6.043 563 HA THR 40 HA THR 40 -9.721 -7.505 -7.713 564 HB THR 40 HB THR 40 -9.372 -4.505 -7.872 565 HG1 THR 40 HG1 THR 40 -9.965 -4.870 -5.790 566 1HG2 THR 40 1HG2 THR 40 -10.616 -5.491 -9.740 567 2HG2 THR 40 2HG2 THR 40 -11.678 -4.539 -8.702 568 3HG2 THR 40 3HG2 THR 40 -11.692 -6.300 -8.601 569 H VAL 41 H VAL 41 -7.138 -5.161 -8.457 570 HA VAL 41 HA VAL 41 -7.287 -5.459 -11.259 571 HB VAL 41 HB VAL 41 -4.963 -4.514 -9.572 572 1HG1 VAL 41 1HG1 VAL 41 -4.223 -5.130 -11.805 573 2HG1 VAL 41 2HG1 VAL 41 -4.200 -3.378 -11.610 574 3HG1 VAL 41 3HG1 VAL 41 -5.501 -4.147 -12.519 575 1HG2 VAL 41 1HG2 VAL 41 -7.150 -2.957 -10.955 576 2HG2 VAL 41 2HG2 VAL 41 -5.777 -2.266 -10.088 577 3HG2 VAL 41 3HG2 VAL 41 -6.990 -3.202 -9.216 578 H GLN 42 H GLN 42 -5.081 -6.940 -8.876 579 HA GLN 42 HA GLN 42 -3.484 -8.209 -10.863 580 1HB GLN 42 1HB GLN 42 -3.685 -8.570 -7.893 581 2HB GLN 42 2HB GLN 42 -2.565 -9.492 -8.883 582 1HG GLN 42 1HG GLN 42 -1.552 -7.371 -9.640 583 2HG GLN 42 2HG GLN 42 -2.624 -6.503 -8.541 584 1HE2 GLN 42 1HE2 GLN 42 0.065 -8.703 -8.787 585 2HE2 GLN 42 2HE2 GLN 42 0.630 -8.503 -7.165 586 H ASN 43 H ASN 43 -6.328 -9.240 -9.064 587 HA ASN 43 HA ASN 43 -5.953 -11.978 -9.987 588 1HB ASN 43 1HB ASN 43 -8.078 -10.673 -8.288 589 2HB ASN 43 2HB ASN 43 -8.236 -12.322 -8.882 590 1HD2 ASN 43 1HD2 ASN 43 -6.588 -10.210 -6.697 591 2HD2 ASN 43 2HD2 ASN 43 -5.774 -11.443 -5.791 592 H ASN 44 H ASN 44 -6.820 -9.230 -11.357 593 HA ASN 44 HA ASN 44 -7.906 -8.604 -13.240 594 1HB ASN 44 1HB ASN 44 -8.100 -11.567 -13.829 595 2HB ASN 44 2HB ASN 44 -8.224 -10.254 -14.991 596 1HD2 ASN 44 1HD2 ASN 44 -5.981 -8.818 -13.540 597 2HD2 ASN 44 2HD2 ASN 44 -4.552 -9.621 -14.099 598 H LYS 45 H LYS 45 -9.377 -8.736 -10.960 599 HA LYS 45 HA LYS 45 -11.831 -10.193 -11.505 600 1HB LYS 45 1HB LYS 45 -10.743 -8.738 -9.124 601 2HB LYS 45 2HB LYS 45 -12.425 -9.220 -9.198 602 1HG LYS 45 1HG LYS 45 -11.688 -11.562 -9.537 603 2HG LYS 45 2HG LYS 45 -10.024 -11.021 -9.293 604 1HD LYS 45 1HD LYS 45 -10.507 -10.321 -7.059 605 2HD LYS 45 2HD LYS 45 -12.235 -10.594 -7.291 606 1HE LYS 45 1HE LYS 45 -10.080 -12.701 -7.293 607 2HE LYS 45 2HE LYS 45 -11.233 -12.394 -5.995 608 1HZ LYS 45 1HZ LYS 45 -13.004 -12.858 -7.726 609 2HZ LYS 45 2HZ LYS 45 -12.104 -14.189 -7.185 610 3HZ LYS 45 3HZ LYS 45 -11.758 -13.492 -8.694 611 H HIS 46 H HIS 46 -13.818 -9.276 -11.618 612 HA HIS 46 HA HIS 46 -14.091 -6.388 -11.504 613 1HB HIS 46 1HB HIS 46 -15.391 -6.382 -13.652 614 2HB HIS 46 2HB HIS 46 -13.681 -6.686 -13.848 615 HD1 HIS 46 HD1 HIS 46 -16.930 -7.959 -14.815 616 HD2 HIS 46 HD2 HIS 46 -13.134 -9.499 -14.215 617 HE1 HIS 46 HE1 HIS 46 -16.909 -10.172 -16.019 618 HE2 HIS 46 HE2 HIS 46 -14.625 -11.146 -15.551 619 H TYR 47 H TYR 47 -15.327 -6.503 -9.742 620 HA TYR 47 HA TYR 47 -17.245 -8.550 -9.287 621 1HB TYR 47 1HB TYR 47 -16.942 -5.902 -7.858 622 2HB TYR 47 2HB TYR 47 -17.814 -7.310 -7.267 623 HD1 TYR 47 HD1 TYR 47 -14.534 -5.795 -7.773 624 HD2 TYR 47 HD2 TYR 47 -16.601 -9.263 -6.431 625 HE1 TYR 47 HE1 TYR 47 -12.488 -6.577 -6.660 626 HE2 TYR 47 HE2 TYR 47 -14.559 -10.055 -5.316 627 HH TYR 47 HH TYR 47 -11.818 -8.049 -4.879 628 H THR 48 H THR 48 -19.527 -8.004 -8.684 629 HA THR 48 HA THR 48 -20.653 -5.969 -10.484 630 HB THR 48 HB THR 48 -22.757 -7.475 -10.338 631 HG1 THR 48 HG1 THR 48 -22.444 -9.555 -9.730 632 1HG2 THR 48 1HG2 THR 48 -20.325 -8.401 -11.874 633 2HG2 THR 48 2HG2 THR 48 -21.471 -7.164 -12.390 634 3HG2 THR 48 3HG2 THR 48 -21.995 -8.840 -12.233 635 H CYS 49 H CYS 49 -22.929 -5.303 -9.691 636 HA CYS 49 HA CYS 49 -22.886 -5.085 -6.751 637 1HB CYS 49 1HB CYS 49 -22.350 -2.925 -7.688 638 2HB CYS 49 2HB CYS 49 -23.723 -3.014 -8.787 639 HG CYS 49 HG CYS 49 -23.751 -2.473 -5.419 640 H THR 50 H THR 50 -24.968 -4.948 -9.620 641 HA THR 50 HA THR 50 -27.033 -5.783 -10.048 642 HB THR 50 HB THR 50 -26.926 -7.111 -7.333 643 HG1 THR 50 HG1 THR 50 -25.496 -7.569 -9.586 644 1HG2 THR 50 1HG2 THR 50 -28.522 -7.749 -9.820 645 2HG2 THR 50 2HG2 THR 50 -29.162 -7.047 -8.334 646 3HG2 THR 50 3HG2 THR 50 -28.519 -8.689 -8.329 647 H GLU 51 H GLU 51 -26.659 -4.574 -6.733 648 HA GLU 51 HA GLU 51 -29.332 -3.916 -6.252 649 1HB GLU 51 1HB GLU 51 -26.832 -2.628 -5.152 650 2HB GLU 51 2HB GLU 51 -28.447 -2.423 -4.492 651 1HG GLU 51 1HG GLU 51 -26.890 -4.995 -4.638 652 2HG GLU 51 2HG GLU 51 -27.191 -4.030 -3.194 653 H SER 52 H SER 52 -26.696 -1.769 -7.359 654 HA SER 52 HA SER 52 -28.524 -0.135 -8.849 655 1HB SER 52 1HB SER 52 -28.935 0.568 -6.470 656 2HB SER 52 2HB SER 52 -27.265 1.123 -6.403 657 HG SER 52 HG SER 52 -28.907 2.031 -8.491 658 H GLN 53 H GLN 53 -25.332 -0.720 -7.579 659 HA GLN 53 HA GLN 53 -23.278 -0.528 -8.506 660 1HB GLN 53 1HB GLN 53 -24.674 0.772 -10.847 661 2HB GLN 53 2HB GLN 53 -22.955 0.407 -10.782 662 1HG GLN 53 1HG GLN 53 -23.567 -1.995 -10.459 663 2HG GLN 53 2HG GLN 53 -25.242 -1.543 -10.775 664 1HE2 GLN 53 1HE2 GLN 53 -25.390 -2.777 -12.615 665 2HE2 GLN 53 2HE2 GLN 53 -24.571 -2.373 -14.089 666 H SER 54 H SER 54 -25.261 2.390 -8.944 667 HA SER 54 HA SER 54 -22.995 4.057 -8.222 668 1HB SER 54 1HB SER 54 -24.690 4.714 -9.996 669 2HB SER 54 2HB SER 54 -25.856 4.932 -8.692 670 HG SER 54 HG SER 54 -25.032 6.831 -8.420 671 H CYS 55 H CYS 55 -22.941 2.798 -6.163 672 HA CYS 55 HA CYS 55 -24.958 3.554 -4.202 673 1HB CYS 55 1HB CYS 55 -22.559 1.730 -3.921 674 2HB CYS 55 2HB CYS 55 -23.847 1.937 -2.738 675 HG CYS 55 HG CYS 55 -24.318 -0.507 -3.865 676 H LYS 56 H LYS 56 -24.348 4.446 -2.149 677 HA LYS 56 HA LYS 56 -22.351 6.521 -2.441 678 1HB LYS 56 1HB LYS 56 -24.135 5.909 -0.075 679 2HB LYS 56 2HB LYS 56 -23.223 7.389 -0.347 680 1HG LYS 56 1HG LYS 56 -24.603 7.964 -2.219 681 2HG LYS 56 2HG LYS 56 -25.435 6.410 -2.133 682 1HD LYS 56 1HD LYS 56 -26.224 7.024 0.141 683 2HD LYS 56 2HD LYS 56 -25.500 8.619 -0.081 684 1HE LYS 56 1HE LYS 56 -27.907 8.617 -0.568 685 2HE LYS 56 2HE LYS 56 -26.940 9.041 -1.981 686 1HZ LYS 56 1HZ LYS 56 -27.222 6.830 -2.842 687 2HZ LYS 56 2HZ LYS 56 -28.748 7.473 -2.483 688 3HZ LYS 56 3HZ LYS 56 -28.041 6.334 -1.445 689 H ILE 57 H ILE 57 -20.473 5.195 -2.481 690 HA ILE 57 HA ILE 57 -19.817 3.364 -0.448 691 HB ILE 57 HB ILE 57 -17.935 4.903 -2.237 692 1HG1 ILE 57 1HG1 ILE 57 -19.581 3.594 -3.491 693 2HG1 ILE 57 2HG1 ILE 57 -17.980 2.874 -3.631 694 1HG2 ILE 57 1HG2 ILE 57 -16.343 3.094 -1.777 695 2HG2 ILE 57 2HG2 ILE 57 -17.490 2.378 -0.643 696 3HG2 ILE 57 3HG2 ILE 57 -16.785 3.958 -0.304 697 1HD1 ILE 57 1HD1 ILE 57 -19.702 1.182 -3.317 698 2HD1 ILE 57 2HD1 ILE 57 -20.180 1.937 -1.797 699 3HD1 ILE 57 3HD1 ILE 57 -18.582 1.206 -1.956 700 H ASP 58 H ASP 58 -20.000 4.045 1.547 701 HA ASP 58 HA ASP 58 -18.229 6.213 2.460 702 1HB ASP 58 1HB ASP 58 -19.854 6.949 4.013 703 2HB ASP 58 2HB ASP 58 -20.784 6.658 2.545 704 H LYS 59 H LYS 59 -18.658 5.692 5.213 705 HA LYS 59 HA LYS 59 -16.848 3.632 5.702 706 1HB LYS 59 1HB LYS 59 -17.347 5.484 7.262 707 2HB LYS 59 2HB LYS 59 -18.914 4.763 7.594 708 1HG LYS 59 1HG LYS 59 -17.868 2.832 8.585 709 2HG LYS 59 2HG LYS 59 -16.269 3.434 8.144 710 1HD LYS 59 1HD LYS 59 -18.201 4.802 10.016 711 2HD LYS 59 2HD LYS 59 -16.799 3.851 10.510 712 1HE LYS 59 1HE LYS 59 -15.307 5.414 9.425 713 2HE LYS 59 2HE LYS 59 -16.676 6.322 8.784 714 1HZ LYS 59 1HZ LYS 59 -15.986 6.009 11.658 715 2HZ LYS 59 2HZ LYS 59 -17.332 6.854 11.053 716 3HZ LYS 59 3HZ LYS 59 -15.764 7.403 10.724 717 H THR 60 H THR 60 -20.375 3.561 5.496 718 HA THR 60 HA THR 60 -20.434 0.840 6.512 719 HB THR 60 HB THR 60 -22.887 0.975 6.252 720 HG1 THR 60 HG1 THR 60 -22.219 3.386 4.970 721 1HG2 THR 60 1HG2 THR 60 -21.640 3.288 7.729 722 2HG2 THR 60 2HG2 THR 60 -21.851 1.649 8.345 723 3HG2 THR 60 3HG2 THR 60 -23.261 2.652 8.002 724 H GLN 61 H GLN 61 -21.235 2.486 3.429 725 HA GLN 61 HA GLN 61 -22.070 -0.010 2.261 726 1HB GLN 61 1HB GLN 61 -21.683 2.717 1.035 727 2HB GLN 61 2HB GLN 61 -22.329 1.327 0.174 728 1HG GLN 61 1HG GLN 61 -24.140 1.219 1.903 729 2HG GLN 61 2HG GLN 61 -23.544 2.761 2.517 730 1HE2 GLN 61 1HE2 GLN 61 -25.444 3.836 2.027 731 2HE2 GLN 61 2HE2 GLN 61 -25.910 4.200 0.403 732 H ARG 62 H ARG 62 -19.035 1.389 2.686 733 HA ARG 62 HA ARG 62 -17.795 0.768 0.243 734 1HB ARG 62 1HB ARG 62 -15.680 0.956 1.416 735 2HB ARG 62 2HB ARG 62 -16.768 2.240 1.914 736 1HG ARG 62 1HG ARG 62 -17.311 0.834 3.941 737 2HG ARG 62 2HG ARG 62 -15.967 -0.209 3.464 738 1HD ARG 62 1HD ARG 62 -14.490 1.786 3.482 739 2HD ARG 62 2HD ARG 62 -15.837 2.732 4.106 740 HE ARG 62 HE ARG 62 -15.086 0.404 5.669 741 1HH1 ARG 62 1HH1 ARG 62 -14.900 3.874 5.231 742 2HH1 ARG 62 2HH1 ARG 62 -14.239 4.163 6.812 743 1HH2 ARG 62 1HH2 ARG 62 -14.203 0.793 7.757 744 2HH2 ARG 62 2HH2 ARG 62 -13.823 2.425 8.233 745 H LYS 63 H LYS 63 -18.724 -1.228 2.903 746 HA LYS 63 HA LYS 63 -17.104 -3.455 1.921 747 1HB LYS 63 1HB LYS 63 -17.787 -4.615 3.965 748 2HB LYS 63 2HB LYS 63 -17.075 -3.050 4.327 749 1HG LYS 63 1HG LYS 63 -19.370 -2.133 4.559 750 2HG LYS 63 2HG LYS 63 -19.996 -3.767 4.363 751 1HD LYS 63 1HD LYS 63 -18.136 -2.805 6.533 752 2HD LYS 63 2HD LYS 63 -19.853 -3.167 6.717 753 1HE LYS 63 1HE LYS 63 -17.771 -5.152 5.849 754 2HE LYS 63 2HE LYS 63 -18.344 -4.976 7.506 755 1HZ LYS 63 1HZ LYS 63 -20.631 -5.414 6.578 756 2HZ LYS 63 2HZ LYS 63 -19.567 -6.729 6.567 757 3HZ LYS 63 3HZ LYS 63 -19.877 -5.885 5.132 758 H ARG 64 H ARG 64 -20.118 -2.161 1.387 759 HA ARG 64 HA ARG 64 -21.585 -4.657 1.299 760 1HB ARG 64 1HB ARG 64 -22.399 -1.854 0.520 761 2HB ARG 64 2HB ARG 64 -23.471 -3.246 0.518 762 1HG ARG 64 1HG ARG 64 -23.054 -3.501 2.951 763 2HG ARG 64 2HG ARG 64 -22.118 -2.006 2.903 764 1HD ARG 64 1HD ARG 64 -24.376 -1.549 3.651 765 2HD ARG 64 2HD ARG 64 -24.099 -0.810 2.074 766 HE ARG 64 HE ARG 64 -25.212 -3.123 1.352 767 1HH1 ARG 64 1HH1 ARG 64 -26.130 -0.883 3.892 768 2HH1 ARG 64 2HH1 ARG 64 -27.830 -1.244 3.769 769 1HH2 ARG 64 1HH2 ARG 64 -27.433 -3.598 1.188 770 2HH2 ARG 64 2HH2 ARG 64 -28.573 -2.795 2.226 771 H CYS 65 H CYS 65 -20.053 -2.443 -0.938 772 HA CYS 65 HA CYS 65 -20.623 -4.360 -3.085 773 1HB CYS 65 1HB CYS 65 -20.800 -1.352 -3.296 774 2HB CYS 65 2HB CYS 65 -20.872 -2.456 -4.663 775 HG CYS 65 HG CYS 65 -23.115 -3.382 -2.465 776 HA PRO 66 HA PRO 66 -16.082 -3.955 -3.083 777 1HB PRO 66 1HB PRO 66 -16.460 -6.201 -4.981 778 2HB PRO 66 2HB PRO 66 -15.405 -6.089 -3.569 779 1HG PRO 66 1HG PRO 66 -17.617 -7.582 -3.514 780 2HG PRO 66 2HG PRO 66 -17.101 -6.654 -2.093 781 1HD PRO 66 1HD PRO 66 -19.260 -6.046 -4.075 782 2HD PRO 66 2HD PRO 66 -19.250 -5.819 -2.313 783 H PHE 67 H PHE 67 -18.201 -4.558 -5.861 784 HA PHE 67 HA PHE 67 -16.550 -3.548 -7.884 785 1HB PHE 67 1HB PHE 67 -18.466 -4.776 -8.547 786 2HB PHE 67 2HB PHE 67 -19.545 -3.763 -7.596 787 HD1 PHE 67 HD1 PHE 67 -17.213 -3.581 -10.501 788 HD2 PHE 67 HD2 PHE 67 -20.739 -2.094 -8.638 789 HE1 PHE 67 HE1 PHE 67 -17.688 -2.217 -12.494 790 HE2 PHE 67 HE2 PHE 67 -21.219 -0.728 -10.626 791 HZ PHE 67 HZ PHE 67 -19.693 -0.789 -12.558 792 H CYS 68 H CYS 68 -19.078 -1.940 -5.989 793 HA CYS 68 HA CYS 68 -18.793 0.569 -7.230 794 1HB CYS 68 1HB CYS 68 -19.878 -0.049 -4.479 795 2HB CYS 68 2HB CYS 68 -20.185 1.409 -5.420 796 HG CYS 68 HG CYS 68 -21.956 0.418 -7.089 797 H ARG 69 H ARG 69 -17.267 -0.885 -4.395 798 HA ARG 69 HA ARG 69 -15.972 1.484 -3.517 799 1HB ARG 69 1HB ARG 69 -16.257 -0.488 -2.064 800 2HB ARG 69 2HB ARG 69 -15.149 -1.395 -3.087 801 1HG ARG 69 1HG ARG 69 -13.369 0.213 -2.547 802 2HG ARG 69 2HG ARG 69 -14.483 1.055 -1.470 803 1HD ARG 69 1HD ARG 69 -14.720 -1.006 -0.147 804 2HD ARG 69 2HD ARG 69 -13.554 -1.800 -1.207 805 HE ARG 69 HE ARG 69 -12.297 0.470 -0.291 806 1HH1 ARG 69 1HH1 ARG 69 -13.709 -2.391 1.122 807 2HH1 ARG 69 2HH1 ARG 69 -12.661 -2.387 2.502 808 1HH2 ARG 69 1HH2 ARG 69 -10.910 0.498 1.539 809 2HH2 ARG 69 2HH2 ARG 69 -11.082 -0.733 2.754 810 H PHE 70 H PHE 70 -15.069 -1.117 -5.716 811 HA PHE 70 HA PHE 70 -12.432 -0.276 -6.219 812 1HB PHE 70 1HB PHE 70 -13.239 -2.490 -6.871 813 2HB PHE 70 2HB PHE 70 -14.371 -1.765 -8.007 814 HD1 PHE 70 HD1 PHE 70 -13.780 -1.741 -10.211 815 HD2 PHE 70 HD2 PHE 70 -10.711 -1.727 -7.264 816 HE1 PHE 70 HE1 PHE 70 -12.084 -1.858 -11.984 817 HE2 PHE 70 HE2 PHE 70 -9.006 -1.844 -9.033 818 HZ PHE 70 HZ PHE 70 -9.691 -1.909 -11.399 819 H GLN 71 H GLN 71 -15.434 0.319 -8.055 820 HA GLN 71 HA GLN 71 -14.303 2.125 -9.893 821 1HB GLN 71 1HB GLN 71 -17.159 2.027 -8.906 822 2HB GLN 71 2HB GLN 71 -16.602 2.828 -10.368 823 1HG GLN 71 1HG GLN 71 -16.529 -0.130 -9.813 824 2HG GLN 71 2HG GLN 71 -17.652 0.707 -10.882 825 1HE2 GLN 71 1HE2 GLN 71 -15.565 2.495 -11.907 826 2HE2 GLN 71 2HE2 GLN 71 -14.615 1.536 -12.990 827 H LYS 72 H LYS 72 -15.434 2.521 -6.643 828 HA LYS 72 HA LYS 72 -15.622 5.308 -6.499 829 1HB LYS 72 1HB LYS 72 -16.436 3.701 -4.779 830 2HB LYS 72 2HB LYS 72 -14.767 3.359 -4.348 831 1HG LYS 72 1HG LYS 72 -15.619 4.874 -2.751 832 2HG LYS 72 2HG LYS 72 -14.510 5.775 -3.787 833 1HD LYS 72 1HD LYS 72 -16.536 6.461 -5.128 834 2HD LYS 72 2HD LYS 72 -17.516 5.808 -3.814 835 1HE LYS 72 1HE LYS 72 -15.409 7.923 -3.551 836 2HE LYS 72 2HE LYS 72 -17.146 8.227 -3.591 837 1HZ LYS 72 1HZ LYS 72 -16.195 8.186 -1.322 838 2HZ LYS 72 2HZ LYS 72 -15.779 6.563 -1.535 839 3HZ LYS 72 3HZ LYS 72 -17.406 7.026 -1.539 840 H CYS 73 H CYS 73 -12.927 3.076 -5.937 841 HA CYS 73 HA CYS 73 -10.960 4.944 -5.247 842 1HB CYS 73 1HB CYS 73 -10.597 2.377 -6.820 843 2HB CYS 73 2HB CYS 73 -9.342 3.239 -5.939 844 HG CYS 73 HG CYS 73 -12.051 1.702 -4.513 845 H LEU 74 H LEU 74 -11.826 3.571 -8.408 846 HA LEU 74 HA LEU 74 -10.084 5.079 -9.977 847 1HB LEU 74 1HB LEU 74 -12.696 3.713 -10.499 848 2HB LEU 74 2HB LEU 74 -11.879 4.609 -11.764 849 HG LEU 74 HG LEU 74 -9.942 3.140 -11.571 850 1HD1 LEU 74 1HD1 LEU 74 -10.003 1.114 -10.240 851 2HD1 LEU 74 2HD1 LEU 74 -11.547 1.611 -9.547 852 3HD1 LEU 74 3HD1 LEU 74 -10.090 2.549 -9.218 853 1HD2 LEU 74 1HD2 LEU 74 -10.987 1.125 -12.467 854 2HD2 LEU 74 2HD2 LEU 74 -11.708 2.596 -13.128 855 3HD2 LEU 74 3HD2 LEU 74 -12.549 1.690 -11.868 856 H THR 75 H THR 75 -13.390 5.767 -8.912 857 HA THR 75 HA THR 75 -13.917 8.041 -10.407 858 HB THR 75 HB THR 75 -14.750 7.405 -7.568 859 HG1 THR 75 HG1 THR 75 -15.447 5.957 -9.280 860 1HG2 THR 75 1HG2 THR 75 -15.877 9.465 -9.466 861 2HG2 THR 75 2HG2 THR 75 -14.976 9.802 -7.987 862 3HG2 THR 75 3HG2 THR 75 -16.557 9.026 -7.900 863 H VAL 76 H VAL 76 -12.333 7.816 -7.222 864 HA VAL 76 HA VAL 76 -11.810 10.643 -7.182 865 HB VAL 76 HB VAL 76 -10.571 10.207 -5.101 866 1HG1 VAL 76 1HG1 VAL 76 -13.267 8.868 -5.302 867 2HG1 VAL 76 2HG1 VAL 76 -12.957 10.575 -4.982 868 3HG1 VAL 76 3HG1 VAL 76 -12.492 9.355 -3.796 869 1HG2 VAL 76 1HG2 VAL 76 -9.650 8.009 -5.700 870 2HG2 VAL 76 2HG2 VAL 76 -11.265 7.311 -5.586 871 3HG2 VAL 76 3HG2 VAL 76 -10.486 7.974 -4.149 872 H GLY 77 H GLY 77 -10.344 8.033 -8.722 873 1HA GLY 77 1HA GLY 77 -8.742 8.455 -10.391 874 2HA GLY 77 2HA GLY 77 -8.232 9.888 -9.518 875 H MET 78 H MET 78 -8.540 6.620 -8.185 876 HA MET 78 HA MET 78 -5.861 6.544 -7.296 877 1HB MET 78 1HB MET 78 -7.990 4.453 -7.663 878 2HB MET 78 2HB MET 78 -6.371 4.031 -7.118 879 1HG MET 78 1HG MET 78 -7.746 6.228 -5.702 880 2HG MET 78 2HG MET 78 -8.350 4.593 -5.448 881 1HE MET 78 1HE MET 78 -6.947 2.648 -4.350 882 2HE MET 78 2HE MET 78 -5.216 2.764 -4.027 883 3HE MET 78 3HE MET 78 -5.810 2.815 -5.688 884 H ARG 79 H ARG 79 -4.064 5.710 -8.184 885 HA ARG 79 HA ARG 79 -3.962 5.639 -11.030 886 1HB ARG 79 1HB ARG 79 -1.898 5.182 -8.886 887 2HB ARG 79 2HB ARG 79 -1.525 5.090 -10.601 888 1HG ARG 79 1HG ARG 79 -2.620 7.508 -9.183 889 2HG ARG 79 2HG ARG 79 -0.933 7.257 -9.637 890 1HD ARG 79 1HD ARG 79 -1.876 6.918 -12.019 891 2HD ARG 79 2HD ARG 79 -3.317 7.717 -11.389 892 HE ARG 79 HE ARG 79 -1.320 9.393 -10.677 893 1HH1 ARG 79 1HH1 ARG 79 -2.231 7.902 -13.702 894 2HH1 ARG 79 2HH1 ARG 79 -1.647 9.215 -14.681 895 1HH2 ARG 79 1HH2 ARG 79 -0.480 11.104 -11.957 896 2HH2 ARG 79 2HH2 ARG 79 -0.614 11.019 -13.692 897 H LEU 80 H LEU 80 -4.532 3.957 -12.199 898 HA LEU 80 HA LEU 80 -4.559 1.270 -11.228 899 1HB LEU 80 1HB LEU 80 -5.015 2.548 -13.901 900 2HB LEU 80 2HB LEU 80 -4.828 0.811 -13.792 901 HG LEU 80 HG LEU 80 -7.173 1.399 -13.854 902 1HD1 LEU 80 1HD1 LEU 80 -6.339 0.457 -11.119 903 2HD1 LEU 80 2HD1 LEU 80 -6.543 -0.549 -12.553 904 3HD1 LEU 80 3HD1 LEU 80 -7.938 0.259 -11.838 905 1HD2 LEU 80 1HD2 LEU 80 -8.228 2.684 -12.062 906 2HD2 LEU 80 2HD2 LEU 80 -7.048 3.651 -12.948 907 3HD2 LEU 80 3HD2 LEU 80 -6.642 3.003 -11.359 908 H GLU 81 H GLU 81 -2.274 3.266 -12.955 909 HA GLU 81 HA GLU 81 -0.667 1.017 -13.803 910 1HB GLU 81 1HB GLU 81 0.861 2.722 -14.700 911 2HB GLU 81 2HB GLU 81 -0.789 2.973 -15.244 912 1HG GLU 81 1HG GLU 81 0.298 4.452 -12.880 913 2HG GLU 81 2HG GLU 81 0.607 4.998 -14.521 914 H ALA 82 H ALA 82 -1.015 2.801 -10.972 915 HA ALA 82 HA ALA 82 1.733 2.729 -10.129 916 1HB ALA 82 1HB ALA 82 0.900 3.532 -7.988 917 2HB ALA 82 2HB ALA 82 -0.759 3.247 -8.517 918 3HB ALA 82 3HB ALA 82 0.226 4.469 -9.321 919 H VAL 83 H VAL 83 -0.906 0.551 -10.098 920 HA VAL 83 HA VAL 83 -0.369 -1.030 -7.862 921 HB VAL 83 HB VAL 83 -1.352 -2.000 -10.554 922 1HG1 VAL 83 1HG1 VAL 83 -2.451 -3.771 -9.251 923 2HG1 VAL 83 2HG1 VAL 83 -1.673 -3.164 -7.790 924 3HG1 VAL 83 3HG1 VAL 83 -0.695 -3.827 -9.098 925 1HG2 VAL 83 1HG2 VAL 83 -2.906 -0.938 -8.201 926 2HG2 VAL 83 2HG2 VAL 83 -3.601 -1.657 -9.654 927 3HG2 VAL 83 3HG2 VAL 83 -2.701 -0.145 -9.764 928 H ARG 84 H ARG 84 1.574 -1.815 -7.357 929 HA ARG 84 HA ARG 84 3.504 -2.448 -9.382 930 1HB ARG 84 1HB ARG 84 3.589 -2.837 -6.389 931 2HB ARG 84 2HB ARG 84 4.941 -3.128 -7.473 932 1HG ARG 84 1HG ARG 84 3.587 -0.472 -7.036 933 2HG ARG 84 2HG ARG 84 5.122 -0.977 -6.330 934 1HD ARG 84 1HD ARG 84 5.734 0.332 -8.168 935 2HD ARG 84 2HD ARG 84 5.910 -1.326 -8.737 936 HE ARG 84 HE ARG 84 3.393 0.049 -9.295 937 1HH1 ARG 84 1HH1 ARG 84 6.494 -1.092 -10.465 938 2HH1 ARG 84 2HH1 ARG 84 6.017 -1.046 -12.139 939 1HH2 ARG 84 1HH2 ARG 84 2.788 0.147 -11.512 940 2HH2 ARG 84 2HH2 ARG 84 3.932 -0.327 -12.728 941 H ALA 85 H ALA 85 2.158 -4.040 -10.459 942 HA ALA 85 HA ALA 85 1.792 -6.612 -9.233 943 1HB ALA 85 1HB ALA 85 1.132 -7.347 -11.472 944 2HB ALA 85 2HB ALA 85 1.682 -5.810 -12.142 945 3HB ALA 85 3HB ALA 85 0.316 -5.848 -11.025 946 H ASP 86 H ASP 86 4.441 -4.979 -10.218 947 HA ASP 86 HA ASP 86 5.948 -7.080 -11.467 948 1HB ASP 86 1HB ASP 86 6.754 -4.397 -10.326 949 2HB ASP 86 2HB ASP 86 7.863 -5.485 -11.154 950 H ARG 87 H ARG 87 4.887 -6.799 -8.410 951 HA ARG 87 HA ARG 87 5.432 -7.731 -6.413 952 1HB ARG 87 1HB ARG 87 6.039 -9.684 -7.853 953 2HB ARG 87 2HB ARG 87 7.687 -9.084 -7.920 954 1HG ARG 87 1HG ARG 87 7.464 -10.892 -6.316 955 2HG ARG 87 2HG ARG 87 7.905 -9.385 -5.513 956 1HD ARG 87 1HD ARG 87 6.211 -10.581 -4.240 957 2HD ARG 87 2HD ARG 87 5.576 -9.054 -4.850 958 HE ARG 87 HE ARG 87 4.450 -10.384 -6.601 959 1HH1 ARG 87 1HH1 ARG 87 5.520 -12.009 -3.687 960 2HH1 ARG 87 2HH1 ARG 87 4.312 -13.257 -3.787 961 1HH2 ARG 87 1HH2 ARG 87 2.852 -12.000 -6.733 962 2HH2 ARG 87 2HH2 ARG 87 2.788 -13.254 -5.524 963 H MET 88 H MET 88 6.778 -5.290 -7.626 964 HA MET 88 HA MET 88 9.166 -5.122 -5.943 965 1HB MET 88 1HB MET 88 8.108 -3.219 -8.043 966 2HB MET 88 2HB MET 88 9.604 -3.030 -7.165 967 1HG MET 88 1HG MET 88 10.526 -4.991 -8.157 968 2HG MET 88 2HG MET 88 8.994 -5.319 -8.940 969 1HE MET 88 1HE MET 88 10.847 -1.872 -8.499 970 2HE MET 88 2HE MET 88 11.753 -1.791 -10.010 971 3HE MET 88 3HE MET 88 12.141 -3.029 -8.815 972 H ARG 89 H ARG 89 8.963 -4.293 -3.989 973 HA ARG 89 HA ARG 89 6.514 -3.033 -3.177 974 1HB ARG 89 1HB ARG 89 9.029 -3.783 -1.697 975 2HB ARG 89 2HB ARG 89 7.695 -2.939 -0.928 976 1HG ARG 89 1HG ARG 89 7.343 -5.166 -0.383 977 2HG ARG 89 2HG ARG 89 6.245 -4.881 -1.731 978 1HD ARG 89 1HD ARG 89 7.699 -5.997 -3.250 979 2HD ARG 89 2HD ARG 89 8.980 -6.093 -2.038 980 HE ARG 89 HE ARG 89 6.689 -7.370 -1.039 981 1HH1 ARG 89 1HH1 ARG 89 9.043 -7.820 -3.582 982 2HH1 ARG 89 2HH1 ARG 89 9.020 -9.553 -3.483 983 1HH2 ARG 89 1HH2 ARG 89 6.604 -9.623 -0.914 984 2HH2 ARG 89 2HH2 ARG 89 7.579 -10.590 -1.991 985 H GLY 90 H GLY 90 7.217 -1.270 -4.894 986 1HA GLY 90 1HA GLY 90 7.484 1.130 -3.555 987 2HA GLY 90 2HA GLY 90 9.114 0.677 -4.032 988 H GLY 91 H GLY 91 9.754 1.538 -5.873 989 1HA GLY 91 1HA GLY 91 9.677 2.048 -8.150 990 2HA GLY 91 2HA GLY 91 7.965 1.641 -8.158 991 H ARG 92 H ARG 92 9.301 3.780 -5.778 992 HA ARG 92 HA ARG 92 7.431 5.818 -6.558 993 1HB ARG 92 1HB ARG 92 7.949 5.336 -4.182 994 2HB ARG 92 2HB ARG 92 9.587 5.921 -4.438 995 1HG ARG 92 1HG ARG 92 8.706 8.139 -4.982 996 2HG ARG 92 2HG ARG 92 7.066 7.549 -4.709 997 1HD ARG 92 1HD ARG 92 7.797 8.714 -2.745 998 2HD ARG 92 2HD ARG 92 7.711 6.993 -2.379 999 HE ARG 92 HE ARG 92 10.327 7.897 -3.192 1000 1HH1 ARG 92 1HH1 ARG 92 8.143 7.381 -0.502 1001 2HH1 ARG 92 2HH1 ARG 92 9.410 7.378 0.686 1002 1HH2 ARG 92 1HH2 ARG 92 11.994 7.875 -1.624 1003 2HH2 ARG 92 2HH2 ARG 92 11.594 7.644 0.047 1004 H ASN 93 H ASN 93 8.150 6.355 -8.630 1005 HA ASN 93 HA ASN 93 10.009 8.558 -8.615 1006 1HB ASN 93 1HB ASN 93 11.440 7.760 -10.414 1007 2HB ASN 93 2HB ASN 93 11.517 6.629 -9.069 1008 1HD2 ASN 93 1HD2 ASN 93 10.627 4.591 -9.297 1009 2HD2 ASN 93 2HD2 ASN 93 10.180 3.928 -10.838 1010 H LYS 94 H LYS 94 7.863 6.426 -10.397 1011 HA LYS 94 HA LYS 94 7.450 7.966 -12.687 1012 1HB LYS 94 1HB LYS 94 5.392 6.246 -11.290 1013 2HB LYS 94 2HB LYS 94 5.401 6.701 -12.986 1014 1HG LYS 94 1HG LYS 94 7.465 4.964 -11.651 1015 2HG LYS 94 2HG LYS 94 6.106 4.383 -12.611 1016 1HD LYS 94 1HD LYS 94 6.973 5.609 -14.555 1017 2HD LYS 94 2HD LYS 94 8.348 6.150 -13.587 1018 1HE LYS 94 1HE LYS 94 9.059 3.857 -13.268 1019 2HE LYS 94 2HE LYS 94 7.647 3.273 -14.147 1020 1HZ LYS 94 1HZ LYS 94 9.900 4.863 -15.246 1021 2HZ LYS 94 2HZ LYS 94 8.488 4.502 -16.107 1022 3HZ LYS 94 3HZ LYS 94 9.518 3.251 -15.605 1023 H PHE 95 H PHE 95 5.830 7.989 -9.570 1024 HA PHE 95 HA PHE 95 4.136 10.207 -10.442 1025 1HB PHE 95 1HB PHE 95 3.904 8.516 -7.944 1026 2HB PHE 95 2HB PHE 95 2.699 9.631 -8.585 1027 HD1 PHE 95 HD1 PHE 95 1.434 9.069 -10.599 1028 HD2 PHE 95 HD2 PHE 95 4.198 6.326 -8.882 1029 HE1 PHE 95 HE1 PHE 95 0.461 7.251 -11.940 1030 HE2 PHE 95 HE2 PHE 95 3.224 4.504 -10.213 1031 HZ PHE 95 HZ PHE 95 1.355 4.965 -11.748 1032 H GLY 96 H GLY 96 7.053 10.042 -9.381 1033 1HA GLY 96 1HA GLY 96 7.279 11.335 -6.927 1034 2HA GLY 96 2HA GLY 96 8.463 11.417 -8.220 1035 HA PRO 97 HA PRO 97 7.519 15.587 -9.415 1036 1HB PRO 97 1HB PRO 97 5.628 14.851 -11.594 1037 2HB PRO 97 2HB PRO 97 7.048 15.901 -11.641 1038 1HG PRO 97 1HG PRO 97 7.138 13.457 -12.682 1039 2HG PRO 97 2HG PRO 97 8.523 14.119 -11.796 1040 1HD PRO 97 1HD PRO 97 6.496 12.107 -10.920 1041 2HD PRO 97 2HD PRO 97 8.236 12.184 -10.573 1042 H MET 98 H MET 98 4.462 13.781 -9.893 1043 HA MET 98 HA MET 98 2.867 16.018 -9.140 1044 1HB MET 98 1HB MET 98 0.960 14.509 -9.247 1045 2HB MET 98 2HB MET 98 1.997 14.289 -10.647 1046 1HG MET 98 1HG MET 98 2.896 12.260 -9.722 1047 2HG MET 98 2HG MET 98 2.003 12.507 -8.222 1048 1HE MET 98 1HE MET 98 -0.785 13.580 -9.302 1049 2HE MET 98 2HE MET 98 -0.636 12.369 -8.030 1050 3HE MET 98 3HE MET 98 -1.705 12.079 -9.402 1051 H TYR 99 H TYR 99 4.250 13.318 -7.411 1052 HA TYR 99 HA TYR 99 2.717 13.439 -5.069 1053 1HB TYR 99 1HB TYR 99 5.231 12.241 -5.918 1054 2HB TYR 99 2HB TYR 99 5.278 12.758 -4.236 1055 HD1 TYR 99 HD1 TYR 99 4.893 11.043 -2.783 1056 HD2 TYR 99 HD2 TYR 99 2.697 11.137 -6.425 1057 HE1 TYR 99 HE1 TYR 99 3.691 9.014 -2.104 1058 HE2 TYR 99 HE2 TYR 99 1.487 9.107 -5.752 1059 HH TYR 99 HH TYR 99 1.755 7.804 -2.541 1060 H LYS 100 H LYS 100 5.886 14.922 -5.750 1061 HA LYS 100 HA LYS 100 5.935 16.361 -3.304 1062 1HB LYS 100 1HB LYS 100 7.799 17.659 -4.414 1063 2HB LYS 100 2HB LYS 100 8.041 15.922 -4.289 1064 1HG LYS 100 1HG LYS 100 7.464 15.645 -6.622 1065 2HG LYS 100 2HG LYS 100 7.092 17.365 -6.757 1066 1HD LYS 100 1HD LYS 100 9.296 16.885 -7.672 1067 2HD LYS 100 2HD LYS 100 9.424 17.909 -6.242 1068 1HE LYS 100 1HE LYS 100 11.135 16.210 -6.172 1069 2HE LYS 100 2HE LYS 100 9.957 15.909 -4.897 1070 1HZ LYS 100 1HZ LYS 100 9.034 14.125 -6.101 1071 2HZ LYS 100 2HZ LYS 100 10.712 13.922 -6.220 1072 3HZ LYS 100 3HZ LYS 100 9.843 14.551 -7.528 1073 H ARG 101 H ARG 101 4.909 17.161 -6.566 1074 HA ARG 101 HA ARG 101 4.721 19.946 -6.194 1075 1HB ARG 101 1HB ARG 101 4.812 18.924 -8.403 1076 2HB ARG 101 2HB ARG 101 3.275 18.119 -8.119 1077 1HG ARG 101 1HG ARG 101 2.638 20.743 -7.701 1078 2HG ARG 101 2HG ARG 101 3.837 20.840 -8.995 1079 1HD ARG 101 1HD ARG 101 1.312 19.197 -8.978 1080 2HD ARG 101 2HD ARG 101 1.636 20.628 -9.954 1081 HE ARG 101 HE ARG 101 3.513 19.174 -10.931 1082 1HH1 ARG 101 1HH1 ARG 101 0.535 17.833 -9.658 1083 2HH1 ARG 101 2HH1 ARG 101 0.434 16.585 -10.866 1084 1HH2 ARG 101 1HH2 ARG 101 3.418 17.487 -12.487 1085 2HH2 ARG 101 2HH2 ARG 101 2.079 16.370 -12.455 1086 H ASP 102 H ASP 102 2.165 17.450 -6.237 1087 HA ASP 102 HA ASP 102 0.116 19.289 -5.560 1088 1HB ASP 102 1HB ASP 102 0.264 16.300 -5.726 1089 2HB ASP 102 2HB ASP 102 -1.152 17.073 -5.023 1090 H ARG 103 H ARG 103 2.162 17.135 -3.646 1091 HA ARG 103 HA ARG 103 0.775 17.508 -1.204 1092 1HB ARG 103 1HB ARG 103 2.557 15.769 -1.606 1093 2HB ARG 103 2HB ARG 103 3.752 17.057 -1.505 1094 1HG ARG 103 1HG ARG 103 2.857 17.572 0.784 1095 2HG ARG 103 2HG ARG 103 1.902 16.096 0.661 1096 1HD ARG 103 1HD ARG 103 4.903 16.337 0.607 1097 2HD ARG 103 2HD ARG 103 3.915 15.628 1.881 1098 HE ARG 103 HE ARG 103 4.085 14.463 -0.821 1099 1HH1 ARG 103 1HH1 ARG 103 4.028 14.148 2.667 1100 2HH1 ARG 103 2HH1 ARG 103 4.292 12.427 2.648 1101 1HH2 ARG 103 1HH2 ARG 103 4.443 12.190 -0.849 1102 2HH2 ARG 103 2HH2 ARG 103 4.545 11.327 0.651 1103 H ALA 104 H ALA 104 3.409 19.277 -2.778 1104 HA ALA 104 HA ALA 104 3.901 21.109 -0.697 1105 1HB ALA 104 1HB ALA 104 5.010 22.474 -2.377 1106 2HB ALA 104 2HB ALA 104 4.269 21.521 -3.663 1107 3HB ALA 104 3HB ALA 104 5.441 20.775 -2.575 1108 H LEU 105 H LEU 105 1.569 21.080 -3.323 1109 HA LEU 105 HA LEU 105 0.609 23.722 -2.920 1110 1HB LEU 105 1HB LEU 105 -0.705 21.315 -4.176 1111 2HB LEU 105 2HB LEU 105 -1.364 22.940 -4.225 1112 HG LEU 105 HG LEU 105 1.235 22.036 -5.463 1113 1HD1 LEU 105 1HD1 LEU 105 -1.365 22.921 -6.705 1114 2HD1 LEU 105 2HD1 LEU 105 -0.732 21.275 -6.679 1115 3HD1 LEU 105 3HD1 LEU 105 0.118 22.533 -7.577 1116 1HD2 LEU 105 1HD2 LEU 105 1.376 24.297 -6.357 1117 2HD2 LEU 105 2HD2 LEU 105 1.383 24.311 -4.593 1118 3HD2 LEU 105 3HD2 LEU 105 -0.082 24.746 -5.472 1119 H LYS 106 H LYS 106 -0.264 20.590 -1.622 1120 HA LYS 106 HA LYS 106 -2.608 21.506 -0.261 1121 1HB LYS 106 1HB LYS 106 -2.121 19.133 -0.996 1122 2HB LYS 106 2HB LYS 106 -0.989 19.031 0.345 1123 1HG LYS 106 1HG LYS 106 -2.751 19.320 1.938 1124 2HG LYS 106 2HG LYS 106 -3.919 19.656 0.656 1125 1HD LYS 106 1HD LYS 106 -4.272 17.403 1.279 1126 2HD LYS 106 2HD LYS 106 -3.387 17.355 -0.247 1127 1HE LYS 106 1HE LYS 106 -2.337 15.750 1.091 1128 2HE LYS 106 2HE LYS 106 -1.281 17.160 1.177 1129 1HZ LYS 106 1HZ LYS 106 -2.327 17.726 3.311 1130 2HZ LYS 106 2HZ LYS 106 -1.580 16.201 3.350 1131 3HZ LYS 106 3HZ LYS 106 -3.268 16.315 3.218 1132 H GLN 107 H GLN 107 0.769 21.046 0.578 1133 HA GLN 107 HA GLN 107 0.281 21.831 3.353 1134 1HB GLN 107 1HB GLN 107 2.870 21.023 2.013 1135 2HB GLN 107 2HB GLN 107 2.616 21.240 3.737 1136 1HG GLN 107 1HG GLN 107 1.360 19.128 2.002 1137 2HG GLN 107 2HG GLN 107 2.671 18.894 3.155 1138 1HE2 GLN 107 1HE2 GLN 107 2.217 18.998 5.373 1139 2HE2 GLN 107 2HE2 GLN 107 0.607 18.782 5.974 1140 H GLN 108 H GLN 108 0.370 23.549 0.728 1141 HA GLN 108 HA GLN 108 2.547 25.317 0.946 1142 1HB GLN 108 1HB GLN 108 1.244 25.170 -1.096 1143 2HB GLN 108 2HB GLN 108 -0.196 25.725 -0.259 1144 1HG GLN 108 1HG GLN 108 0.800 27.476 -1.633 1145 2HG GLN 108 2HG GLN 108 0.795 27.903 0.075 1146 1HE2 GLN 108 1HE2 GLN 108 2.427 29.399 -0.198 1147 2HE2 GLN 108 2HE2 GLN 108 4.074 28.932 -0.465 1148 H LYS 109 H LYS 109 -0.834 26.203 1.593 1149 HA LYS 109 HA LYS 109 -0.427 27.071 4.238 1150 1HB LYS 109 1HB LYS 109 0.910 28.820 3.018 1151 2HB LYS 109 2HB LYS 109 -0.572 29.305 2.208 1152 1HG LYS 109 1HG LYS 109 -0.151 30.802 4.034 1153 2HG LYS 109 2HG LYS 109 -1.562 29.814 4.423 1154 1HD LYS 109 1HD LYS 109 -0.144 28.341 5.779 1155 2HD LYS 109 2HD LYS 109 1.256 29.345 5.398 1156 1HE LYS 109 1HE LYS 109 0.144 31.259 6.480 1157 2HE LYS 109 2HE LYS 109 -1.211 30.213 6.902 1158 1HZ LYS 109 1HZ LYS 109 1.588 30.005 7.868 1159 2HZ LYS 109 2HZ LYS 109 0.420 28.807 8.127 1160 3HZ LYS 109 3HZ LYS 109 0.203 30.356 8.786 1161 H LYS 110 H LYS 110 -2.385 26.717 5.027 1162 HA LYS 110 HA LYS 110 -4.708 26.798 3.315 1163 1HB LYS 110 1HB LYS 110 -4.387 25.073 5.098 1164 2HB LYS 110 2HB LYS 110 -4.562 26.343 6.301 1165 1HG LYS 110 1HG LYS 110 -6.830 26.785 5.500 1166 2HG LYS 110 2HG LYS 110 -6.652 25.500 4.307 1167 1HD LYS 110 1HD LYS 110 -6.305 24.995 7.249 1168 2HD LYS 110 2HD LYS 110 -7.889 24.948 6.479 1169 1HE LYS 110 1HE LYS 110 -7.098 22.714 6.557 1170 2HE LYS 110 2HE LYS 110 -6.952 23.245 4.885 1171 1HZ LYS 110 1HZ LYS 110 -5.012 21.988 5.735 1172 2HZ LYS 110 2HZ LYS 110 -4.700 23.251 6.822 1173 3HZ LYS 110 3HZ LYS 110 -4.615 23.526 5.151 1174 H ALA 111 H ALA 111 -4.671 29.011 2.752 1175 HA ALA 111 HA ALA 111 -6.267 30.650 4.461 1176 1HB ALA 111 1HB ALA 111 -4.073 31.068 5.475 1177 2HB ALA 111 2HB ALA 111 -4.694 32.514 4.678 1178 3HB ALA 111 3HB ALA 111 -3.437 31.551 3.902 Start of MODEL 7 1 1H5* G 1 1H5* G 1 30.246 2.739 -1.510 2 2H5* G 1 2H5* G 1 29.571 1.192 -0.965 3 H4* G 1 H4* G 1 29.425 3.222 0.582 4 H3* G 1 H3* G 1 27.871 0.978 0.517 5 H1* G 1 H1* G 1 26.440 4.526 0.740 6 H8 G 1 H8 G 1 25.990 3.126 -2.855 7 H1 G 1 H1 G 1 22.415 8.232 -1.329 8 1H2 G 1 1H2 G 1 22.830 8.853 0.744 9 2H2 G 1 2H2 G 1 23.990 8.019 1.752 10 H5T G 1 H5T G 1 27.758 2.783 -2.272 11 1H2* G 1 1H2* G 1 26.043 1.875 -0.739 12 2H2* G 1 2H2* G 1 25.530 2.292 0.891 13 1H5* G 2 1H5* G 2 26.445 5.081 2.823 14 2H5* G 2 2H5* G 2 26.556 4.307 4.417 15 H4* G 2 H4* G 2 24.949 5.976 4.657 16 H3* G 2 H3* G 2 24.144 3.414 5.157 17 H1* G 2 H1* G 2 22.001 5.981 3.292 18 H8 G 2 H8 G 2 23.325 3.267 0.853 19 H1 G 2 H1 G 2 18.847 7.229 -1.488 20 1H2 G 2 1H2 G 2 18.295 8.730 0.033 21 2H2 G 2 2H2 G 2 19.022 8.755 1.624 22 1H2* G 2 1H2* G 2 22.907 3.060 3.138 23 2H2* G 2 2H2* G 2 21.648 3.750 4.155 24 1H5* C 3 1H5* C 3 21.809 7.156 6.145 25 2H5* C 3 2H5* C 3 21.157 7.085 7.796 26 H4* C 3 H4* C 3 19.930 8.702 6.529 27 H3* C 3 H3* C 3 18.632 6.888 8.011 28 H1* C 3 H1* C 3 17.547 7.423 4.321 29 1H4 C 3 1H4 C 3 18.386 2.795 0.095 30 2H4 C 3 2H4 C 3 19.647 2.049 1.053 31 H5 C 3 H5 C 3 20.361 2.923 3.196 32 H6 C 3 H6 C 3 20.017 4.686 4.846 33 1H2* C 3 1H2* C 3 18.256 5.232 6.318 34 2H2* C 3 2H2* C 3 16.770 6.163 6.193 35 1H5* T 4 1H5* T 4 16.234 9.122 4.150 36 2H5* T 4 2H5* T 4 15.781 10.171 5.510 37 H4* T 4 H4* T 4 14.101 10.577 4.004 38 H3* T 4 H3* T 4 13.201 9.486 6.255 39 1H2* T 4 1H2* T 4 13.274 7.177 5.640 40 2H2* T 4 2H2* T 4 11.620 7.566 5.185 41 H1* T 4 H1* T 4 12.143 7.765 2.884 42 H3 T 4 H3 T 4 13.677 4.061 0.886 43 1H5M T 4 1H5M T 4 15.289 3.566 5.788 44 2H5M T 4 2H5M T 4 16.246 2.863 4.464 45 3H5M T 4 3H5M T 4 16.694 4.446 5.142 46 H6 T 4 H6 T 4 14.629 6.166 5.060 47 1H5* C 5 1H5* C 5 11.554 9.054 1.770 48 2H5* C 5 2H5* C 5 10.448 10.362 2.240 49 H4* C 5 H4* C 5 9.530 9.463 0.298 50 H3* C 5 H3* C 5 7.925 9.477 2.424 51 H1* C 5 H1* C 5 8.390 6.031 0.542 52 1H4 C 5 1H4 C 5 12.045 1.697 3.364 53 2H4 C 5 2H4 C 5 12.038 2.600 4.862 54 H5 C 5 H5 C 5 10.988 4.775 5.082 55 H6 C 5 H6 C 5 9.739 6.513 3.911 56 1H2* C 5 1H2* C 5 8.322 7.291 3.291 57 2H2* C 5 2H2* C 5 6.993 6.927 2.197 58 1H5* A 6 1H5* A 6 6.820 7.565 -1.141 59 2H5* A 6 2H5* A 6 5.419 8.080 -2.100 60 H4* A 6 H4* A 6 5.583 5.942 -2.789 61 H3* A 6 H3* A 6 3.473 6.232 -0.960 62 H1* A 6 H1* A 6 5.862 3.225 -1.411 63 H8 A 6 H8 A 6 6.386 5.046 1.988 64 1H6 A 6 1H6 A 6 9.366 -0.102 3.688 65 2H6 A 6 2H6 A 6 8.845 1.493 4.187 66 H2 A 6 H2 A 6 7.923 -0.659 -0.528 67 1H2* A 6 1H2* A 6 4.245 4.744 0.691 68 2H2* A 6 2H2* A 6 3.696 3.518 -0.444 69 1H5* G 7 1H5* G 7 5.590 2.444 -3.545 70 2H5* G 7 2H5* G 7 4.132 2.637 -4.542 71 H4* G 7 H4* G 7 5.160 0.442 -4.829 72 H3* G 7 H3* G 7 2.507 0.816 -4.675 73 H1* G 7 H1* G 7 4.173 -1.873 -2.336 74 H8 G 7 H8 G 7 2.637 1.162 -0.595 75 H1 G 7 H1 G 7 6.125 -2.678 3.191 76 1H2 G 7 1H2 G 7 7.167 -4.192 1.971 77 2H2 G 7 2H2 G 7 7.002 -4.253 0.230 78 1H2* G 7 1H2* G 7 2.146 0.385 -2.363 79 2H2* G 7 2H2* G 7 1.994 -1.255 -2.978 80 1H5* G 8 1H5* G 8 4.316 -3.051 -3.743 81 2H5* G 8 2H5* G 8 4.177 -3.782 -5.353 82 H4* G 8 H4* G 8 4.582 -5.674 -4.255 83 H3* G 8 H3* G 8 1.899 -5.568 -4.686 84 H1* G 8 H1* G 8 3.364 -6.524 -1.171 85 H8 G 8 H8 G 8 1.446 -3.190 -1.394 86 H1 G 8 H1 G 8 3.800 -4.628 4.400 87 1H2 G 8 1H2 G 8 5.031 -6.444 4.293 88 2H2 G 8 2H2 G 8 5.289 -7.314 2.797 89 1H2* G 8 1H2* G 8 1.155 -4.933 -2.526 90 2H2* G 8 2H2* G 8 1.270 -6.667 -2.256 91 1H5* G 9 1H5* G 9 4.004 -8.510 -2.657 92 2H5* G 9 2H5* G 9 4.142 -10.143 -3.340 93 H4* G 9 H4* G 9 4.735 -10.532 -1.180 94 H3* G 9 H3* G 9 2.318 -11.632 -1.803 95 H1* G 9 H1* G 9 3.007 -9.835 1.530 96 H8 G 9 H8 G 9 0.905 -7.587 -0.844 97 H1 G 9 H1 G 9 0.950 -5.923 5.361 98 1H2 G 9 1H2 G 9 2.207 -7.339 6.506 99 2H2 G 9 2H2 G 9 3.029 -8.681 5.742 100 1H2* G 9 1H2* G 9 0.913 -10.058 -0.687 101 2H2* G 9 2H2* G 9 1.221 -11.173 0.638 102 1H5* C 10 1H5* C 10 4.038 -12.222 1.922 103 2H5* C 10 2H5* C 10 4.668 -13.773 2.514 104 H4* C 10 H4* C 10 4.122 -12.794 4.481 105 H3* C 10 H3* C 10 2.242 -14.746 3.738 106 H1* C 10 H1* C 10 1.596 -11.387 5.574 107 1H4 C 10 1H4 C 10 -2.890 -7.571 3.228 108 2H4 C 10 2H4 C 10 -2.787 -8.314 1.649 109 H5 C 10 H5 C 10 -1.283 -10.139 1.147 110 H6 C 10 H6 C 10 0.410 -11.636 2.062 111 1H2* C 10 1H2* C 10 0.323 -13.390 3.656 112 2H2* C 10 2H2* C 10 0.437 -13.455 5.410 113 1H5* C 11 1H5* C 11 2.978 -13.790 7.984 114 2H5* C 11 2H5* C 11 3.113 -15.088 9.190 115 H4* C 11 H4* C 11 1.999 -13.368 10.280 116 H3* C 11 H3* C 11 0.565 -15.747 9.856 117 H1* C 11 H1* C 11 -0.888 -12.081 9.676 118 1H4 C 11 1H4 C 11 -3.941 -10.812 4.263 119 2H4 C 11 2H4 C 11 -3.351 -12.281 3.515 120 H5 C 11 H5 C 11 -1.883 -13.834 4.646 121 H6 C 11 H6 C 11 -0.689 -14.304 6.711 122 1H2* C 11 1H2* C 11 -1.292 -14.922 8.705 123 2H2* C 11 2H2* C 11 -1.730 -14.187 10.240 124 1H5* A 12 1H5* A 12 -0.429 -12.879 12.702 125 2H5* A 12 2H5* A 12 -0.773 -13.097 14.431 126 H4* A 12 H4* A 12 -2.223 -11.425 13.830 127 H3* A 12 H3* A 12 -3.448 -13.856 14.469 128 H1* A 12 H1* A 12 -4.536 -11.245 11.923 129 H8 A 12 H8 A 12 -3.283 -14.396 10.022 130 1H6 A 12 1H6 A 12 -6.521 -12.151 5.243 131 2H6 A 12 2H6 A 12 -5.459 -13.433 5.783 132 H2 A 12 H2 A 12 -7.082 -9.386 8.732 133 1H2* A 12 1H2* A 12 -4.393 -14.281 12.330 134 2H2* A 12 2H2* A 12 -5.616 -13.173 12.940 135 1H5* C 13 1H5* C 13 -5.650 -9.652 14.293 136 2H5* C 13 2H5* C 13 -6.446 -9.638 15.881 137 H4* C 13 H4* C 13 -7.635 -8.163 14.466 138 H3* C 13 H3* C 13 -8.982 -10.118 15.775 139 H1* C 13 H1* C 13 -9.667 -9.333 12.044 140 1H4 C 13 1H4 C 13 -8.724 -13.839 7.700 141 2H4 C 13 2H4 C 13 -7.625 -14.715 8.745 142 H5 C 13 H5 C 13 -7.059 -13.973 10.978 143 H6 C 13 H6 C 13 -7.431 -12.245 12.659 144 1H2* C 13 1H2* C 13 -9.240 -11.661 13.972 145 2H2* C 13 2H2* C 13 -10.685 -10.686 13.739 146 1H5* A 14 1H5* A 14 -11.397 -7.717 12.363 147 2H5* A 14 2H5* A 14 -12.040 -6.698 13.668 148 H4* A 14 H4* A 14 -13.648 -6.368 12.113 149 H3* A 14 H3* A 14 -14.651 -7.789 14.126 150 H1* A 14 H1* A 14 -15.094 -9.281 10.492 151 H8 A 14 H8 A 14 -12.244 -10.792 12.651 152 1H6 A 14 1H6 A 14 -11.788 -14.987 8.109 153 2H6 A 14 2H6 A 14 -11.191 -14.505 9.682 154 H2 A 14 H2 A 14 -14.870 -11.953 6.913 155 1H2* A 14 1H2* A 14 -14.283 -10.002 13.317 156 2H2* A 14 2H2* A 14 -15.890 -9.714 12.661 157 1H5* G 15 1H5* G 15 -16.284 -8.432 9.844 158 2H5* G 15 2H5* G 15 -17.163 -6.946 10.262 159 H4* G 15 H4* G 15 -18.383 -7.483 8.475 160 H3* G 15 H3* G 15 -19.874 -8.091 10.581 161 H1* G 15 H1* G 15 -19.166 -11.101 8.021 162 H8 G 15 H8 G 15 -17.113 -10.760 11.286 163 H1 G 15 H1 G 15 -15.927 -15.979 7.739 164 1H2 G 15 1H2 G 15 -17.108 -15.909 5.872 165 2H2 G 15 2H2 G 15 -18.194 -14.587 5.505 166 H3T G 15 H3T G 15 -21.538 -8.540 9.066 167 1H2* G 15 1H2* G 15 -19.350 -10.374 10.925 168 2H2* G 15 2H2* G 15 -20.633 -10.595 9.743 169 1H5* C 16 1H5* C 16 -17.013 -23.702 5.021 170 2H5* C 16 2H5* C 16 -15.436 -23.941 4.250 171 H4* C 16 H4* C 16 -17.052 -21.968 3.592 172 H3* C 16 H3* C 16 -14.414 -22.469 3.013 173 H1* C 16 H1* C 16 -15.753 -19.117 4.313 174 1H4 C 16 1H4 C 16 -13.798 -16.642 9.804 175 2H4 C 16 2H4 C 16 -12.715 -17.986 10.094 176 H5 C 16 H5 C 16 -12.568 -19.899 8.619 177 H6 C 16 H6 C 16 -13.415 -20.903 6.566 178 H5T C 16 H5T C 16 -15.636 -22.306 6.527 179 1H2* C 16 1H2* C 16 -13.432 -21.080 4.674 180 2H2* C 16 2H2* C 16 -13.654 -19.886 3.404 181 1H5* T 17 1H5* T 17 -17.769 -18.418 2.599 182 2H5* T 17 2H5* T 17 -17.266 -18.462 0.896 183 H4* T 17 H4* T 17 -18.093 -16.260 1.632 184 H3* T 17 H3* T 17 -16.065 -16.616 -0.096 185 1H2* T 17 1H2* T 17 -14.242 -16.509 1.451 186 2H2* T 17 2H2* T 17 -14.358 -14.820 0.982 187 H1* T 17 H1* T 17 -15.622 -14.223 2.928 188 H3 T 17 H3 T 17 -13.277 -14.512 6.726 189 1H5M T 17 1H5M T 17 -12.450 -19.189 4.936 190 2H5M T 17 2H5M T 17 -10.999 -18.221 5.289 191 3H5M T 17 3H5M T 17 -11.538 -18.438 3.607 192 H6 T 17 H6 T 17 -13.745 -17.388 2.958 193 1H5* G 18 1H5* G 18 -17.163 -11.581 1.252 194 2H5* G 18 2H5* G 18 -16.497 -10.949 -0.269 195 H4* G 18 H4* G 18 -16.086 -9.548 1.753 196 H3* G 18 H3* G 18 -14.344 -9.979 -0.367 197 H1* G 18 H1* G 18 -13.461 -9.691 3.317 198 H8 G 18 H8 G 18 -12.729 -13.305 2.079 199 H1 G 18 H1 G 18 -10.388 -11.719 7.846 200 1H2 G 18 1H2 G 18 -11.015 -9.674 8.374 201 2H2 G 18 2H2 G 18 -12.009 -8.699 7.314 202 1H2* G 18 1H2* G 18 -12.758 -11.305 0.807 203 2H2* G 18 2H2* G 18 -12.168 -9.711 1.256 204 1H5* T 19 1H5* T 19 -13.194 -8.821 3.868 205 2H5* T 19 2H5* T 19 -14.303 -7.657 3.109 206 H4* T 19 H4* T 19 -13.935 -6.480 4.965 207 H3* T 19 H3* T 19 -12.429 -5.394 3.016 208 1H2* T 19 1H2* T 19 -10.249 -6.112 3.456 209 2H2* T 19 2H2* T 19 -10.292 -4.966 4.791 210 H1* T 19 H1* T 19 -10.439 -6.600 6.364 211 H3 T 19 H3 T 19 -7.708 -10.109 6.202 212 1H5M T 19 1H5M T 19 -9.054 -11.340 1.997 213 2H5M T 19 2H5M T 19 -10.519 -10.372 1.710 214 3H5M T 19 3H5M T 19 -8.921 -9.717 1.279 215 H6 T 19 H6 T 19 -10.767 -8.238 3.059 216 1H5* G 20 1H5* G 20 -11.444 -4.607 6.902 217 2H5* G 20 2H5* G 20 -11.608 -2.957 7.536 218 H4* G 20 H4* G 20 -9.853 -3.735 8.760 219 H3* G 20 H3* G 20 -9.068 -1.894 6.773 220 H1* G 20 H1* G 20 -7.167 -4.991 8.108 221 H8 G 20 H8 G 20 -8.175 -5.272 4.366 222 H1 G 20 H1 G 20 -3.911 -9.582 6.484 223 1H2 G 20 1H2 G 20 -3.482 -9.232 8.620 224 2H2 G 20 2H2 G 20 -4.245 -7.943 9.526 225 1H2* G 20 1H2* G 20 -7.547 -3.263 5.616 226 2H2* G 20 2H2* G 20 -6.517 -2.969 7.010 227 1H5* G 21 1H5* G 21 -7.304 -2.632 10.572 228 2H5* G 21 2H5* G 21 -6.848 -1.326 11.685 229 H4* G 21 H4* G 21 -5.509 -3.107 12.311 230 H3* G 21 H3* G 21 -4.201 -0.882 11.449 231 H1* G 21 H1* G 21 -3.123 -4.440 10.438 232 H8 G 21 H8 G 21 -5.049 -2.701 7.550 233 H1 G 21 H1 G 21 -1.495 -7.790 5.907 234 1H2 G 21 1H2 G 21 -0.493 -8.619 7.687 235 2H2 G 21 2H2 G 21 -0.694 -7.924 9.280 236 1H2* G 21 1H2* G 21 -3.595 -1.653 9.272 237 2H2* G 21 2H2* G 21 -2.210 -2.230 10.190 238 1H5* C 22 1H5* C 22 -2.201 -5.418 11.838 239 2H5* C 22 2H5* C 22 -1.787 -4.752 13.433 240 H4* C 22 H4* C 22 -0.299 -6.511 13.145 241 H3* C 22 H3* C 22 0.863 -4.173 13.565 242 H1* C 22 H1* C 22 1.956 -6.048 10.230 243 1H4 C 22 1H4 C 22 -0.600 -3.864 4.874 244 2H4 C 22 2H4 C 22 -1.414 -2.565 5.716 245 H5 C 22 H5 C 22 -1.341 -2.316 8.123 246 H6 C 22 H6 C 22 -0.460 -3.245 10.197 247 1H2* C 22 1H2* C 22 1.089 -3.376 11.325 248 2H2* C 22 2H2* C 22 2.632 -4.203 11.495 249 1H5* C 23 1H5* C 23 3.121 -7.228 11.865 250 2H5* C 23 2H5* C 23 4.507 -7.967 12.693 251 H4* C 23 H4* C 23 5.115 -8.329 10.550 252 H3* C 23 H3* C 23 6.554 -6.182 11.649 253 H1* C 23 H1* C 23 5.302 -6.635 8.029 254 1H4 C 23 1H4 C 23 1.934 -2.005 5.309 255 2H4 C 23 2H4 C 23 1.585 -1.256 6.850 256 H5 C 23 H5 C 23 2.395 -2.144 8.958 257 H6 C 23 H6 C 23 3.686 -3.932 10.003 258 1H2* C 23 1H2* C 23 5.842 -4.501 10.153 259 2H2* C 23 2H2* C 23 6.989 -5.280 9.072 260 1H5* C 24 1H5* C 24 8.161 -9.027 8.428 261 2H5* C 24 2H5* C 24 9.896 -9.335 8.647 262 H4* C 24 H4* C 24 9.334 -9.662 6.357 263 H3* C 24 H3* C 24 11.435 -8.089 7.041 264 H1* C 24 H1* C 24 8.908 -7.031 4.314 265 1H4 C 24 1H4 C 24 5.487 -1.753 5.052 266 2H4 C 24 2H4 C 24 5.648 -1.809 6.793 267 H5 C 24 H5 C 24 6.897 -3.535 7.945 268 H6 C 24 H6 C 24 8.240 -5.551 7.662 269 1H2* C 24 1H2* C 24 10.397 -5.957 6.755 270 2H2* C 24 2H2* C 24 11.011 -6.214 5.128 271 1H5* T 25 1H5* T 25 9.884 -8.869 2.068 272 2H5* T 25 2H5* T 25 11.581 -9.325 1.807 273 H4* T 25 H4* T 25 10.447 -8.451 -0.209 274 H3* T 25 H3* T 25 13.028 -8.016 0.409 275 1H2* T 25 1H2* T 25 12.824 -5.903 1.507 276 2H2* T 25 2H2* T 25 13.055 -5.357 -0.148 277 H1* T 25 H1* T 25 10.738 -4.987 -0.512 278 H3 T 25 H3 T 25 9.082 -1.644 1.932 279 1H5M T 25 1H5M T 25 10.726 -4.153 5.808 280 2H5M T 25 2H5M T 25 12.315 -4.554 5.114 281 3H5M T 25 3H5M T 25 11.902 -2.860 5.473 282 H6 T 25 H6 T 25 11.793 -5.423 2.996 283 1H5* G 26 1H5* G 26 11.364 -6.267 -3.018 284 2H5* G 26 2H5* G 26 11.824 -6.683 -4.682 285 H4* G 26 H4* G 26 11.222 -4.562 -5.067 286 H3* G 26 H3* G 26 14.023 -4.666 -4.768 287 H1* G 26 H1* G 26 11.568 -1.889 -3.656 288 H8 G 26 H8 G 26 13.239 -3.724 -0.668 289 H1 G 26 H1 G 26 10.617 1.991 0.629 290 1H2 G 26 1H2 G 26 9.739 2.853 -1.200 291 2H2 G 26 2H2 G 26 9.800 2.026 -2.742 292 1H2* G 26 1H2* G 26 14.227 -3.208 -2.932 293 2H2* G 26 2H2* G 26 13.908 -1.965 -4.133 294 1H5* A 27 1H5* A 27 11.545 -1.528 -6.789 295 2H5* A 27 2H5* A 27 12.182 -1.313 -8.434 296 H4* A 27 H4* A 27 10.889 0.581 -7.978 297 H3* A 27 H3* A 27 13.422 0.990 -8.746 298 H1* A 27 H1* A 27 12.097 2.855 -5.538 299 H8 A 27 H8 A 27 14.096 -0.402 -4.813 300 1H6 A 27 1H6 A 27 14.637 1.839 0.929 301 2H6 A 27 2H6 A 27 15.035 0.511 -0.139 302 H2 A 27 H2 A 27 12.257 4.775 -1.489 303 1H2* A 27 1H2* A 27 14.464 1.301 -6.626 304 2H2* A 27 2H2* A 27 13.982 2.961 -6.947 305 1H5* G 28 1H5* G 28 11.604 4.190 -5.944 306 2H5* G 28 2H5* G 28 10.865 4.887 -7.403 307 H4* G 28 H4* G 28 10.826 6.750 -6.155 308 H3* G 28 H3* G 28 12.779 7.050 -7.931 309 H1* G 28 H1* G 28 13.702 7.601 -4.160 310 H8 G 28 H8 G 28 14.775 4.191 -5.639 311 H1 G 28 H1 G 28 16.674 5.384 0.377 312 1H2 G 28 1H2 G 28 15.826 7.300 1.070 313 2H2 G 28 2H2 G 28 14.794 8.283 0.056 314 1H2* G 28 1H2* G 28 14.601 6.144 -6.669 315 2H2* G 28 2H2* G 28 14.757 7.848 -6.271 316 1H5* C 29 1H5* C 29 11.943 10.970 -5.063 317 2H5* C 29 2H5* C 29 12.885 12.364 -5.630 318 H4* C 29 H4* C 29 12.659 11.928 -3.105 319 H3* C 29 H3* C 29 14.486 13.411 -4.404 320 H1* C 29 H1* C 29 15.612 10.670 -1.932 321 1H4 C 29 1H4 C 29 18.898 5.655 -3.935 322 2H4 C 29 2H4 C 29 18.285 5.811 -5.564 323 H5 C 29 H5 C 29 16.758 7.569 -6.233 324 H6 C 29 H6 C 29 15.512 9.523 -5.472 325 1H2* C 29 1H2* C 29 16.137 11.700 -4.758 326 2H2* C 29 2H2* C 29 16.686 12.376 -3.231 327 1H5* C 30 1H5* C 30 15.934 11.990 0.072 328 2H5* C 30 2H5* C 30 15.864 13.641 0.719 329 H4* C 30 H4* C 30 17.570 12.664 1.928 330 H3* C 30 H3* C 30 18.333 14.777 0.445 331 H1* C 30 H1* C 30 20.430 11.591 0.524 332 1H4 C 30 1H4 C 30 21.248 7.811 -4.462 333 2H4 C 30 2H4 C 30 20.030 8.647 -5.401 334 H5 C 30 H5 C 30 18.759 10.521 -4.525 335 H6 C 30 H6 C 30 18.400 11.948 -2.578 336 H3T C 30 H3T C 30 19.055 14.108 2.574 337 1H2* C 30 1H2* C 30 19.138 13.536 -1.459 338 2H2* C 30 2H2* C 30 20.617 13.769 -0.537 339 1H ASP 10 1H ASP 10 -4.278 11.948 10.412 340 HA ASP 10 HA ASP 10 -6.474 11.844 10.933 341 1HB ASP 10 1HB ASP 10 -5.988 14.786 11.280 342 2HB ASP 10 2HB ASP 10 -7.605 14.117 11.470 343 H GLU 11 H GLU 11 -5.442 12.568 8.111 344 HA GLU 11 HA GLU 11 -7.708 13.701 6.798 345 1HB GLU 11 1HB GLU 11 -5.340 12.123 5.787 346 2HB GLU 11 2HB GLU 11 -6.590 12.748 4.729 347 1HG GLU 11 1HG GLU 11 -4.879 14.433 6.527 348 2HG GLU 11 2HG GLU 11 -4.596 14.156 4.809 349 H LEU 12 H LEU 12 -9.106 12.536 5.316 350 HA LEU 12 HA LEU 12 -9.659 9.832 6.335 351 1HB LEU 12 1HB LEU 12 -11.605 11.836 5.190 352 2HB LEU 12 2HB LEU 12 -12.008 10.233 5.769 353 HG LEU 12 HG LEU 12 -10.912 12.464 7.483 354 1HD1 LEU 12 1HD1 LEU 12 -13.158 12.546 8.436 355 2HD1 LEU 12 2HD1 LEU 12 -13.700 11.344 7.265 356 3HD1 LEU 12 3HD1 LEU 12 -13.172 12.934 6.717 357 1HD2 LEU 12 1HD2 LEU 12 -11.480 10.992 9.352 358 2HD2 LEU 12 2HD2 LEU 12 -10.281 10.250 8.293 359 3HD2 LEU 12 3HD2 LEU 12 -11.964 9.733 8.217 360 H CYS 13 H CYS 13 -10.080 8.214 4.943 361 HA CYS 13 HA CYS 13 -9.165 8.381 2.257 362 1HB CYS 13 1HB CYS 13 -9.127 6.329 3.735 363 2HB CYS 13 2HB CYS 13 -10.871 6.222 3.531 364 HG CYS 13 HG CYS 13 -8.991 6.281 0.720 365 HA PRO 14 HA PRO 14 -12.874 10.505 1.084 366 1HB PRO 14 1HB PRO 14 -12.271 10.887 -1.531 367 2HB PRO 14 2HB PRO 14 -11.507 11.794 -0.221 368 1HG PRO 14 1HG PRO 14 -10.491 9.400 -1.708 369 2HG PRO 14 2HG PRO 14 -9.631 10.889 -1.269 370 1HD PRO 14 1HD PRO 14 -9.364 8.610 0.144 371 2HD PRO 14 2HD PRO 14 -9.311 10.209 0.914 372 H VAL 15 H VAL 15 -12.448 7.362 0.522 373 HA VAL 15 HA VAL 15 -14.735 7.213 -1.314 374 HB VAL 15 HB VAL 15 -12.910 6.083 -2.299 375 1HG1 VAL 15 1HG1 VAL 15 -11.626 5.748 -0.165 376 2HG1 VAL 15 2HG1 VAL 15 -11.516 4.479 -1.380 377 3HG1 VAL 15 3HG1 VAL 15 -12.555 4.258 0.023 378 1HG2 VAL 15 1HG2 VAL 15 -14.760 4.050 -1.101 379 2HG2 VAL 15 2HG2 VAL 15 -13.729 3.784 -2.507 380 3HG2 VAL 15 3HG2 VAL 15 -15.032 4.970 -2.582 381 H CYS 16 H CYS 16 -13.314 5.345 1.317 382 HA CYS 16 HA CYS 16 -15.943 4.297 1.997 383 1HB CYS 16 1HB CYS 16 -14.657 2.811 3.535 384 2HB CYS 16 2HB CYS 16 -14.184 2.680 1.843 385 HG CYS 16 HG CYS 16 -12.373 3.448 4.485 386 H GLY 17 H GLY 17 -13.749 6.684 3.176 387 1HA GLY 17 1HA GLY 17 -14.251 8.308 4.768 388 2HA GLY 17 2HA GLY 17 -15.638 7.359 5.270 389 H ASP 18 H ASP 18 -12.530 5.832 5.060 390 HA ASP 18 HA ASP 18 -12.417 5.657 7.982 391 1HB ASP 18 1HB ASP 18 -10.877 4.192 5.826 392 2HB ASP 18 2HB ASP 18 -10.565 4.004 7.547 393 H LYS 19 H LYS 19 -10.313 5.989 9.052 394 HA LYS 19 HA LYS 19 -9.045 8.393 8.171 395 1HB LYS 19 1HB LYS 19 -8.246 6.441 10.338 396 2HB LYS 19 2HB LYS 19 -7.535 8.031 10.100 397 1HG LYS 19 1HG LYS 19 -9.649 9.094 10.591 398 2HG LYS 19 2HG LYS 19 -10.436 7.520 10.727 399 1HD LYS 19 1HD LYS 19 -9.949 8.377 12.933 400 2HD LYS 19 2HD LYS 19 -8.936 6.970 12.609 401 1HE LYS 19 1HE LYS 19 -7.128 8.582 11.910 402 2HE LYS 19 2HE LYS 19 -8.142 9.873 12.553 403 1HZ LYS 19 1HZ LYS 19 -6.589 9.228 14.223 404 2HZ LYS 19 2HZ LYS 19 -6.990 7.587 14.054 405 3HZ LYS 19 3HZ LYS 19 -8.118 8.673 14.706 406 H VAL 20 H VAL 20 -7.060 8.697 7.226 407 HA VAL 20 HA VAL 20 -6.184 6.565 5.533 408 HB VAL 20 HB VAL 20 -4.565 8.134 4.634 409 1HG1 VAL 20 1HG1 VAL 20 -7.243 9.419 5.139 410 2HG1 VAL 20 2HG1 VAL 20 -6.854 8.283 3.847 411 3HG1 VAL 20 3HG1 VAL 20 -6.103 9.878 3.874 412 1HG2 VAL 20 1HG2 VAL 20 -5.421 9.984 6.860 413 2HG2 VAL 20 2HG2 VAL 20 -4.353 10.408 5.521 414 3HG2 VAL 20 3HG2 VAL 20 -3.848 9.202 6.705 415 H SER 21 H SER 21 -4.137 5.604 5.419 416 HA SER 21 HA SER 21 -2.650 5.636 7.954 417 1HB SER 21 1HB SER 21 -3.636 3.445 7.249 418 2HB SER 21 2HB SER 21 -2.624 3.497 5.807 419 HG SER 21 HG SER 21 -0.857 3.793 7.501 420 H GLY 22 H GLY 22 -2.540 6.599 4.706 421 1HA GLY 22 1HA GLY 22 -0.251 7.997 4.701 422 2HA GLY 22 2HA GLY 22 0.336 6.364 4.431 423 H TYR 23 H TYR 23 1.057 7.777 2.493 424 HA TYR 23 HA TYR 23 -0.918 8.258 0.463 425 1HB TYR 23 1HB TYR 23 2.103 8.298 0.318 426 2HB TYR 23 2HB TYR 23 1.019 8.866 -0.945 427 HD1 TYR 23 HD1 TYR 23 2.289 9.535 2.445 428 HD2 TYR 23 HD2 TYR 23 -0.026 11.008 -0.806 429 HE1 TYR 23 HE1 TYR 23 2.296 11.771 3.463 430 HE2 TYR 23 HE2 TYR 23 -0.025 13.251 0.204 431 HH TYR 23 HH TYR 23 0.281 14.312 2.334 432 H HIS 24 H HIS 24 -1.731 6.745 -0.802 433 HA HIS 24 HA HIS 24 0.062 4.667 -1.842 434 1HB HIS 24 1HB HIS 24 -2.771 4.133 -0.908 435 2HB HIS 24 2HB HIS 24 -1.698 2.968 -1.667 436 HD1 HIS 24 HD1 HIS 24 0.824 3.203 -0.037 437 HD2 HIS 24 HD2 HIS 24 -2.968 3.359 1.655 438 HE1 HIS 24 HE1 HIS 24 1.121 2.493 2.356 439 HE2 HIS 24 HE2 HIS 24 -1.227 2.322 3.268 440 H TYR 25 H TYR 25 0.113 4.918 -3.961 441 HA TYR 25 HA TYR 25 -0.521 5.111 -6.126 442 1HB TYR 25 1HB TYR 25 -3.375 4.881 -5.149 443 2HB TYR 25 2HB TYR 25 -2.793 4.601 -6.788 444 HD1 TYR 25 HD1 TYR 25 -3.777 3.033 -3.839 445 HD2 TYR 25 HD2 TYR 25 -0.843 2.764 -6.907 446 HE1 TYR 25 HE1 TYR 25 -3.420 0.666 -3.281 447 HE2 TYR 25 HE2 TYR 25 -0.482 0.397 -6.361 448 HH TYR 25 HH TYR 25 -0.789 -1.146 -4.595 449 H GLY 26 H GLY 26 -0.277 7.410 -4.332 450 1HA GLY 26 1HA GLY 26 -0.165 9.660 -5.077 451 2HA GLY 26 2HA GLY 26 -1.549 9.357 -6.116 452 H LEU 27 H LEU 27 -2.859 7.980 -3.750 453 HA LEU 27 HA LEU 27 -3.852 10.464 -2.520 454 1HB LEU 27 1HB LEU 27 -5.181 8.002 -3.503 455 2HB LEU 27 2HB LEU 27 -5.856 8.759 -2.073 456 HG LEU 27 HG LEU 27 -5.389 10.284 -4.624 457 1HD1 LEU 27 1HD1 LEU 27 -7.881 8.851 -3.715 458 2HD1 LEU 27 2HD1 LEU 27 -6.877 8.408 -5.096 459 3HD1 LEU 27 3HD1 LEU 27 -7.761 9.934 -5.102 460 1HD2 LEU 27 1HD2 LEU 27 -5.654 11.640 -2.641 461 2HD2 LEU 27 2HD2 LEU 27 -7.102 10.739 -2.187 462 3HD2 LEU 27 3HD2 LEU 27 -7.110 11.752 -3.634 463 H LEU 28 H LEU 28 -4.239 10.540 -0.328 464 HA LEU 28 HA LEU 28 -2.939 8.603 1.330 465 1HB LEU 28 1HB LEU 28 -4.808 10.865 2.052 466 2HB LEU 28 2HB LEU 28 -3.963 9.865 3.218 467 HG LEU 28 HG LEU 28 -1.854 10.708 1.823 468 1HD1 LEU 28 1HD1 LEU 28 -3.161 12.005 0.233 469 2HD1 LEU 28 2HD1 LEU 28 -2.125 13.051 1.206 470 3HD1 LEU 28 3HD1 LEU 28 -3.851 12.949 1.555 471 1HD2 LEU 28 1HD2 LEU 28 -1.557 12.429 3.535 472 2HD2 LEU 28 2HD2 LEU 28 -2.159 10.917 4.221 473 3HD2 LEU 28 3HD2 LEU 28 -3.259 12.276 3.978 474 H THR 29 H THR 29 -3.753 6.701 1.772 475 HA THR 29 HA THR 29 -6.659 6.395 1.968 476 HB THR 29 HB THR 29 -6.403 4.219 0.677 477 HG1 THR 29 HG1 THR 29 -4.230 5.244 -0.684 478 1HG2 THR 29 1HG2 THR 29 -5.895 6.819 -0.790 479 2HG2 THR 29 2HG2 THR 29 -7.471 6.184 -0.314 480 3HG2 THR 29 3HG2 THR 29 -6.506 5.333 -1.521 481 H CYS 30 H CYS 30 -7.237 4.241 2.883 482 HA CYS 30 HA CYS 30 -5.443 3.599 5.081 483 1HB CYS 30 1HB CYS 30 -7.470 2.173 5.772 484 2HB CYS 30 2HB CYS 30 -7.665 3.923 5.803 485 HG CYS 30 HG CYS 30 -10.040 2.859 4.857 486 H GLU 31 H GLU 31 -4.936 1.361 5.581 487 HA GLU 31 HA GLU 31 -3.965 -0.120 3.421 488 1HB GLU 31 1HB GLU 31 -4.644 -1.096 6.203 489 2HB GLU 31 2HB GLU 31 -3.612 -1.930 5.050 490 1HG GLU 31 1HG GLU 31 -3.072 0.749 6.314 491 2HG GLU 31 2HG GLU 31 -2.283 -0.778 6.710 492 H SER 32 H SER 32 -7.026 -0.119 5.036 493 HA SER 32 HA SER 32 -8.263 -2.417 4.208 494 1HB SER 32 1HB SER 32 -9.707 0.199 4.005 495 2HB SER 32 2HB SER 32 -10.242 -1.320 4.726 496 HG SER 32 HG SER 32 -9.768 -0.131 6.465 497 H CYS 33 H CYS 33 -8.142 0.681 2.444 498 HA CYS 33 HA CYS 33 -9.402 -0.478 0.135 499 1HB CYS 33 1HB CYS 33 -8.218 2.258 0.615 500 2HB CYS 33 2HB CYS 33 -9.030 1.780 -0.874 501 HG CYS 33 HG CYS 33 -10.422 3.240 1.509 502 H LYS 34 H LYS 34 -6.127 0.400 1.098 503 HA LYS 34 HA LYS 34 -4.804 0.060 -1.323 504 1HB LYS 34 1HB LYS 34 -3.736 0.745 0.838 505 2HB LYS 34 2HB LYS 34 -3.821 -0.932 1.361 506 1HG LYS 34 1HG LYS 34 -2.484 -1.468 -0.752 507 2HG LYS 34 2HG LYS 34 -2.163 0.265 -0.830 508 1HD LYS 34 1HD LYS 34 -0.331 -0.739 0.311 509 2HD LYS 34 2HD LYS 34 -1.294 0.109 1.522 510 1HE LYS 34 1HE LYS 34 -2.352 -1.993 2.164 511 2HE LYS 34 2HE LYS 34 -1.431 -2.847 0.929 512 1HZ LYS 34 1HZ LYS 34 -0.359 -3.164 3.008 513 2HZ LYS 34 2HZ LYS 34 -0.372 -1.506 3.361 514 3HZ LYS 34 3HZ LYS 34 0.611 -2.105 2.112 515 H GLY 35 H GLY 35 -5.607 -2.411 1.116 516 1HA GLY 35 1HA GLY 35 -4.618 -4.615 -0.348 517 2HA GLY 35 2HA GLY 35 -5.777 -4.693 0.972 518 H PHE 36 H PHE 36 -7.917 -3.322 -0.025 519 HA PHE 36 HA PHE 36 -9.193 -5.242 -1.618 520 1HB PHE 36 1HB PHE 36 -10.452 -3.733 -0.186 521 2HB PHE 36 2HB PHE 36 -9.922 -2.346 -1.131 522 HD1 PHE 36 HD1 PHE 36 -11.874 -5.494 -1.357 523 HD2 PHE 36 HD2 PHE 36 -11.170 -1.613 -2.956 524 HE1 PHE 36 HE1 PHE 36 -13.848 -5.736 -2.805 525 HE2 PHE 36 HE2 PHE 36 -13.144 -1.848 -4.405 526 HZ PHE 36 HZ PHE 36 -14.486 -3.912 -4.329 527 H PHE 37 H PHE 37 -7.700 -2.151 -2.487 528 HA PHE 37 HA PHE 37 -8.507 -2.096 -5.171 529 1HB PHE 37 1HB PHE 37 -7.358 -0.263 -3.724 530 2HB PHE 37 2HB PHE 37 -5.857 -1.000 -4.274 531 HD1 PHE 37 HD1 PHE 37 -9.033 0.451 -5.527 532 HD2 PHE 37 HD2 PHE 37 -4.927 -0.351 -6.309 533 HE1 PHE 37 HE1 PHE 37 -9.172 1.785 -7.586 534 HE2 PHE 37 HE2 PHE 37 -5.060 0.983 -8.375 535 HZ PHE 37 HZ PHE 37 -7.189 2.056 -9.014 536 H LYS 38 H LYS 38 -5.499 -3.312 -3.683 537 HA LYS 38 HA LYS 38 -4.289 -4.231 -6.029 538 1HB LYS 38 1HB LYS 38 -4.076 -5.441 -3.268 539 2HB LYS 38 2HB LYS 38 -2.986 -5.759 -4.608 540 1HG LYS 38 1HG LYS 38 -2.534 -3.240 -4.585 541 2HG LYS 38 2HG LYS 38 -3.303 -3.257 -2.998 542 1HD LYS 38 1HD LYS 38 -0.809 -4.711 -3.865 543 2HD LYS 38 2HD LYS 38 -0.954 -3.448 -2.647 544 1HE LYS 38 1HE LYS 38 -0.802 -5.331 -1.330 545 2HE LYS 38 2HE LYS 38 -2.550 -5.158 -1.479 546 1HZ LYS 38 1HZ LYS 38 -2.519 -6.808 -3.255 547 2HZ LYS 38 2HZ LYS 38 -1.858 -7.451 -1.834 548 3HZ LYS 38 3HZ LYS 38 -0.843 -6.974 -3.103 549 H ARG 39 H ARG 39 -6.466 -5.933 -3.784 550 HA ARG 39 HA ARG 39 -6.414 -8.446 -4.966 551 1HB ARG 39 1HB ARG 39 -8.666 -7.007 -3.569 552 2HB ARG 39 2HB ARG 39 -8.782 -8.681 -4.092 553 1HG ARG 39 1HG ARG 39 -6.786 -7.576 -2.137 554 2HG ARG 39 2HG ARG 39 -8.218 -8.524 -1.734 555 1HD ARG 39 1HD ARG 39 -5.776 -9.411 -3.258 556 2HD ARG 39 2HD ARG 39 -6.328 -9.982 -1.685 557 HE ARG 39 HE ARG 39 -8.371 -10.534 -3.463 558 1HH1 ARG 39 1HH1 ARG 39 -5.024 -11.443 -3.003 559 2HH1 ARG 39 2HH1 ARG 39 -5.191 -12.974 -3.816 560 1HH2 ARG 39 1HH2 ARG 39 -8.605 -12.540 -4.541 561 2HH2 ARG 39 2HH2 ARG 39 -7.218 -13.581 -4.718 562 H THR 40 H THR 40 -8.373 -5.633 -5.752 563 HA THR 40 HA THR 40 -9.934 -6.912 -7.743 564 HB THR 40 HB THR 40 -9.393 -3.960 -7.382 565 HG1 THR 40 HG1 THR 40 -10.295 -4.607 -5.492 566 1HG2 THR 40 1HG2 THR 40 -10.405 -4.486 -9.539 567 2HG2 THR 40 2HG2 THR 40 -11.574 -3.686 -8.490 568 3HG2 THR 40 3HG2 THR 40 -11.660 -5.430 -8.736 569 H VAL 41 H VAL 41 -7.225 -4.568 -8.015 570 HA VAL 41 HA VAL 41 -7.293 -4.612 -10.848 571 HB VAL 41 HB VAL 41 -5.121 -3.392 -10.724 572 1HG1 VAL 41 1HG1 VAL 41 -7.373 -2.344 -9.014 573 2HG1 VAL 41 2HG1 VAL 41 -7.242 -2.202 -10.766 574 3HG1 VAL 41 3HG1 VAL 41 -6.089 -1.368 -9.726 575 1HG2 VAL 41 1HG2 VAL 41 -5.549 -3.662 -7.761 576 2HG2 VAL 41 2HG2 VAL 41 -4.366 -2.608 -8.533 577 3HG2 VAL 41 3HG2 VAL 41 -4.228 -4.357 -8.698 578 H GLN 42 H GLN 42 -5.175 -6.225 -8.508 579 HA GLN 42 HA GLN 42 -3.311 -7.204 -10.359 580 1HB GLN 42 1HB GLN 42 -4.126 -8.166 -7.632 581 2HB GLN 42 2HB GLN 42 -2.900 -8.997 -8.577 582 1HG GLN 42 1HG GLN 42 -1.637 -6.850 -8.693 583 2HG GLN 42 2HG GLN 42 -2.819 -6.159 -7.582 584 1HE2 GLN 42 1HE2 GLN 42 -0.233 -8.446 -7.959 585 2HE2 GLN 42 2HE2 GLN 42 0.075 -8.697 -6.278 586 H ASN 43 H ASN 43 -6.376 -8.590 -9.244 587 HA ASN 43 HA ASN 43 -5.858 -10.963 -10.868 588 1HB ASN 43 1HB ASN 43 -8.126 -10.329 -8.969 589 2HB ASN 43 2HB ASN 43 -7.951 -11.842 -9.851 590 1HD2 ASN 43 1HD2 ASN 43 -6.846 -9.915 -7.212 591 2HD2 ASN 43 2HD2 ASN 43 -5.831 -11.115 -6.487 592 H ASN 44 H ASN 44 -7.043 -7.954 -11.329 593 HA ASN 44 HA ASN 44 -8.349 -6.922 -12.865 594 1HB ASN 44 1HB ASN 44 -7.848 -9.540 -14.278 595 2HB ASN 44 2HB ASN 44 -8.780 -8.244 -15.018 596 1HD2 ASN 44 1HD2 ASN 44 -5.653 -9.252 -13.925 597 2HD2 ASN 44 2HD2 ASN 44 -4.747 -7.996 -14.692 598 H LYS 45 H LYS 45 -9.572 -8.024 -10.708 599 HA LYS 45 HA LYS 45 -11.770 -9.710 -11.292 600 1HB LYS 45 1HB LYS 45 -11.062 -7.944 -8.962 601 2HB LYS 45 2HB LYS 45 -12.534 -8.888 -9.002 602 1HG LYS 45 1HG LYS 45 -11.227 -10.938 -9.216 603 2HG LYS 45 2HG LYS 45 -9.746 -9.982 -9.164 604 1HD LYS 45 1HD LYS 45 -10.212 -10.942 -6.979 605 2HD LYS 45 2HD LYS 45 -10.349 -9.185 -6.922 606 1HE LYS 45 1HE LYS 45 -12.161 -10.224 -5.680 607 2HE LYS 45 2HE LYS 45 -12.788 -9.376 -7.092 608 1HZ LYS 45 1HZ LYS 45 -12.371 -12.311 -6.839 609 2HZ LYS 45 2HZ LYS 45 -12.888 -11.528 -8.250 610 3HZ LYS 45 3HZ LYS 45 -13.860 -11.502 -6.864 611 H HIS 46 H HIS 46 -13.652 -9.244 -12.175 612 HA HIS 46 HA HIS 46 -14.521 -6.430 -12.220 613 1HB HIS 46 1HB HIS 46 -15.261 -8.746 -14.017 614 2HB HIS 46 2HB HIS 46 -16.046 -7.173 -14.074 615 HD1 HIS 46 HD1 HIS 46 -14.481 -8.394 -16.480 616 HD2 HIS 46 HD2 HIS 46 -12.933 -5.668 -13.745 617 HE1 HIS 46 HE1 HIS 46 -12.600 -7.223 -17.675 618 HE2 HIS 46 HE2 HIS 46 -11.840 -5.423 -16.077 619 H TYR 47 H TYR 47 -15.877 -6.006 -10.631 620 HA TYR 47 HA TYR 47 -17.614 -8.058 -9.546 621 1HB TYR 47 1HB TYR 47 -17.416 -5.126 -8.817 622 2HB TYR 47 2HB TYR 47 -18.251 -6.375 -7.899 623 HD1 TYR 47 HD1 TYR 47 -15.045 -4.866 -8.691 624 HD2 TYR 47 HD2 TYR 47 -16.962 -8.080 -6.672 625 HE1 TYR 47 HE1 TYR 47 -12.979 -5.302 -7.438 626 HE2 TYR 47 HE2 TYR 47 -14.900 -8.526 -5.412 627 HH TYR 47 HH TYR 47 -12.187 -6.351 -5.506 628 H THR 48 H THR 48 -19.967 -7.302 -9.110 629 HA THR 48 HA THR 48 -20.992 -5.718 -11.349 630 HB THR 48 HB THR 48 -22.024 -8.485 -10.697 631 HG1 THR 48 HG1 THR 48 -19.983 -7.738 -12.204 632 1HG2 THR 48 1HG2 THR 48 -23.458 -8.168 -12.663 633 2HG2 THR 48 2HG2 THR 48 -22.848 -6.523 -12.845 634 3HG2 THR 48 3HG2 THR 48 -23.798 -6.958 -11.424 635 H CYS 49 H CYS 49 -22.325 -4.256 -10.618 636 HA CYS 49 HA CYS 49 -23.949 -4.869 -8.235 637 1HB CYS 49 1HB CYS 49 -22.300 -3.009 -7.946 638 2HB CYS 49 2HB CYS 49 -23.109 -2.138 -9.244 639 HG CYS 49 HG CYS 49 -25.573 -2.013 -7.812 640 H THR 50 H THR 50 -23.857 -3.268 -11.372 641 HA THR 50 HA THR 50 -25.396 -2.569 -12.846 642 HB THR 50 HB THR 50 -27.399 -4.054 -13.204 643 HG1 THR 50 HG1 THR 50 -26.781 -4.911 -10.768 644 1HG2 THR 50 1HG2 THR 50 -25.319 -4.371 -14.421 645 2HG2 THR 50 2HG2 THR 50 -26.055 -5.928 -14.042 646 3HG2 THR 50 3HG2 THR 50 -24.678 -5.352 -13.102 647 H GLU 51 H GLU 51 -27.842 -2.079 -13.201 648 HA GLU 51 HA GLU 51 -29.558 -0.687 -12.764 649 1HB GLU 51 1HB GLU 51 -29.137 -1.529 -9.893 650 2HB GLU 51 2HB GLU 51 -30.537 -0.653 -10.501 651 1HG GLU 51 1HG GLU 51 -29.685 -3.428 -11.294 652 2HG GLU 51 2HG GLU 51 -31.043 -3.003 -10.256 653 H SER 52 H SER 52 -27.301 -0.253 -10.053 654 HA SER 52 HA SER 52 -26.850 2.497 -10.926 655 1HB SER 52 1HB SER 52 -27.460 1.724 -8.058 656 2HB SER 52 2HB SER 52 -27.044 3.338 -8.632 657 HG SER 52 HG SER 52 -29.099 2.369 -10.064 658 H GLN 53 H GLN 53 -24.816 1.897 -11.645 659 HA GLN 53 HA GLN 53 -22.982 0.386 -10.090 660 1HB GLN 53 1HB GLN 53 -22.473 2.292 -12.381 661 2HB GLN 53 2HB GLN 53 -21.278 1.193 -11.703 662 1HG GLN 53 1HG GLN 53 -22.734 -0.707 -12.320 663 2HG GLN 53 2HG GLN 53 -23.838 0.432 -13.091 664 1HE2 GLN 53 1HE2 GLN 53 -23.209 1.458 -15.000 665 2HE2 GLN 53 2HE2 GLN 53 -21.897 0.872 -15.959 666 H SER 54 H SER 54 -24.054 3.571 -9.869 667 HA SER 54 HA SER 54 -21.786 4.302 -8.163 668 1HB SER 54 1HB SER 54 -22.245 5.841 -10.082 669 2HB SER 54 2HB SER 54 -23.845 6.146 -9.408 670 HG SER 54 HG SER 54 -21.318 6.956 -8.489 671 H CYS 55 H CYS 55 -22.663 3.022 -6.478 672 HA CYS 55 HA CYS 55 -25.108 4.005 -5.232 673 1HB CYS 55 1HB CYS 55 -23.277 1.712 -4.499 674 2HB CYS 55 2HB CYS 55 -24.724 2.153 -3.601 675 HG CYS 55 HG CYS 55 -24.829 1.267 -6.906 676 H LYS 56 H LYS 56 -25.010 4.361 -2.824 677 HA LYS 56 HA LYS 56 -23.084 6.414 -2.323 678 1HB LYS 56 1HB LYS 56 -25.094 5.173 -0.433 679 2HB LYS 56 2HB LYS 56 -24.245 6.696 -0.195 680 1HG LYS 56 1HG LYS 56 -25.377 7.661 -2.111 681 2HG LYS 56 2HG LYS 56 -26.185 6.125 -2.427 682 1HD LYS 56 1HD LYS 56 -26.488 7.598 0.177 683 2HD LYS 56 2HD LYS 56 -27.526 7.917 -1.209 684 1HE LYS 56 1HE LYS 56 -28.660 6.371 0.209 685 2HE LYS 56 2HE LYS 56 -28.125 5.493 -1.222 686 1HZ LYS 56 1HZ LYS 56 -26.597 5.512 1.317 687 2HZ LYS 56 2HZ LYS 56 -26.397 4.471 -0.006 688 3HZ LYS 56 3HZ LYS 56 -27.778 4.350 0.969 689 H ILE 57 H ILE 57 -21.022 5.705 -2.049 690 HA ILE 57 HA ILE 57 -20.453 3.349 -0.514 691 HB ILE 57 HB ILE 57 -18.539 5.470 -1.503 692 1HG1 ILE 57 1HG1 ILE 57 -19.681 4.387 -3.350 693 2HG1 ILE 57 2HG1 ILE 57 -18.032 3.773 -3.258 694 1HG2 ILE 57 1HG2 ILE 57 -17.605 4.206 0.357 695 2HG2 ILE 57 2HG2 ILE 57 -16.817 3.740 -1.151 696 3HG2 ILE 57 3HG2 ILE 57 -18.038 2.688 -0.431 697 1HD1 ILE 57 1HD1 ILE 57 -20.506 2.381 -2.256 698 2HD1 ILE 57 2HD1 ILE 57 -18.858 1.770 -2.110 699 3HD1 ILE 57 3HD1 ILE 57 -19.584 1.978 -3.703 700 H ASP 58 H ASP 58 -20.570 3.264 1.538 701 HA ASP 58 HA ASP 58 -19.679 5.471 3.231 702 1HB ASP 58 1HB ASP 58 -22.136 5.724 2.930 703 2HB ASP 58 2HB ASP 58 -22.358 4.067 3.465 704 H LYS 59 H LYS 59 -20.030 4.441 5.660 705 HA LYS 59 HA LYS 59 -18.332 2.125 5.679 706 1HB LYS 59 1HB LYS 59 -19.801 3.404 7.988 707 2HB LYS 59 2HB LYS 59 -18.427 2.308 8.095 708 1HG LYS 59 1HG LYS 59 -17.150 4.071 6.749 709 2HG LYS 59 2HG LYS 59 -18.484 5.153 7.146 710 1HD LYS 59 1HD LYS 59 -16.800 5.513 8.780 711 2HD LYS 59 2HD LYS 59 -18.077 4.581 9.566 712 1HE LYS 59 1HE LYS 59 -16.804 2.537 9.267 713 2HE LYS 59 2HE LYS 59 -15.551 3.422 8.397 714 1HZ LYS 59 1HZ LYS 59 -14.864 3.065 10.648 715 2HZ LYS 59 2HZ LYS 59 -16.290 3.748 11.254 716 3HZ LYS 59 3HZ LYS 59 -15.164 4.721 10.437 717 H THR 60 H THR 60 -21.658 2.753 5.613 718 HA THR 60 HA THR 60 -22.526 0.191 6.568 719 HB THR 60 HB THR 60 -24.709 0.919 5.439 720 HG1 THR 60 HG1 THR 60 -23.441 3.468 5.353 721 1HG2 THR 60 1HG2 THR 60 -25.201 2.549 7.204 722 2HG2 THR 60 2HG2 THR 60 -23.477 2.709 7.537 723 3HG2 THR 60 3HG2 THR 60 -24.295 1.176 7.839 724 H GLN 61 H GLN 61 -22.206 1.682 3.339 725 HA GLN 61 HA GLN 61 -22.834 -0.898 2.118 726 1HB GLN 61 1HB GLN 61 -22.588 1.856 0.898 727 2HB GLN 61 2HB GLN 61 -22.980 0.398 -0.003 728 1HG GLN 61 1HG GLN 61 -24.969 0.123 1.504 729 2HG GLN 61 2HG GLN 61 -24.612 1.729 2.140 730 1HE2 GLN 61 1HE2 GLN 61 -25.657 -0.086 -0.647 731 2HE2 GLN 61 2HE2 GLN 61 -26.315 1.260 -1.511 732 H ARG 62 H ARG 62 -20.173 -0.060 3.366 733 HA ARG 62 HA ARG 62 -18.279 0.261 1.306 734 1HB ARG 62 1HB ARG 62 -16.598 -0.317 3.004 735 2HB ARG 62 2HB ARG 62 -17.764 0.852 3.603 736 1HG ARG 62 1HG ARG 62 -18.982 -1.126 4.641 737 2HG ARG 62 2HG ARG 62 -17.524 -2.057 4.295 738 1HD ARG 62 1HD ARG 62 -17.587 0.493 5.904 739 2HD ARG 62 2HD ARG 62 -17.615 -1.123 6.602 740 HE ARG 62 HE ARG 62 -15.389 -1.463 5.677 741 1HH1 ARG 62 1HH1 ARG 62 -16.560 1.845 5.789 742 2HH1 ARG 62 2HH1 ARG 62 -14.967 2.534 5.892 743 1HH2 ARG 62 1HH2 ARG 62 -13.301 -0.530 5.811 744 2HH2 ARG 62 2HH2 ARG 62 -13.143 1.203 5.919 745 H LYS 63 H LYS 63 -19.487 -2.655 2.920 746 HA LYS 63 HA LYS 63 -17.952 -4.327 1.081 747 1HB LYS 63 1HB LYS 63 -19.797 -5.084 3.352 748 2HB LYS 63 2HB LYS 63 -18.859 -6.215 2.391 749 1HG LYS 63 1HG LYS 63 -16.796 -5.130 3.206 750 2HG LYS 63 2HG LYS 63 -17.786 -4.103 4.244 751 1HD LYS 63 1HD LYS 63 -18.683 -6.083 5.359 752 2HD LYS 63 2HD LYS 63 -17.707 -7.117 4.318 753 1HE LYS 63 1HE LYS 63 -15.680 -6.266 5.273 754 2HE LYS 63 2HE LYS 63 -16.568 -5.042 6.181 755 1HZ LYS 63 1HZ LYS 63 -17.636 -6.789 7.446 756 2HZ LYS 63 2HZ LYS 63 -15.948 -6.926 7.577 757 3HZ LYS 63 3HZ LYS 63 -16.809 -7.976 6.567 758 H ARG 64 H ARG 64 -21.015 -2.915 1.383 759 HA ARG 64 HA ARG 64 -22.583 -4.984 0.224 760 1HB ARG 64 1HB ARG 64 -23.126 -2.048 0.638 761 2HB ARG 64 2HB ARG 64 -24.313 -3.178 0.001 762 1HG ARG 64 1HG ARG 64 -24.166 -4.485 2.072 763 2HG ARG 64 2HG ARG 64 -23.008 -3.318 2.713 764 1HD ARG 64 1HD ARG 64 -25.313 -2.944 3.525 765 2HD ARG 64 2HD ARG 64 -24.658 -1.566 2.637 766 HE ARG 64 HE ARG 64 -26.188 -3.376 1.005 767 1HH1 ARG 64 1HH1 ARG 64 -26.413 -0.679 3.221 768 2HH1 ARG 64 2HH1 ARG 64 -27.862 -0.037 2.497 769 1HH2 ARG 64 1HH2 ARG 64 -28.093 -2.551 0.062 770 2HH2 ARG 64 2HH2 ARG 64 -28.795 -1.080 0.673 771 H CYS 65 H CYS 65 -20.959 -2.123 -1.058 772 HA CYS 65 HA CYS 65 -21.444 -3.235 -3.736 773 1HB CYS 65 1HB CYS 65 -21.488 -0.339 -2.895 774 2HB CYS 65 2HB CYS 65 -21.314 -0.840 -4.573 775 HG CYS 65 HG CYS 65 -23.868 -0.521 -4.832 776 HA PRO 66 HA PRO 66 -16.886 -3.123 -3.051 777 1HB PRO 66 1HB PRO 66 -17.035 -5.382 -4.942 778 2HB PRO 66 2HB PRO 66 -16.252 -5.293 -3.361 779 1HG PRO 66 1HG PRO 66 -18.495 -6.714 -3.739 780 2HG PRO 66 2HG PRO 66 -18.186 -5.843 -2.224 781 1HD PRO 66 1HD PRO 66 -19.949 -5.086 -4.525 782 2HD PRO 66 2HD PRO 66 -20.241 -4.923 -2.779 783 H PHE 67 H PHE 67 -18.755 -3.647 -6.002 784 HA PHE 67 HA PHE 67 -16.779 -2.787 -7.823 785 1HB PHE 67 1HB PHE 67 -18.789 -4.108 -8.454 786 2HB PHE 67 2HB PHE 67 -19.787 -2.691 -8.147 787 HD1 PHE 67 HD1 PHE 67 -16.956 -3.900 -10.217 788 HD2 PHE 67 HD2 PHE 67 -20.169 -1.137 -9.832 789 HE1 PHE 67 HE1 PHE 67 -16.581 -3.150 -12.529 790 HE2 PHE 67 HE2 PHE 67 -19.801 -0.384 -12.143 791 HZ PHE 67 HZ PHE 67 -18.007 -1.391 -13.494 792 H CYS 68 H CYS 68 -19.522 -1.103 -6.325 793 HA CYS 68 HA CYS 68 -19.058 1.398 -7.530 794 1HB CYS 68 1HB CYS 68 -20.360 0.850 -4.858 795 2HB CYS 68 2HB CYS 68 -20.579 2.281 -5.860 796 HG CYS 68 HG CYS 68 -21.828 0.852 -7.944 797 H ARG 69 H ARG 69 -17.863 -0.091 -4.575 798 HA ARG 69 HA ARG 69 -16.538 2.133 -3.488 799 1HB ARG 69 1HB ARG 69 -16.917 0.062 -2.233 800 2HB ARG 69 2HB ARG 69 -15.839 -0.808 -3.314 801 1HG ARG 69 1HG ARG 69 -13.966 0.566 -2.548 802 2HG ARG 69 2HG ARG 69 -15.053 1.427 -1.454 803 1HD ARG 69 1HD ARG 69 -15.517 -0.621 -0.252 804 2HD ARG 69 2HD ARG 69 -14.535 -1.543 -1.389 805 HE ARG 69 HE ARG 69 -13.095 0.576 -0.089 806 1HH1 ARG 69 1HH1 ARG 69 -14.161 -2.743 0.180 807 2HH1 ARG 69 2HH1 ARG 69 -12.885 -3.205 1.260 808 1HH2 ARG 69 1HH2 ARG 69 -11.410 -0.015 1.341 809 2HH2 ARG 69 2HH2 ARG 69 -11.321 -1.650 1.929 810 H PHE 70 H PHE 70 -15.425 -0.413 -5.686 811 HA PHE 70 HA PHE 70 -12.824 0.556 -6.106 812 1HB PHE 70 1HB PHE 70 -13.480 -1.692 -6.759 813 2HB PHE 70 2HB PHE 70 -14.647 -1.053 -7.909 814 HD1 PHE 70 HD1 PHE 70 -10.995 -0.954 -7.158 815 HD2 PHE 70 HD2 PHE 70 -14.054 -0.886 -10.117 816 HE1 PHE 70 HE1 PHE 70 -9.284 -1.027 -8.926 817 HE2 PHE 70 HE2 PHE 70 -12.352 -0.959 -11.887 818 HZ PHE 70 HZ PHE 70 -9.961 -1.030 -11.294 819 H GLN 71 H GLN 71 -15.853 1.141 -7.859 820 HA GLN 71 HA GLN 71 -14.874 2.817 -9.849 821 1HB GLN 71 1HB GLN 71 -17.551 2.665 -8.485 822 2HB GLN 71 2HB GLN 71 -17.234 3.845 -9.749 823 1HG GLN 71 1HG GLN 71 -16.967 0.862 -10.049 824 2HG GLN 71 2HG GLN 71 -18.338 1.828 -10.594 825 1HE2 GLN 71 1HE2 GLN 71 -16.647 4.058 -11.436 826 2HE2 GLN 71 2HE2 GLN 71 -15.871 3.552 -12.903 827 H LYS 72 H LYS 72 -15.791 3.590 -6.509 828 HA LYS 72 HA LYS 72 -15.349 6.386 -6.912 829 1HB LYS 72 1HB LYS 72 -16.879 5.691 -5.156 830 2HB LYS 72 2HB LYS 72 -15.571 4.861 -4.319 831 1HG LYS 72 1HG LYS 72 -14.693 6.768 -3.495 832 2HG LYS 72 2HG LYS 72 -15.101 7.705 -4.933 833 1HD LYS 72 1HD LYS 72 -17.037 6.847 -2.805 834 2HD LYS 72 2HD LYS 72 -16.330 8.450 -2.939 835 1HE LYS 72 1HE LYS 72 -17.341 8.567 -5.242 836 2HE LYS 72 2HE LYS 72 -18.218 7.089 -4.847 837 1HZ LYS 72 1HZ LYS 72 -18.407 9.687 -3.427 838 2HZ LYS 72 2HZ LYS 72 -19.190 8.264 -2.936 839 3HZ LYS 72 3HZ LYS 72 -19.596 8.989 -4.414 840 H CYS 73 H CYS 73 -13.326 3.697 -5.955 841 HA CYS 73 HA CYS 73 -11.133 5.118 -4.969 842 1HB CYS 73 1HB CYS 73 -11.114 2.635 -6.703 843 2HB CYS 73 2HB CYS 73 -9.756 3.222 -5.749 844 HG CYS 73 HG CYS 73 -12.736 2.319 -4.335 845 H LEU 74 H LEU 74 -11.982 4.270 -8.325 846 HA LEU 74 HA LEU 74 -9.917 5.875 -9.469 847 1HB LEU 74 1HB LEU 74 -12.448 4.700 -10.599 848 2HB LEU 74 2HB LEU 74 -11.340 5.646 -11.561 849 HG LEU 74 HG LEU 74 -9.550 3.961 -10.904 850 1HD1 LEU 74 1HD1 LEU 74 -11.999 2.440 -10.079 851 2HD1 LEU 74 2HD1 LEU 74 -10.635 2.902 -9.059 852 3HD1 LEU 74 3HD1 LEU 74 -10.412 1.719 -10.349 853 1HD2 LEU 74 1HD2 LEU 74 -10.563 4.076 -13.123 854 2HD2 LEU 74 2HD2 LEU 74 -11.863 3.015 -12.577 855 3HD2 LEU 74 3HD2 LEU 74 -10.204 2.416 -12.646 856 H THR 75 H THR 75 -13.235 6.413 -8.541 857 HA THR 75 HA THR 75 -13.792 8.883 -9.652 858 HB THR 75 HB THR 75 -14.615 7.525 -7.111 859 HG1 THR 75 HG1 THR 75 -15.535 6.825 -9.062 860 1HG2 THR 75 1HG2 THR 75 -15.809 10.159 -7.953 861 2HG2 THR 75 2HG2 THR 75 -14.576 10.017 -6.700 862 3HG2 THR 75 3HG2 THR 75 -16.139 9.223 -6.487 863 H VAL 76 H VAL 76 -12.134 8.195 -6.568 864 HA VAL 76 HA VAL 76 -11.737 10.999 -6.060 865 HB VAL 76 HB VAL 76 -10.462 10.259 -4.069 866 1HG1 VAL 76 1HG1 VAL 76 -13.149 8.945 -4.453 867 2HG1 VAL 76 2HG1 VAL 76 -12.865 10.613 -3.952 868 3HG1 VAL 76 3HG1 VAL 76 -12.382 9.282 -2.901 869 1HG2 VAL 76 1HG2 VAL 76 -10.445 7.882 -3.466 870 2HG2 VAL 76 2HG2 VAL 76 -9.523 8.182 -4.939 871 3HG2 VAL 76 3HG2 VAL 76 -11.137 7.481 -5.038 872 H GLY 77 H GLY 77 -9.793 8.353 -7.340 873 1HA GLY 77 1HA GLY 77 -8.352 9.273 -9.178 874 2HA GLY 77 2HA GLY 77 -7.746 10.388 -7.969 875 H MET 78 H MET 78 -8.354 6.955 -7.373 876 HA MET 78 HA MET 78 -5.593 6.600 -6.627 877 1HB MET 78 1HB MET 78 -7.874 4.618 -6.804 878 2HB MET 78 2HB MET 78 -6.268 4.234 -6.197 879 1HG MET 78 1HG MET 78 -6.555 5.914 -4.428 880 2HG MET 78 2HG MET 78 -8.184 6.234 -5.017 881 1HE MET 78 1HE MET 78 -6.322 2.763 -4.757 882 2HE MET 78 2HE MET 78 -6.844 2.226 -3.159 883 3HE MET 78 3HE MET 78 -5.796 3.636 -3.316 884 H ARG 79 H ARG 79 -4.006 6.010 -7.917 885 HA ARG 79 HA ARG 79 -4.461 5.879 -10.708 886 1HB ARG 79 1HB ARG 79 -1.957 5.383 -9.100 887 2HB ARG 79 2HB ARG 79 -2.006 5.525 -10.851 888 1HG ARG 79 1HG ARG 79 -2.745 7.664 -8.866 889 2HG ARG 79 2HG ARG 79 -1.289 7.607 -9.864 890 1HD ARG 79 1HD ARG 79 -2.720 7.667 -11.878 891 2HD ARG 79 2HD ARG 79 -4.132 7.837 -10.838 892 HE ARG 79 HE ARG 79 -2.344 9.872 -10.184 893 1HH1 ARG 79 1HH1 ARG 79 -4.294 8.835 -12.890 894 2HH1 ARG 79 2HH1 ARG 79 -4.528 10.441 -13.515 895 1HH2 ARG 79 1HH2 ARG 79 -2.622 12.008 -11.010 896 2HH2 ARG 79 2HH2 ARG 79 -3.578 12.248 -12.444 897 H LEU 80 H LEU 80 -4.835 4.246 -11.989 898 HA LEU 80 HA LEU 80 -5.009 1.552 -11.018 899 1HB LEU 80 1HB LEU 80 -5.341 2.759 -13.766 900 2HB LEU 80 2HB LEU 80 -5.532 1.049 -13.447 901 HG LEU 80 HG LEU 80 -7.694 2.068 -13.589 902 1HD1 LEU 80 1HD1 LEU 80 -6.942 1.374 -10.763 903 2HD1 LEU 80 2HD1 LEU 80 -7.543 0.285 -12.013 904 3HD1 LEU 80 3HD1 LEU 80 -8.599 1.531 -11.345 905 1HD2 LEU 80 1HD2 LEU 80 -7.063 4.369 -13.072 906 2HD2 LEU 80 2HD2 LEU 80 -6.817 3.925 -11.383 907 3HD2 LEU 80 3HD2 LEU 80 -8.429 3.838 -12.091 908 H GLU 81 H GLU 81 -2.960 3.309 -13.288 909 HA GLU 81 HA GLU 81 -1.422 0.993 -13.998 910 1HB GLU 81 1HB GLU 81 -0.029 2.644 -15.247 911 2HB GLU 81 2HB GLU 81 -1.738 2.701 -15.653 912 1HG GLU 81 1HG GLU 81 -0.728 4.539 -13.552 913 2HG GLU 81 2HG GLU 81 -0.329 4.885 -15.230 914 H ALA 82 H ALA 82 -1.473 2.632 -11.212 915 HA ALA 82 HA ALA 82 1.361 2.957 -10.783 916 1HB ALA 82 1HB ALA 82 0.750 3.575 -8.507 917 2HB ALA 82 2HB ALA 82 -0.915 3.076 -8.807 918 3HB ALA 82 3HB ALA 82 -0.235 4.449 -9.680 919 H VAL 83 H VAL 83 -1.067 0.518 -10.241 920 HA VAL 83 HA VAL 83 0.376 -0.956 -8.294 921 HB VAL 83 HB VAL 83 -1.246 -2.697 -8.632 922 1HG1 VAL 83 1HG1 VAL 83 -1.988 -0.856 -7.300 923 2HG1 VAL 83 2HG1 VAL 83 -3.334 -1.452 -8.271 924 3HG1 VAL 83 3HG1 VAL 83 -2.495 0.025 -8.741 925 1HG2 VAL 83 1HG2 VAL 83 -1.359 -2.709 -11.057 926 2HG2 VAL 83 2HG2 VAL 83 -2.196 -1.156 -11.032 927 3HG2 VAL 83 3HG2 VAL 83 -2.972 -2.588 -10.354 928 H ARG 84 H ARG 84 1.662 -2.732 -8.531 929 HA ARG 84 HA ARG 84 2.375 -3.447 -11.290 930 1HB ARG 84 1HB ARG 84 4.074 -3.548 -8.793 931 2HB ARG 84 2HB ARG 84 4.563 -4.194 -10.354 932 1HG ARG 84 1HG ARG 84 4.337 -1.935 -11.322 933 2HG ARG 84 2HG ARG 84 3.958 -1.315 -9.713 934 1HD ARG 84 1HD ARG 84 6.127 -2.002 -8.899 935 2HD ARG 84 2HD ARG 84 6.504 -2.748 -10.452 936 HE ARG 84 HE ARG 84 5.979 0.144 -10.273 937 1HH1 ARG 84 1HH1 ARG 84 8.090 -2.538 -11.066 938 2HH1 ARG 84 2HH1 ARG 84 9.286 -1.536 -11.839 939 1HH2 ARG 84 1HH2 ARG 84 7.550 1.465 -11.280 940 2HH2 ARG 84 2HH2 ARG 84 8.985 0.742 -11.956 941 H ALA 85 H ALA 85 0.738 -4.970 -11.461 942 HA ALA 85 HA ALA 85 0.291 -7.140 -9.759 943 1HB ALA 85 1HB ALA 85 0.012 -7.067 -12.761 944 2HB ALA 85 2HB ALA 85 -1.202 -6.528 -11.601 945 3HB ALA 85 3HB ALA 85 -0.745 -8.230 -11.674 946 H ASP 86 H ASP 86 2.959 -6.473 -11.779 947 HA ASP 86 HA ASP 86 3.944 -9.117 -12.133 948 1HB ASP 86 1HB ASP 86 5.487 -6.513 -12.068 949 2HB ASP 86 2HB ASP 86 6.056 -8.042 -12.731 950 H ARG 87 H ARG 87 3.452 -7.383 -9.413 951 HA ARG 87 HA ARG 87 3.930 -7.708 -7.241 952 1HB ARG 87 1HB ARG 87 3.917 -10.178 -8.147 953 2HB ARG 87 2HB ARG 87 5.643 -10.089 -7.835 954 1HG ARG 87 1HG ARG 87 3.616 -9.405 -5.732 955 2HG ARG 87 2HG ARG 87 4.157 -11.059 -6.011 956 1HD ARG 87 1HD ARG 87 6.040 -8.780 -5.458 957 2HD ARG 87 2HD ARG 87 5.351 -9.787 -4.184 958 HE ARG 87 HE ARG 87 6.397 -11.697 -5.567 959 1HH1 ARG 87 1HH1 ARG 87 7.758 -8.500 -5.221 960 2HH1 ARG 87 2HH1 ARG 87 9.399 -9.019 -5.421 961 1HH2 ARG 87 1HH2 ARG 87 8.549 -12.415 -5.808 962 2HH2 ARG 87 2HH2 ARG 87 9.858 -11.267 -5.743 963 H MET 88 H MET 88 5.108 -5.798 -7.246 964 HA MET 88 HA MET 88 7.924 -6.213 -6.577 965 1HB MET 88 1HB MET 88 7.942 -5.422 -8.901 966 2HB MET 88 2HB MET 88 6.928 -4.057 -8.457 967 1HG MET 88 1HG MET 88 9.180 -3.298 -8.669 968 2HG MET 88 2HG MET 88 8.734 -3.258 -6.964 969 1HE MET 88 1HE MET 88 10.868 -4.984 -9.738 970 2HE MET 88 2HE MET 88 9.785 -6.293 -9.263 971 3HE MET 88 3HE MET 88 11.507 -6.397 -8.899 972 H ARG 89 H ARG 89 8.290 -5.338 -4.642 973 HA ARG 89 HA ARG 89 6.205 -3.782 -3.396 974 1HB ARG 89 1HB ARG 89 8.791 -4.937 -2.364 975 2HB ARG 89 2HB ARG 89 7.728 -3.945 -1.374 976 1HG ARG 89 1HG ARG 89 5.913 -5.565 -1.740 977 2HG ARG 89 2HG ARG 89 7.027 -6.573 -2.667 978 1HD ARG 89 1HD ARG 89 8.390 -6.959 -0.752 979 2HD ARG 89 2HD ARG 89 7.524 -5.741 0.183 980 HE ARG 89 HE ARG 89 5.693 -7.691 -0.629 981 1HH1 ARG 89 1HH1 ARG 89 8.468 -7.396 1.492 982 2HH1 ARG 89 2HH1 ARG 89 7.881 -8.580 2.623 983 1HH2 ARG 89 1HH2 ARG 89 4.931 -9.246 0.852 984 2HH2 ARG 89 2HH2 ARG 89 5.878 -9.632 2.257 985 H GLY 90 H GLY 90 6.810 -2.126 -5.183 986 1HA GLY 90 1HA GLY 90 7.521 0.250 -4.154 987 2HA GLY 90 2HA GLY 90 9.085 -0.449 -4.560 988 H GLY 91 H GLY 91 9.793 0.440 -6.377 989 1HA GLY 91 1HA GLY 91 9.883 0.896 -8.636 990 2HA GLY 91 2HA GLY 91 8.331 0.090 -8.812 991 H ARG 92 H ARG 92 9.354 2.957 -6.990 992 HA ARG 92 HA ARG 92 6.960 4.339 -7.874 993 1HB ARG 92 1HB ARG 92 9.172 5.399 -6.112 994 2HB ARG 92 2HB ARG 92 7.542 6.037 -6.274 995 1HG ARG 92 1HG ARG 92 6.634 4.046 -5.227 996 2HG ARG 92 2HG ARG 92 8.253 3.351 -5.115 997 1HD ARG 92 1HD ARG 92 7.229 5.825 -3.733 998 2HD ARG 92 2HD ARG 92 7.656 4.287 -2.983 999 HE ARG 92 HE ARG 92 9.909 5.223 -4.336 1000 1HH1 ARG 92 1HH1 ARG 92 7.918 6.101 -1.599 1001 2HH1 ARG 92 2HH1 ARG 92 9.196 6.944 -0.777 1002 1HH2 ARG 92 1HH2 ARG 92 11.592 6.343 -3.277 1003 2HH2 ARG 92 2HH2 ARG 92 11.289 7.095 -1.737 1004 H ASN 93 H ASN 93 7.385 4.643 -10.083 1005 HA ASN 93 HA ASN 93 9.571 6.539 -10.664 1006 1HB ASN 93 1HB ASN 93 9.940 4.277 -11.617 1007 2HB ASN 93 2HB ASN 93 8.421 4.413 -12.491 1008 1HD2 ASN 93 1HD2 ASN 93 11.236 4.077 -13.357 1009 2HD2 ASN 93 2HD2 ASN 93 11.509 5.351 -14.503 1010 H LYS 94 H LYS 94 6.523 5.360 -12.086 1011 HA LYS 94 HA LYS 94 6.076 7.637 -13.672 1012 1HB LYS 94 1HB LYS 94 5.041 5.422 -14.055 1013 2HB LYS 94 2HB LYS 94 4.057 5.649 -12.618 1014 1HG LYS 94 1HG LYS 94 2.621 6.176 -14.359 1015 2HG LYS 94 2HG LYS 94 3.171 7.750 -13.789 1016 1HD LYS 94 1HD LYS 94 4.459 6.306 -16.095 1017 2HD LYS 94 2HD LYS 94 3.105 7.416 -16.302 1018 1HE LYS 94 1HE LYS 94 4.414 9.225 -15.347 1019 2HE LYS 94 2HE LYS 94 5.754 8.121 -15.044 1020 1HZ LYS 94 1HZ LYS 94 6.173 9.366 -17.033 1021 2HZ LYS 94 2HZ LYS 94 4.686 8.909 -17.702 1022 3HZ LYS 94 3HZ LYS 94 5.895 7.747 -17.457 1023 H PHE 95 H PHE 95 4.917 6.766 -10.449 1024 HA PHE 95 HA PHE 95 3.848 9.500 -10.182 1025 1HB PHE 95 1HB PHE 95 2.837 7.004 -8.800 1026 2HB PHE 95 2HB PHE 95 2.159 8.623 -8.657 1027 HD1 PHE 95 HD1 PHE 95 1.282 9.710 -10.819 1028 HD2 PHE 95 HD2 PHE 95 2.049 5.547 -10.406 1029 HE1 PHE 95 HE1 PHE 95 -0.190 9.254 -12.735 1030 HE2 PHE 95 HE2 PHE 95 0.580 5.082 -12.320 1031 HZ PHE 95 HZ PHE 95 -0.541 6.936 -13.490 1032 H GLY 96 H GLY 96 6.510 8.202 -9.541 1033 1HA GLY 96 1HA GLY 96 6.760 7.873 -6.748 1034 2HA GLY 96 2HA GLY 96 8.077 8.194 -7.863 1035 HA PRO 97 HA PRO 97 8.766 12.335 -6.641 1036 1HB PRO 97 1HB PRO 97 7.435 13.511 -9.027 1037 2HB PRO 97 2HB PRO 97 9.068 13.766 -8.406 1038 1HG PRO 97 1HG PRO 97 8.661 12.257 -10.555 1039 2HG PRO 97 2HG PRO 97 9.874 11.802 -9.343 1040 1HD PRO 97 1HD PRO 97 7.143 10.682 -9.806 1041 2HD PRO 97 2HD PRO 97 8.641 9.851 -9.344 1042 H MET 98 H MET 98 5.439 11.889 -7.788 1043 HA MET 98 HA MET 98 4.442 14.335 -6.787 1044 1HB MET 98 1HB MET 98 2.252 13.520 -7.221 1045 2HB MET 98 2HB MET 98 3.288 12.899 -8.495 1046 1HG MET 98 1HG MET 98 3.358 10.735 -7.418 1047 2HG MET 98 2HG MET 98 2.385 11.346 -6.083 1048 1HE MET 98 1HE MET 98 -1.041 12.066 -7.834 1049 2HE MET 98 2HE MET 98 0.289 13.200 -7.592 1050 3HE MET 98 3HE MET 98 -0.155 12.072 -6.310 1051 H TYR 99 H TYR 99 5.015 11.254 -5.271 1052 HA TYR 99 HA TYR 99 3.388 11.534 -3.004 1053 1HB TYR 99 1HB TYR 99 5.979 10.080 -3.480 1054 2HB TYR 99 2HB TYR 99 5.145 10.017 -1.932 1055 HD1 TYR 99 HD1 TYR 99 5.528 8.439 -5.039 1056 HD2 TYR 99 HD2 TYR 99 2.575 9.367 -2.122 1057 HE1 TYR 99 HE1 TYR 99 4.117 6.616 -5.893 1058 HE2 TYR 99 HE2 TYR 99 1.157 7.551 -2.969 1059 HH TYR 99 HH TYR 99 2.308 5.190 -5.152 1060 H LYS 100 H LYS 100 6.841 12.280 -3.393 1061 HA LYS 100 HA LYS 100 7.030 13.551 -0.853 1062 1HB LYS 100 1HB LYS 100 8.852 13.484 -3.243 1063 2HB LYS 100 2HB LYS 100 9.255 14.350 -1.768 1064 1HG LYS 100 1HG LYS 100 8.966 12.181 -0.535 1065 2HG LYS 100 2HG LYS 100 8.830 11.396 -2.107 1066 1HD LYS 100 1HD LYS 100 11.033 12.095 -2.716 1067 2HD LYS 100 2HD LYS 100 11.183 13.060 -1.246 1068 1HE LYS 100 1HE LYS 100 10.928 10.962 0.071 1069 2HE LYS 100 2HE LYS 100 10.962 10.060 -1.443 1070 1HZ LYS 100 1HZ LYS 100 13.141 11.782 -0.382 1071 2HZ LYS 100 2HZ LYS 100 13.178 10.961 -1.866 1072 3HZ LYS 100 3HZ LYS 100 13.128 10.087 -0.420 1073 H ARG 101 H ARG 101 6.091 14.560 -4.004 1074 HA ARG 101 HA ARG 101 6.364 17.339 -3.731 1075 1HB ARG 101 1HB ARG 101 5.751 16.295 -5.858 1076 2HB ARG 101 2HB ARG 101 4.234 15.735 -5.167 1077 1HG ARG 101 1HG ARG 101 3.794 18.252 -4.736 1078 2HG ARG 101 2HG ARG 101 5.048 18.496 -5.954 1079 1HD ARG 101 1HD ARG 101 2.894 18.507 -7.027 1080 2HD ARG 101 2HD ARG 101 3.768 17.049 -7.499 1081 HE ARG 101 HE ARG 101 2.228 16.361 -5.298 1082 1HH1 ARG 101 1HH1 ARG 101 1.658 17.537 -8.551 1083 2HH1 ARG 101 2HH1 ARG 101 0.110 16.763 -8.688 1084 1HH2 ARG 101 1HH2 ARG 101 0.214 15.358 -5.460 1085 2HH2 ARG 101 2HH2 ARG 101 -0.713 15.510 -6.938 1086 H ASP 102 H ASP 102 3.550 15.240 -3.101 1087 HA ASP 102 HA ASP 102 1.943 17.161 -1.860 1088 1HB ASP 102 1HB ASP 102 2.029 14.167 -1.764 1089 2HB ASP 102 2HB ASP 102 0.952 15.043 -0.682 1090 H ARG 103 H ARG 103 4.454 15.067 -0.549 1091 HA ARG 103 HA ARG 103 4.166 15.571 2.168 1092 1HB ARG 103 1HB ARG 103 6.641 15.197 0.486 1093 2HB ARG 103 2HB ARG 103 6.713 15.369 2.232 1094 1HG ARG 103 1HG ARG 103 5.053 13.251 0.908 1095 2HG ARG 103 2HG ARG 103 6.761 13.017 1.279 1096 1HD ARG 103 1HD ARG 103 5.530 12.096 3.087 1097 2HD ARG 103 2HD ARG 103 6.222 13.611 3.659 1098 HE ARG 103 HE ARG 103 3.528 13.823 2.645 1099 1HH1 ARG 103 1HH1 ARG 103 5.558 13.331 5.464 1100 2HH1 ARG 103 2HH1 ARG 103 4.274 13.670 6.589 1101 1HH2 ARG 103 1HH2 ARG 103 1.858 14.279 4.123 1102 2HH2 ARG 103 2HH2 ARG 103 2.181 14.220 5.830 1103 H ALA 104 H ALA 104 5.984 17.456 -0.240 1104 HA ALA 104 HA ALA 104 6.789 19.452 1.638 1105 1HB ALA 104 1HB ALA 104 7.683 20.633 -0.290 1106 2HB ALA 104 2HB ALA 104 6.813 19.546 -1.375 1107 3HB ALA 104 3HB ALA 104 8.109 18.923 -0.353 1108 H LEU 105 H LEU 105 4.034 19.054 -0.443 1109 HA LEU 105 HA LEU 105 3.234 21.802 -0.382 1110 1HB LEU 105 1HB LEU 105 1.686 19.316 -1.095 1111 2HB LEU 105 2HB LEU 105 1.103 20.952 -1.321 1112 HG LEU 105 HG LEU 105 3.517 19.760 -2.687 1113 1HD1 LEU 105 1HD1 LEU 105 2.134 19.816 -4.696 1114 2HD1 LEU 105 2HD1 LEU 105 0.765 20.387 -3.742 1115 3HD1 LEU 105 3HD1 LEU 105 1.426 18.777 -3.459 1116 1HD2 LEU 105 1HD2 LEU 105 3.740 22.161 -2.342 1117 2HD2 LEU 105 2HD2 LEU 105 2.147 22.423 -3.051 1118 3HD2 LEU 105 3HD2 LEU 105 3.462 21.798 -4.045 1119 H LYS 106 H LYS 106 2.233 18.867 1.322 1120 HA LYS 106 HA LYS 106 0.155 20.239 2.750 1121 1HB LYS 106 1HB LYS 106 1.270 17.458 3.069 1122 2HB LYS 106 2HB LYS 106 -0.163 18.071 3.888 1123 1HG LYS 106 1HG LYS 106 -1.262 18.423 1.754 1124 2HG LYS 106 2HG LYS 106 0.183 17.871 0.904 1125 1HD LYS 106 1HD LYS 106 -0.049 15.677 1.976 1126 2HD LYS 106 2HD LYS 106 -1.517 16.240 2.779 1127 1HE LYS 106 1HE LYS 106 -1.110 16.094 -0.206 1128 2HE LYS 106 2HE LYS 106 -1.994 14.912 0.757 1129 1HZ LYS 106 1HZ LYS 106 -3.528 16.689 1.413 1130 2HZ LYS 106 2HZ LYS 106 -3.518 16.437 -0.264 1131 3HZ LYS 106 3HZ LYS 106 -2.707 17.776 0.397 1132 H GLN 107 H GLN 107 3.505 19.794 3.269 1133 HA GLN 107 HA GLN 107 3.337 20.156 6.133 1134 1HB GLN 107 1HB GLN 107 5.738 20.227 6.131 1135 2HB GLN 107 2HB GLN 107 5.232 18.926 5.064 1136 1HG GLN 107 1HG GLN 107 5.653 20.324 3.126 1137 2HG GLN 107 2HG GLN 107 6.100 21.668 4.176 1138 1HE2 GLN 107 1HE2 GLN 107 6.963 18.349 4.827 1139 2HE2 GLN 107 2HE2 GLN 107 8.662 18.535 4.559 1140 H GLN 108 H GLN 108 3.386 22.103 3.321 1141 HA GLN 108 HA GLN 108 4.388 24.503 4.475 1142 1HB GLN 108 1HB GLN 108 4.336 24.040 2.028 1143 2HB GLN 108 2HB GLN 108 2.582 24.155 2.072 1144 1HG GLN 108 1HG GLN 108 2.753 26.480 2.794 1145 2HG GLN 108 2HG GLN 108 4.512 26.363 2.742 1146 1HE2 GLN 108 1HE2 GLN 108 5.556 26.268 0.751 1147 2HE2 GLN 108 2HE2 GLN 108 4.755 26.706 -0.725 1148 H LYS 109 H LYS 109 3.426 25.601 6.018 1149 HA LYS 109 HA LYS 109 1.891 26.478 7.426 1150 1HB LYS 109 1HB LYS 109 0.944 27.455 5.366 1151 2HB LYS 109 2HB LYS 109 -0.070 26.034 5.164 1152 1HG LYS 109 1HG LYS 109 -1.221 26.552 7.257 1153 2HG LYS 109 2HG LYS 109 -0.197 27.973 7.469 1154 1HD LYS 109 1HD LYS 109 -1.984 27.544 5.080 1155 2HD LYS 109 2HD LYS 109 -2.479 28.429 6.523 1156 1HE LYS 109 1HE LYS 109 -0.122 29.120 4.771 1157 2HE LYS 109 2HE LYS 109 -1.694 29.916 4.722 1158 1HZ LYS 109 1HZ LYS 109 -0.150 31.200 6.031 1159 2HZ LYS 109 2HZ LYS 109 0.179 29.871 7.031 1160 3HZ LYS 109 3HZ LYS 109 -1.361 30.577 7.046 1161 H LYS 110 H LYS 110 1.971 23.373 6.517 1162 HA LYS 110 HA LYS 110 1.150 21.395 7.257 1163 1HB LYS 110 1HB LYS 110 0.295 23.024 9.659 1164 2HB LYS 110 2HB LYS 110 0.416 21.272 9.596 1165 1HG LYS 110 1HG LYS 110 2.845 21.504 9.155 1166 2HG LYS 110 2HG LYS 110 2.677 23.248 9.367 1167 1HD LYS 110 1HD LYS 110 1.789 22.823 11.651 1168 2HD LYS 110 2HD LYS 110 2.133 21.108 11.423 1169 1HE LYS 110 1HE LYS 110 4.126 23.371 11.425 1170 2HE LYS 110 2HE LYS 110 3.930 22.137 12.668 1171 1HZ LYS 110 1HZ LYS 110 5.785 21.573 11.288 1172 2HZ LYS 110 2HZ LYS 110 4.858 21.720 9.880 1173 3HZ LYS 110 3HZ LYS 110 4.539 20.463 10.975 1174 H ALA 111 H ALA 111 -0.515 22.984 5.573 1175 HA ALA 111 HA ALA 111 -3.051 21.700 6.104 1176 1HB ALA 111 1HB ALA 111 -3.281 23.811 7.328 1177 2HB ALA 111 2HB ALA 111 -4.372 23.747 5.943 1178 3HB ALA 111 3HB ALA 111 -2.894 24.705 5.857 Start of MODEL 8 1 1H5* G 1 1H5* G 1 29.447 5.083 0.393 2 2H5* G 1 2H5* G 1 28.531 3.642 0.863 3 H4* G 1 H4* G 1 28.584 5.870 2.302 4 H3* G 1 H3* G 1 27.120 3.568 2.499 5 H1* G 1 H1* G 1 25.556 7.086 2.477 6 H8 G 1 H8 G 1 25.267 5.538 -1.061 7 H1 G 1 H1 G 1 20.920 10.029 0.400 8 1H2 G 1 1H2 G 1 21.182 10.685 2.489 9 2H2 G 1 2H2 G 1 22.426 10.026 3.528 10 H5T G 1 H5T G 1 26.910 5.292 -0.465 11 1H2* G 1 1H2* G 1 25.180 4.285 1.307 12 2H2* G 1 2H2* G 1 24.761 4.855 2.916 13 1H5* G 2 1H5* G 2 25.820 7.218 5.294 14 2H5* G 2 2H5* G 2 26.011 6.458 6.888 15 H4* G 2 H4* G 2 24.318 8.083 7.096 16 H3* G 2 H3* G 2 23.766 5.552 7.863 17 H1* G 2 H1* G 2 21.251 7.556 5.708 18 H8 G 2 H8 G 2 23.070 4.785 3.698 19 H1 G 2 H1 G 2 18.434 7.964 0.594 20 1H2 G 2 1H2 G 2 17.625 9.562 1.889 21 2H2 G 2 2H2 G 2 18.224 9.843 3.508 22 1H2* G 2 1H2* G 2 22.595 4.824 5.908 23 2H2* G 2 2H2* G 2 21.254 5.455 6.854 24 1H5* C 3 1H5* C 3 20.367 8.696 6.857 25 2H5* C 3 2H5* C 3 19.983 8.979 8.566 26 H4* C 3 H4* C 3 18.047 9.604 7.509 27 H3* C 3 H3* C 3 17.754 7.454 9.130 28 H1* C 3 H1* C 3 16.167 7.555 5.610 29 1H4 C 3 1H4 C 3 18.024 3.578 1.055 30 2H4 C 3 2H4 C 3 19.325 2.940 2.039 31 H5 C 3 H5 C 3 19.789 3.742 4.282 32 H6 C 3 H6 C 3 19.123 5.331 6.009 33 1H2* C 3 1H2* C 3 17.782 5.741 7.462 34 2H2* C 3 2H2* C 3 16.060 6.094 7.513 35 1H5* T 4 1H5* T 4 14.497 9.808 7.416 36 2H5* T 4 2H5* T 4 13.132 10.230 8.471 37 H4* T 4 H4* T 4 12.417 10.431 6.220 38 H3* T 4 H3* T 4 11.005 8.844 7.971 39 1H2* T 4 1H2* T 4 11.587 6.721 7.074 40 2H2* T 4 2H2* T 4 10.251 7.109 6.000 41 H1* T 4 H1* T 4 11.698 7.957 4.281 42 H3 T 4 H3 T 4 13.399 4.326 2.353 43 1H5M T 4 1H5M T 4 15.903 4.507 6.940 44 2H5M T 4 2H5M T 4 14.500 3.492 7.350 45 3H5M T 4 3H5M T 4 15.640 2.967 6.089 46 H6 T 4 H6 T 4 13.735 6.099 6.767 47 1H5* C 5 1H5* C 5 10.029 9.828 3.736 48 2H5* C 5 2H5* C 5 8.457 10.651 3.734 49 H4* C 5 H4* C 5 8.916 9.945 1.525 50 H3* C 5 H3* C 5 6.548 9.280 2.653 51 H1* C 5 H1* C 5 8.655 6.600 0.722 52 1H4 C 5 1H4 C 5 10.919 1.692 4.015 53 2H4 C 5 2H4 C 5 10.758 2.544 5.536 54 H5 C 5 H5 C 5 9.876 4.797 5.691 55 H6 C 5 H6 C 5 8.976 6.677 4.426 56 1H2* C 5 1H2* C 5 6.990 7.014 3.233 57 2H2* C 5 2H2* C 5 6.454 6.775 1.576 58 1H5* A 6 1H5* A 6 6.927 7.444 -1.077 59 2H5* A 6 2H5* A 6 5.858 7.880 -2.425 60 H4* A 6 H4* A 6 5.823 5.679 -2.768 61 H3* A 6 H3* A 6 3.548 6.332 -1.251 62 H1* A 6 H1* A 6 5.729 3.200 -1.132 63 H8 A 6 H8 A 6 5.842 5.104 2.264 64 1H6 A 6 1H6 A 6 8.606 -0.008 4.408 65 2H6 A 6 2H6 A 6 7.998 1.578 4.826 66 H2 A 6 H2 A 6 7.824 -0.577 0.024 67 1H2* A 6 1H2* A 6 4.082 5.055 0.665 68 2H2* A 6 2H2* A 6 3.509 3.731 -0.339 69 1H5* G 7 1H5* G 7 5.454 2.259 -1.937 70 2H5* G 7 2H5* G 7 4.845 2.823 -3.507 71 H4* G 7 H4* G 7 5.369 0.746 -4.150 72 H3* G 7 H3* G 7 2.721 0.824 -3.930 73 H1* G 7 H1* G 7 4.585 -1.996 -1.790 74 H8 G 7 H8 G 7 3.217 1.150 -0.027 75 H1 G 7 H1 G 7 6.375 -3.008 3.713 76 1H2 G 7 1H2 G 7 7.212 -4.630 2.482 77 2H2 G 7 2H2 G 7 6.990 -4.696 0.750 78 1H2* G 7 1H2* G 7 2.394 0.065 -1.703 79 2H2* G 7 2H2* G 7 2.428 -1.500 -2.504 80 1H5* G 8 1H5* G 8 4.764 -2.809 -4.942 81 2H5* G 8 2H5* G 8 4.469 -3.461 -6.568 82 H4* G 8 H4* G 8 5.227 -5.321 -5.507 83 H3* G 8 H3* G 8 2.605 -5.525 -6.119 84 H1* G 8 H1* G 8 3.830 -6.433 -2.479 85 H8 G 8 H8 G 8 1.716 -3.235 -2.892 86 H1 G 8 H1 G 8 3.608 -4.550 3.100 87 1H2 G 8 1H2 G 8 4.957 -6.291 3.106 88 2H2 G 8 2H2 G 8 5.399 -7.135 1.640 89 1H2* G 8 1H2* G 8 1.622 -5.036 -4.019 90 2H2* G 8 2H2* G 8 1.899 -6.755 -3.777 91 1H5* G 9 1H5* G 9 4.479 -7.723 -3.148 92 2H5* G 9 2H5* G 9 4.999 -9.244 -3.900 93 H4* G 9 H4* G 9 5.268 -9.845 -1.755 94 H3* G 9 H3* G 9 3.034 -11.049 -2.715 95 H1* G 9 H1* G 9 3.203 -9.483 0.739 96 H8 G 9 H8 G 9 1.128 -7.170 -1.589 97 H1 G 9 H1 G 9 0.910 -5.843 4.688 98 1H2 G 9 1H2 G 9 2.224 -7.244 5.791 99 2H2 G 9 2H2 G 9 3.137 -8.497 4.980 100 1H2* G 9 1H2* G 9 1.442 -9.502 -1.771 101 2H2* G 9 2H2* G 9 1.521 -10.729 -0.515 102 1H5* C 10 1H5* C 10 4.803 -11.739 1.275 103 2H5* C 10 2H5* C 10 5.343 -13.431 1.319 104 H4* C 10 H4* C 10 5.423 -12.805 3.531 105 H3* C 10 H3* C 10 3.717 -14.802 3.042 106 H1* C 10 H1* C 10 2.399 -11.713 5.106 107 1H4 C 10 1H4 C 10 -1.912 -8.056 2.268 108 2H4 C 10 2H4 C 10 -1.531 -8.709 0.690 109 H5 C 10 H5 C 10 0.157 -10.407 0.342 110 H6 C 10 H6 C 10 1.822 -11.813 1.434 111 1H2* C 10 1H2* C 10 1.676 -13.585 2.833 112 2H2* C 10 2H2* C 10 1.658 -13.883 4.567 113 1H5* C 11 1H5* C 11 2.478 -12.766 7.066 114 2H5* C 11 2H5* C 11 3.028 -14.045 8.166 115 H4* C 11 H4* C 11 1.210 -13.479 9.317 116 H3* C 11 H3* C 11 0.545 -15.675 7.697 117 H1* C 11 H1* C 11 -1.729 -12.549 8.452 118 1H4 C 11 1H4 C 11 -3.838 -9.535 3.286 119 2H4 C 11 2H4 C 11 -2.968 -10.624 2.226 120 H5 C 11 H5 C 11 -1.571 -12.420 3.045 121 H6 C 11 H6 C 11 -0.685 -13.504 5.034 122 1H2* C 11 1H2* C 11 -1.190 -14.759 6.442 123 2H2* C 11 2H2* C 11 -2.105 -14.808 7.943 124 1H5* A 12 1H5* A 12 -1.172 -12.552 10.244 125 2H5* A 12 2H5* A 12 -1.247 -13.575 11.693 126 H4* A 12 H4* A 12 -2.396 -11.555 12.164 127 H3* A 12 H3* A 12 -3.609 -13.850 12.730 128 H1* A 12 H1* A 12 -5.590 -11.273 10.544 129 H8 A 12 H8 A 12 -3.643 -13.899 8.435 130 1H6 A 12 1H6 A 12 -7.276 -12.011 3.779 131 2H6 A 12 2H6 A 12 -5.969 -13.084 4.234 132 H2 A 12 H2 A 12 -8.389 -9.693 7.453 133 1H2* A 12 1H2* A 12 -4.766 -14.197 10.657 134 2H2* A 12 2H2* A 12 -6.009 -13.366 11.584 135 1H5* C 13 1H5* C 13 -6.428 -9.648 12.621 136 2H5* C 13 2H5* C 13 -7.139 -9.939 14.222 137 H4* C 13 H4* C 13 -8.672 -8.722 12.816 138 H3* C 13 H3* C 13 -9.469 -10.842 14.306 139 H1* C 13 H1* C 13 -10.575 -10.408 10.637 140 1H4 C 13 1H4 C 13 -8.801 -14.506 6.149 141 2H4 C 13 2H4 C 13 -7.671 -15.301 7.222 142 H5 C 13 H5 C 13 -7.330 -14.611 9.521 143 H6 C 13 H6 C 13 -7.978 -13.003 11.236 144 1H2* C 13 1H2* C 13 -9.480 -12.501 12.579 145 2H2* C 13 2H2* C 13 -11.127 -11.900 12.445 146 1H5* A 14 1H5* A 14 -12.496 -8.381 12.095 147 2H5* A 14 2H5* A 14 -13.681 -7.673 13.211 148 H4* A 14 H4* A 14 -14.858 -7.743 11.253 149 H3* A 14 H3* A 14 -15.843 -9.412 13.162 150 H1* A 14 H1* A 14 -15.468 -10.532 9.456 151 H8 A 14 H8 A 14 -12.921 -12.198 11.863 152 1H6 A 14 1H6 A 14 -11.425 -15.741 7.015 153 2H6 A 14 2H6 A 14 -11.134 -15.426 8.711 154 H2 A 14 H2 A 14 -14.514 -12.774 5.669 155 1H2* A 14 1H2* A 14 -15.035 -11.484 12.320 156 2H2* A 14 2H2* A 14 -16.536 -11.380 11.414 157 1H5* G 15 1H5* G 15 -17.833 -8.525 9.494 158 2H5* G 15 2H5* G 15 -19.466 -7.830 9.474 159 H4* G 15 H4* G 15 -19.331 -8.831 7.416 160 H3* G 15 H3* G 15 -21.181 -9.947 9.070 161 H1* G 15 H1* G 15 -18.869 -12.041 6.844 162 H8 G 15 H8 G 15 -17.706 -12.217 10.548 163 H1 G 15 H1 G 15 -15.107 -16.503 6.534 164 1H2 G 15 1H2 G 15 -15.875 -16.181 4.490 165 2H2 G 15 2H2 G 15 -17.033 -14.923 4.117 166 H3T G 15 H3T G 15 -21.554 -9.435 6.925 167 1H2* G 15 1H2* G 15 -19.932 -11.880 9.711 168 2H2* G 15 2H2* G 15 -20.757 -12.499 8.288 169 1H5* C 16 1H5* C 16 -15.008 -23.580 2.957 170 2H5* C 16 2H5* C 16 -13.262 -23.625 2.653 171 H4* C 16 H4* C 16 -14.937 -22.003 1.365 172 H3* C 16 H3* C 16 -12.299 -22.237 1.184 173 H1* C 16 H1* C 16 -13.705 -18.855 2.475 174 1H4 C 16 1H4 C 16 -13.423 -17.367 8.625 175 2H4 C 16 2H4 C 16 -12.259 -18.642 8.918 176 H5 C 16 H5 C 16 -11.597 -20.236 7.219 177 H6 C 16 H6 C 16 -11.882 -20.899 4.890 178 H5T C 16 H5T C 16 -12.882 -22.665 4.514 179 1H2* C 16 1H2* C 16 -11.701 -21.037 3.187 180 2H2* C 16 2H2* C 16 -11.558 -19.777 1.968 181 1H5* T 17 1H5* T 17 -14.378 -19.065 -1.300 182 2H5* T 17 2H5* T 17 -13.640 -18.220 -2.676 183 H4* T 17 H4* T 17 -14.970 -16.739 -1.258 184 H3* T 17 H3* T 17 -12.378 -16.158 -2.187 185 1H2* T 17 1H2* T 17 -11.325 -15.929 -0.089 186 2H2* T 17 2H2* T 17 -12.139 -14.372 -0.093 187 H1* T 17 H1* T 17 -14.030 -15.201 1.148 188 H3 T 17 H3 T 17 -12.480 -15.276 5.330 189 1H5M T 17 1H5M T 17 -10.046 -19.215 4.267 190 2H5M T 17 2H5M T 17 -8.859 -18.019 3.698 191 3H5M T 17 3H5M T 17 -9.759 -19.007 2.524 192 H6 T 17 H6 T 17 -11.304 -17.705 1.397 193 1H5* G 18 1H5* G 18 -15.413 -13.082 -1.405 194 2H5* G 18 2H5* G 18 -15.689 -11.786 -2.587 195 H4* G 18 H4* G 18 -16.126 -10.767 -0.565 196 H3* G 18 H3* G 18 -13.993 -9.753 -1.938 197 H1* G 18 H1* G 18 -14.015 -10.271 1.858 198 H8 G 18 H8 G 18 -12.008 -13.144 0.188 199 H1 G 18 H1 G 18 -10.773 -12.064 6.397 200 1H2 G 18 1H2 G 18 -11.966 -10.359 7.118 201 2H2 G 18 2H2 G 18 -13.073 -9.490 6.079 202 1H2* G 18 1H2* G 18 -12.256 -10.713 -0.610 203 2H2* G 18 2H2* G 18 -12.521 -9.217 0.275 204 1H5* T 19 1H5* T 19 -14.371 -8.963 2.762 205 2H5* T 19 2H5* T 19 -15.448 -7.679 2.176 206 H4* T 19 H4* T 19 -14.978 -6.851 4.226 207 H3* T 19 H3* T 19 -13.828 -5.314 2.401 208 1H2* T 19 1H2* T 19 -11.674 -6.322 2.226 209 2H2* T 19 2H2* T 19 -11.339 -5.187 3.529 210 H1* T 19 H1* T 19 -11.392 -6.822 5.183 211 H3 T 19 H3 T 19 -8.635 -10.303 4.781 212 1H5M T 19 1H5M T 19 -9.090 -10.050 0.116 213 2H5M T 19 2H5M T 19 -10.597 -10.961 0.376 214 3H5M T 19 3H5M T 19 -10.665 -9.247 -0.096 215 H6 T 19 H6 T 19 -11.586 -8.124 1.744 216 1H5* G 20 1H5* G 20 -12.627 -5.117 6.360 217 2H5* G 20 2H5* G 20 -12.882 -3.692 7.386 218 H4* G 20 H4* G 20 -11.113 -4.617 8.444 219 H3* G 20 H3* G 20 -10.326 -2.403 6.889 220 H1* G 20 H1* G 20 -8.432 -5.614 7.708 221 H8 G 20 H8 G 20 -9.325 -5.554 3.926 222 H1 G 20 H1 G 20 -4.567 -9.507 5.653 223 1H2 G 20 1H2 G 20 -4.190 -9.333 7.820 224 2H2 G 20 2H2 G 20 -5.104 -8.242 8.840 225 1H2* G 20 1H2* G 20 -8.820 -3.552 5.474 226 2H2* G 20 2H2* G 20 -7.768 -3.440 6.879 227 1H5* G 21 1H5* G 21 -7.426 -5.429 9.484 228 2H5* G 21 2H5* G 21 -7.784 -4.197 10.713 229 H4* G 21 H4* G 21 -5.872 -5.061 11.571 230 H3* G 21 H3* G 21 -5.463 -2.562 10.678 231 H1* G 21 H1* G 21 -2.962 -5.372 9.677 232 H8 G 21 H8 G 21 -5.234 -4.174 6.797 233 H1 G 21 H1 G 21 -0.994 -8.754 5.298 234 1H2 G 21 1H2 G 21 0.060 -9.432 7.109 235 2H2 G 21 2H2 G 21 -0.272 -8.760 8.692 236 1H2* G 21 1H2* G 21 -4.583 -3.070 8.515 237 2H2* G 21 2H2* G 21 -3.092 -3.003 9.445 238 1H5* C 22 1H5* C 22 -2.452 -6.288 11.025 239 2H5* C 22 2H5* C 22 -2.162 -5.568 12.623 240 H4* C 22 H4* C 22 -0.415 -7.095 12.273 241 H3* C 22 H3* C 22 0.296 -4.611 12.881 242 H1* C 22 H1* C 22 1.818 -6.080 9.491 243 1H4 C 22 1H4 C 22 -0.954 -3.967 4.215 244 2H4 C 22 2H4 C 22 -1.781 -2.706 5.096 245 H5 C 22 H5 C 22 -1.697 -2.517 7.510 246 H6 C 22 H6 C 22 -0.756 -3.466 9.549 247 1H2* C 22 1H2* C 22 0.551 -3.645 10.725 248 2H2* C 22 2H2* C 22 2.178 -4.279 10.922 249 1H5* C 23 1H5* C 23 2.547 -6.999 10.457 250 2H5* C 23 2H5* C 23 3.664 -7.919 11.484 251 H4* C 23 H4* C 23 4.640 -8.405 9.542 252 H3* C 23 H3* C 23 6.045 -6.300 10.690 253 H1* C 23 H1* C 23 5.227 -6.714 6.924 254 1H4 C 23 1H4 C 23 2.117 -2.079 3.927 255 2H4 C 23 2H4 C 23 1.609 -1.348 5.432 256 H5 C 23 H5 C 23 2.219 -2.244 7.599 257 H6 C 23 H6 C 23 3.422 -4.024 8.755 258 1H2* C 23 1H2* C 23 5.533 -4.613 9.120 259 2H2* C 23 2H2* C 23 6.789 -5.420 8.190 260 1H5* C 24 1H5* C 24 8.714 -9.730 8.597 261 2H5* C 24 2H5* C 24 10.464 -9.518 8.810 262 H4* C 24 H4* C 24 9.632 -10.023 6.476 263 H3* C 24 H3* C 24 11.863 -8.660 7.169 264 H1* C 24 H1* C 24 9.403 -7.292 4.560 265 1H4 C 24 1H4 C 24 6.104 -1.970 5.469 266 2H4 C 24 2H4 C 24 6.536 -1.910 7.164 267 H5 C 24 H5 C 24 7.921 -3.580 8.232 268 H6 C 24 H6 C 24 9.165 -5.652 7.899 269 1H2* C 24 1H2* C 24 10.946 -6.443 7.061 270 2H2* C 24 2H2* C 24 11.556 -6.625 5.423 271 1H5* T 25 1H5* T 25 10.154 -8.325 2.599 272 2H5* T 25 2H5* T 25 11.515 -9.299 2.007 273 H4* T 25 H4* T 25 10.918 -8.113 0.144 274 H3* T 25 H3* T 25 13.393 -7.503 1.031 275 1H2* T 25 1H2* T 25 12.884 -5.480 2.200 276 2H2* T 25 2H2* T 25 13.222 -4.832 0.601 277 H1* T 25 H1* T 25 10.909 -4.694 0.011 278 H3 T 25 H3 T 25 8.758 -1.550 2.337 279 1H5M T 25 1H5M T 25 10.435 -2.983 6.356 280 2H5M T 25 2H5M T 25 11.097 -4.598 6.001 281 3H5M T 25 3H5M T 25 12.117 -3.153 5.797 282 H6 T 25 H6 T 25 11.702 -5.087 3.592 283 1H5* G 26 1H5* G 26 11.781 -5.959 -2.847 284 2H5* G 26 2H5* G 26 12.893 -6.077 -4.228 285 H4* G 26 H4* G 26 11.425 -4.334 -4.741 286 H3* G 26 H3* G 26 14.112 -3.735 -4.579 287 H1* G 26 H1* G 26 11.264 -1.460 -3.329 288 H8 G 26 H8 G 26 12.896 -3.278 -0.320 289 H1 G 26 H1 G 26 10.032 2.319 0.985 290 1H2 G 26 1H2 G 26 9.278 3.232 -0.874 291 2H2 G 26 2H2 G 26 9.475 2.467 -2.434 292 1H2* G 26 1H2* G 26 14.068 -2.431 -2.597 293 2H2* G 26 2H2* G 26 13.611 -1.180 -3.744 294 1H5* A 27 1H5* A 27 11.197 -0.349 -4.638 295 2H5* A 27 2H5* A 27 11.062 -0.637 -6.383 296 H4* A 27 H4* A 27 10.103 1.374 -6.378 297 H3* A 27 H3* A 27 12.543 1.744 -7.355 298 H1* A 27 H1* A 27 11.636 3.912 -4.077 299 H8 A 27 H8 A 27 13.605 0.574 -3.787 300 1H6 A 27 1H6 A 27 14.439 2.214 2.125 301 2H6 A 27 2H6 A 27 14.796 1.014 0.902 302 H2 A 27 H2 A 27 11.904 5.348 0.155 303 1H2* A 27 1H2* A 27 13.788 2.331 -5.427 304 2H2* A 27 2H2* A 27 13.173 3.933 -5.804 305 1H5* G 28 1H5* G 28 10.512 5.569 -6.243 306 2H5* G 28 2H5* G 28 10.634 6.902 -7.409 307 H4* G 28 H4* G 28 10.900 7.860 -5.290 308 H3* G 28 H3* G 28 13.073 8.029 -7.086 309 H1* G 28 H1* G 28 13.028 7.790 -3.274 310 H8 G 28 H8 G 28 14.576 4.564 -4.794 311 H1 G 28 H1 G 28 15.939 5.736 1.371 312 1H2 G 28 1H2 G 28 14.970 7.614 2.012 313 2H2 G 28 2H2 G 28 13.997 8.578 0.922 314 1H2* G 28 1H2* G 28 14.670 6.943 -5.719 315 2H2* G 28 2H2* G 28 14.686 8.493 -4.890 316 1H5* C 29 1H5* C 29 12.058 10.536 -3.874 317 2H5* C 29 2H5* C 29 11.783 12.281 -4.068 318 H4* C 29 H4* C 29 12.225 12.047 -1.814 319 H3* C 29 H3* C 29 14.015 13.565 -3.197 320 H1* C 29 H1* C 29 15.047 11.059 -0.500 321 1H4 C 29 1H4 C 29 18.959 6.240 -1.740 322 2H4 C 29 2H4 C 29 18.404 6.129 -3.397 323 H5 C 29 H5 C 29 16.758 7.636 -4.339 324 H6 C 29 H6 C 29 15.309 9.544 -3.882 325 1H2* C 29 1H2* C 29 15.778 11.946 -3.337 326 2H2* C 29 2H2* C 29 16.189 12.732 -1.818 327 1H5* C 30 1H5* C 30 14.729 14.609 1.673 328 2H5* C 30 2H5* C 30 14.987 16.358 1.510 329 H4* C 30 H4* C 30 16.552 15.344 3.071 330 H3* C 30 H3* C 30 17.278 17.203 1.232 331 H1* C 30 H1* C 30 19.370 14.015 1.842 332 1H4 C 30 1H4 C 30 20.012 9.627 -2.679 333 2H4 C 30 2H4 C 30 18.945 10.494 -3.761 334 H5 C 30 H5 C 30 17.842 12.555 -3.147 335 H6 C 30 H6 C 30 17.521 14.194 -1.369 336 H3T C 30 H3T C 30 19.280 17.213 2.465 337 1H2* C 30 1H2* C 30 18.223 15.744 -0.403 338 2H2* C 30 2H2* C 30 19.644 16.047 0.588 339 1H ASP 10 1H ASP 10 -4.447 15.864 7.675 340 HA ASP 10 HA ASP 10 -7.048 16.126 8.963 341 1HB ASP 10 1HB ASP 10 -7.653 18.157 7.717 342 2HB ASP 10 2HB ASP 10 -6.316 18.447 8.820 343 H GLU 11 H GLU 11 -5.385 14.447 6.951 344 HA GLU 11 HA GLU 11 -7.205 14.497 4.680 345 1HB GLU 11 1HB GLU 11 -4.792 12.752 5.183 346 2HB GLU 11 2HB GLU 11 -5.727 12.794 3.704 347 1HG GLU 11 1HG GLU 11 -3.766 14.042 3.320 348 2HG GLU 11 2HG GLU 11 -5.091 15.194 3.461 349 H LEU 12 H LEU 12 -8.531 12.861 4.121 350 HA LEU 12 HA LEU 12 -8.671 10.473 5.804 351 1HB LEU 12 1HB LEU 12 -11.044 12.170 4.993 352 2HB LEU 12 2HB LEU 12 -11.163 10.568 5.689 353 HG LEU 12 HG LEU 12 -9.954 12.954 7.091 354 1HD1 LEU 12 1HD1 LEU 12 -11.987 12.929 8.446 355 2HD1 LEU 12 2HD1 LEU 12 -12.648 11.644 7.436 356 3HD1 LEU 12 3HD1 LEU 12 -12.350 13.241 6.749 357 1HD2 LEU 12 1HD2 LEU 12 -9.029 10.822 7.832 358 2HD2 LEU 12 2HD2 LEU 12 -10.657 10.192 8.082 359 3HD2 LEU 12 3HD2 LEU 12 -10.065 11.525 9.075 360 H CYS 13 H CYS 13 -9.660 8.665 4.674 361 HA CYS 13 HA CYS 13 -8.886 8.562 1.942 362 1HB CYS 13 1HB CYS 13 -8.869 6.576 3.408 363 2HB CYS 13 2HB CYS 13 -10.624 6.646 3.516 364 HG CYS 13 HG CYS 13 -9.064 6.270 0.504 365 HA PRO 14 HA PRO 14 -12.631 10.620 0.647 366 1HB PRO 14 1HB PRO 14 -11.913 11.009 -1.925 367 2HB PRO 14 2HB PRO 14 -11.245 11.963 -0.598 368 1HG PRO 14 1HG PRO 14 -10.048 9.647 -2.059 369 2HG PRO 14 2HG PRO 14 -9.277 11.146 -1.510 370 1HD PRO 14 1HD PRO 14 -9.080 8.763 -0.184 371 2HD PRO 14 2HD PRO 14 -8.950 10.345 0.608 372 H VAL 15 H VAL 15 -11.925 7.536 0.263 373 HA VAL 15 HA VAL 15 -13.926 7.036 -1.818 374 HB VAL 15 HB VAL 15 -11.924 5.127 -0.591 375 1HG1 VAL 15 1HG1 VAL 15 -12.656 3.553 -2.325 376 2HG1 VAL 15 2HG1 VAL 15 -13.911 4.691 -2.816 377 3HG1 VAL 15 3HG1 VAL 15 -13.962 3.960 -1.211 378 1HG2 VAL 15 1HG2 VAL 15 -10.880 6.765 -2.052 379 2HG2 VAL 15 2HG2 VAL 15 -12.034 6.381 -3.329 380 3HG2 VAL 15 3HG2 VAL 15 -10.869 5.168 -2.800 381 H CYS 16 H CYS 16 -12.977 5.804 1.407 382 HA CYS 16 HA CYS 16 -15.753 4.893 1.743 383 1HB CYS 16 1HB CYS 16 -14.773 3.289 3.405 384 2HB CYS 16 2HB CYS 16 -14.244 3.042 1.743 385 HG CYS 16 HG CYS 16 -12.416 3.331 4.374 386 H GLY 17 H GLY 17 -13.516 7.163 2.904 387 1HA GLY 17 1HA GLY 17 -13.898 8.798 4.513 388 2HA GLY 17 2HA GLY 17 -15.323 7.917 5.036 389 H ASP 18 H ASP 18 -12.262 6.296 4.760 390 HA ASP 18 HA ASP 18 -12.143 6.066 7.675 391 1HB ASP 18 1HB ASP 18 -10.835 4.507 5.449 392 2HB ASP 18 2HB ASP 18 -10.298 4.363 7.120 393 H LYS 19 H LYS 19 -9.830 6.033 8.587 394 HA LYS 19 HA LYS 19 -8.626 8.555 7.987 395 1HB LYS 19 1HB LYS 19 -7.706 6.290 9.764 396 2HB LYS 19 2HB LYS 19 -6.916 7.857 9.667 397 1HG LYS 19 1HG LYS 19 -8.966 8.936 10.459 398 2HG LYS 19 2HG LYS 19 -9.742 7.354 10.575 399 1HD LYS 19 1HD LYS 19 -7.262 8.186 12.081 400 2HD LYS 19 2HD LYS 19 -8.895 8.170 12.749 401 1HE LYS 19 1HE LYS 19 -7.415 5.771 11.672 402 2HE LYS 19 2HE LYS 19 -7.614 6.168 13.377 403 1HZ LYS 19 1HZ LYS 19 -9.219 4.517 12.684 404 2HZ LYS 19 2HZ LYS 19 -9.804 5.540 11.467 405 3HZ LYS 19 3HZ LYS 19 -10.016 5.958 13.097 406 H VAL 20 H VAL 20 -6.511 8.934 7.196 407 HA VAL 20 HA VAL 20 -5.824 7.171 5.040 408 HB VAL 20 HB VAL 20 -4.063 8.809 4.507 409 1HG1 VAL 20 1HG1 VAL 20 -5.551 10.683 3.986 410 2HG1 VAL 20 2HG1 VAL 20 -6.760 10.021 5.084 411 3HG1 VAL 20 3HG1 VAL 20 -6.303 9.128 3.633 412 1HG2 VAL 20 1HG2 VAL 20 -3.462 9.493 6.770 413 2HG2 VAL 20 2HG2 VAL 20 -5.040 10.256 6.970 414 3HG2 VAL 20 3HG2 VAL 20 -3.896 10.893 5.788 415 H SER 21 H SER 21 -3.946 6.020 4.748 416 HA SER 21 HA SER 21 -2.322 5.574 7.156 417 1HB SER 21 1HB SER 21 -2.508 3.849 4.671 418 2HB SER 21 2HB SER 21 -1.740 3.425 6.201 419 HG SER 21 HG SER 21 -3.964 3.804 7.105 420 H GLY 22 H GLY 22 -2.329 7.522 4.657 421 1HA GLY 22 1HA GLY 22 -0.291 8.878 4.383 422 2HA GLY 22 2HA GLY 22 0.587 7.362 4.235 423 H TYR 23 H TYR 23 1.152 8.880 2.257 424 HA TYR 23 HA TYR 23 -0.556 8.984 0.036 425 1HB TYR 23 1HB TYR 23 2.392 9.096 0.447 426 2HB TYR 23 2HB TYR 23 1.814 8.790 -1.184 427 HD1 TYR 23 HD1 TYR 23 0.721 10.502 -2.455 428 HD2 TYR 23 HD2 TYR 23 1.941 11.239 1.553 429 HE1 TYR 23 HE1 TYR 23 0.421 12.914 -2.814 430 HE2 TYR 23 HE2 TYR 23 1.640 13.654 1.206 431 HH TYR 23 HH TYR 23 0.190 14.927 -1.723 432 H HIS 24 H HIS 24 -1.457 7.346 -1.044 433 HA HIS 24 HA HIS 24 0.174 4.953 -1.523 434 1HB HIS 24 1HB HIS 24 -2.694 4.972 -0.585 435 2HB HIS 24 2HB HIS 24 -1.915 3.563 -1.293 436 HD1 HIS 24 HD1 HIS 24 0.842 4.306 0.358 437 HD2 HIS 24 HD2 HIS 24 -2.970 3.586 1.841 438 HE1 HIS 24 HE1 HIS 24 1.174 3.514 2.718 439 HE2 HIS 24 HE2 HIS 24 -1.119 2.770 3.452 440 H TYR 25 H TYR 25 0.506 4.951 -3.611 441 HA TYR 25 HA TYR 25 0.112 4.578 -5.806 442 1HB TYR 25 1HB TYR 25 -2.806 4.652 -5.023 443 2HB TYR 25 2HB TYR 25 -2.225 4.275 -6.641 444 HD1 TYR 25 HD1 TYR 25 -0.819 2.225 -6.983 445 HD2 TYR 25 HD2 TYR 25 -2.829 3.006 -3.315 446 HE1 TYR 25 HE1 TYR 25 -0.570 -0.136 -6.350 447 HE2 TYR 25 HE2 TYR 25 -2.585 0.645 -2.672 448 HH TYR 25 HH TYR 25 -0.521 -1.497 -4.325 449 H GLY 26 H GLY 26 -2.197 6.996 -4.574 450 1HA GLY 26 1HA GLY 26 -1.005 8.993 -6.314 451 2HA GLY 26 2HA GLY 26 -2.666 8.570 -6.699 452 H LEU 27 H LEU 27 -3.579 8.172 -4.044 453 HA LEU 27 HA LEU 27 -3.422 10.919 -2.985 454 1HB LEU 27 1HB LEU 27 -5.769 9.013 -2.960 455 2HB LEU 27 2HB LEU 27 -5.723 10.527 -2.086 456 HG LEU 27 HG LEU 27 -5.413 11.648 -4.366 457 1HD1 LEU 27 1HD1 LEU 27 -6.330 10.374 -6.267 458 2HD1 LEU 27 2HD1 LEU 27 -6.347 8.925 -5.259 459 3HD1 LEU 27 3HD1 LEU 27 -4.815 9.700 -5.665 460 1HD2 LEU 27 1HD2 LEU 27 -7.494 11.640 -2.996 461 2HD2 LEU 27 2HD2 LEU 27 -8.020 10.202 -3.882 462 3HD2 LEU 27 3HD2 LEU 27 -7.780 11.731 -4.733 463 H LEU 28 H LEU 28 -4.154 10.941 -0.596 464 HA LEU 28 HA LEU 28 -2.751 8.871 0.839 465 1HB LEU 28 1HB LEU 28 -4.356 11.238 1.821 466 2HB LEU 28 2HB LEU 28 -3.532 10.108 2.874 467 HG LEU 28 HG LEU 28 -1.404 10.782 1.544 468 1HD1 LEU 28 1HD1 LEU 28 -2.533 12.029 -0.207 469 2HD1 LEU 28 2HD1 LEU 28 -1.454 13.077 0.711 470 3HD1 LEU 28 3HD1 LEU 28 -3.193 13.139 0.991 471 1HD2 LEU 28 1HD2 LEU 28 -1.760 11.260 3.899 472 2HD2 LEU 28 2HD2 LEU 28 -2.735 12.670 3.480 473 3HD2 LEU 28 3HD2 LEU 28 -1.015 12.639 3.090 474 H THR 29 H THR 29 -3.702 6.964 0.938 475 HA THR 29 HA THR 29 -6.588 6.858 1.498 476 HB THR 29 HB THR 29 -6.644 4.721 0.225 477 HG1 THR 29 HG1 THR 29 -4.520 4.966 -1.296 478 1HG2 THR 29 1HG2 THR 29 -5.650 7.109 -1.348 479 2HG2 THR 29 2HG2 THR 29 -7.323 6.798 -0.879 480 3HG2 THR 29 3HG2 THR 29 -6.513 5.723 -2.020 481 H CYS 30 H CYS 30 -7.177 4.608 2.406 482 HA CYS 30 HA CYS 30 -5.373 4.129 4.647 483 1HB CYS 30 1HB CYS 30 -7.336 2.837 5.552 484 2HB CYS 30 2HB CYS 30 -7.649 4.548 5.277 485 HG CYS 30 HG CYS 30 -9.937 3.100 4.585 486 H GLU 31 H GLU 31 -4.788 1.984 5.285 487 HA GLU 31 HA GLU 31 -4.000 0.216 3.283 488 1HB GLU 31 1HB GLU 31 -4.555 -0.293 6.209 489 2HB GLU 31 2HB GLU 31 -3.824 -1.482 5.140 490 1HG GLU 31 1HG GLU 31 -2.696 1.210 5.872 491 2HG GLU 31 2HG GLU 31 -2.124 -0.363 6.426 492 H SER 32 H SER 32 -7.054 0.561 4.893 493 HA SER 32 HA SER 32 -8.223 -1.911 4.348 494 1HB SER 32 1HB SER 32 -9.711 0.712 4.249 495 2HB SER 32 2HB SER 32 -10.295 -0.856 4.808 496 HG SER 32 HG SER 32 -8.549 -0.615 6.466 497 H CYS 33 H CYS 33 -8.166 1.068 2.383 498 HA CYS 33 HA CYS 33 -9.516 -0.259 0.200 499 1HB CYS 33 1HB CYS 33 -8.365 2.516 0.479 500 2HB CYS 33 2HB CYS 33 -9.130 1.928 -0.997 501 HG CYS 33 HG CYS 33 -10.572 3.454 1.379 502 H LYS 34 H LYS 34 -6.235 0.800 0.969 503 HA LYS 34 HA LYS 34 -4.991 0.173 -1.443 504 1HB LYS 34 1HB LYS 34 -3.712 1.268 0.219 505 2HB LYS 34 2HB LYS 34 -4.054 0.028 1.415 506 1HG LYS 34 1HG LYS 34 -2.595 -1.518 0.341 507 2HG LYS 34 2HG LYS 34 -2.400 -0.450 -1.051 508 1HD LYS 34 1HD LYS 34 -1.091 1.064 0.141 509 2HD LYS 34 2HD LYS 34 -1.656 0.469 1.701 510 1HE LYS 34 1HE LYS 34 0.046 -1.134 -0.197 511 2HE LYS 34 2HE LYS 34 0.693 -0.164 1.127 512 1HZ LYS 34 1HZ LYS 34 0.477 -2.428 1.833 513 2HZ LYS 34 2HZ LYS 34 -1.149 -2.478 1.372 514 3HZ LYS 34 3HZ LYS 34 -0.670 -1.496 2.668 515 H GLY 35 H GLY 35 -5.701 -1.958 1.319 516 1HA GLY 35 1HA GLY 35 -4.674 -4.322 0.135 517 2HA GLY 35 2HA GLY 35 -5.809 -4.247 1.476 518 H PHE 36 H PHE 36 -7.972 -3.017 0.353 519 HA PHE 36 HA PHE 36 -9.314 -5.054 -1.000 520 1HB PHE 36 1HB PHE 36 -10.548 -3.351 0.173 521 2HB PHE 36 2HB PHE 36 -9.877 -2.087 -0.849 522 HD1 PHE 36 HD1 PHE 36 -12.085 -5.064 -0.885 523 HD2 PHE 36 HD2 PHE 36 -10.951 -1.448 -2.825 524 HE1 PHE 36 HE1 PHE 36 -14.012 -5.274 -2.399 525 HE2 PHE 36 HE2 PHE 36 -12.876 -1.653 -4.341 526 HZ PHE 36 HZ PHE 36 -14.410 -3.567 -4.129 527 H PHE 37 H PHE 37 -7.732 -2.154 -2.255 528 HA PHE 37 HA PHE 37 -8.438 -2.424 -4.941 529 1HB PHE 37 1HB PHE 37 -7.357 -0.424 -3.856 530 2HB PHE 37 2HB PHE 37 -5.835 -1.304 -3.884 531 HD1 PHE 37 HD1 PHE 37 -8.563 -0.175 -6.146 532 HD2 PHE 37 HD2 PHE 37 -4.426 -1.055 -5.692 533 HE1 PHE 37 HE1 PHE 37 -8.139 0.671 -8.416 534 HE2 PHE 37 HE2 PHE 37 -3.995 -0.211 -7.963 535 HZ PHE 37 HZ PHE 37 -5.854 0.654 -9.327 536 H LYS 38 H LYS 38 -5.501 -3.522 -3.248 537 HA LYS 38 HA LYS 38 -4.317 -4.823 -5.422 538 1HB LYS 38 1HB LYS 38 -4.031 -4.960 -2.479 539 2HB LYS 38 2HB LYS 38 -3.403 -6.322 -3.395 540 1HG LYS 38 1HG LYS 38 -2.056 -4.750 -4.740 541 2HG LYS 38 2HG LYS 38 -2.632 -3.434 -3.719 542 1HD LYS 38 1HD LYS 38 -0.402 -4.288 -3.050 543 2HD LYS 38 2HD LYS 38 -1.613 -4.435 -1.774 544 1HE LYS 38 1HE LYS 38 -0.285 -6.464 -1.913 545 2HE LYS 38 2HE LYS 38 -1.955 -6.787 -2.382 546 1HZ LYS 38 1HZ LYS 38 -1.236 -6.601 -4.719 547 2HZ LYS 38 2HZ LYS 38 -0.489 -7.883 -3.903 548 3HZ LYS 38 3HZ LYS 38 0.367 -6.451 -4.203 549 H ARG 39 H ARG 39 -6.534 -6.105 -2.954 550 HA ARG 39 HA ARG 39 -6.585 -8.769 -3.752 551 1HB ARG 39 1HB ARG 39 -8.779 -7.031 -2.620 552 2HB ARG 39 2HB ARG 39 -8.961 -8.761 -2.870 553 1HG ARG 39 1HG ARG 39 -6.859 -7.494 -1.132 554 2HG ARG 39 2HG ARG 39 -8.388 -8.157 -0.550 555 1HD ARG 39 1HD ARG 39 -7.749 -10.351 -1.483 556 2HD ARG 39 2HD ARG 39 -6.197 -9.667 -1.970 557 HE ARG 39 HE ARG 39 -6.471 -9.180 0.743 558 1HH1 ARG 39 1HH1 ARG 39 -6.292 -11.972 -1.362 559 2HH1 ARG 39 2HH1 ARG 39 -5.524 -12.983 -0.170 560 1HH2 ARG 39 1HH2 ARG 39 -5.487 -10.508 2.322 561 2HH2 ARG 39 2HH2 ARG 39 -5.073 -12.152 1.928 562 H THR 40 H THR 40 -8.397 -6.017 -4.977 563 HA THR 40 HA THR 40 -10.023 -7.493 -6.769 564 HB THR 40 HB THR 40 -9.305 -4.558 -6.844 565 HG1 THR 40 HG1 THR 40 -10.246 -4.913 -4.878 566 1HG2 THR 40 1HG2 THR 40 -11.438 -4.307 -8.022 567 2HG2 THR 40 2HG2 THR 40 -11.668 -6.055 -7.982 568 3HG2 THR 40 3HG2 THR 40 -10.340 -5.361 -8.912 569 H VAL 41 H VAL 41 -7.186 -5.389 -7.331 570 HA VAL 41 HA VAL 41 -7.134 -5.761 -10.116 571 HB VAL 41 HB VAL 41 -4.766 -4.897 -9.968 572 1HG1 VAL 41 1HG1 VAL 41 -6.930 -3.329 -8.564 573 2HG1 VAL 41 2HG1 VAL 41 -6.674 -3.415 -10.307 574 3HG1 VAL 41 3HG1 VAL 41 -5.467 -2.649 -9.276 575 1HG2 VAL 41 1HG2 VAL 41 -5.429 -4.710 -7.043 576 2HG2 VAL 41 2HG2 VAL 41 -4.011 -4.022 -7.833 577 3HG2 VAL 41 3HG2 VAL 41 -4.223 -5.772 -7.766 578 H GLN 42 H GLN 42 -5.394 -7.446 -7.544 579 HA GLN 42 HA GLN 42 -3.669 -8.843 -9.310 580 1HB GLN 42 1HB GLN 42 -4.328 -9.081 -6.410 581 2HB GLN 42 2HB GLN 42 -3.369 -10.330 -7.191 582 1HG GLN 42 1HG GLN 42 -2.677 -7.402 -7.221 583 2HG GLN 42 2HG GLN 42 -2.029 -8.561 -6.061 584 1HE2 GLN 42 1HE2 GLN 42 0.094 -8.331 -6.750 585 2HE2 GLN 42 2HE2 GLN 42 0.648 -8.909 -8.286 586 H ASN 43 H ASN 43 -6.905 -9.503 -8.207 587 HA ASN 43 HA ASN 43 -6.653 -12.220 -9.307 588 1HB ASN 43 1HB ASN 43 -8.748 -11.075 -7.451 589 2HB ASN 43 2HB ASN 43 -8.813 -12.691 -8.144 590 1HD2 ASN 43 1HD2 ASN 43 -7.406 -10.653 -5.765 591 2HD2 ASN 43 2HD2 ASN 43 -6.506 -11.881 -4.937 592 H ASN 44 H ASN 44 -7.450 -9.254 -10.315 593 HA ASN 44 HA ASN 44 -8.631 -8.406 -12.071 594 1HB ASN 44 1HB ASN 44 -8.657 -11.335 -12.798 595 2HB ASN 44 2HB ASN 44 -9.450 -10.128 -13.796 596 1HD2 ASN 44 1HD2 ASN 44 -6.492 -9.488 -12.068 597 2HD2 ASN 44 2HD2 ASN 44 -5.473 -9.394 -13.466 598 H LYS 45 H LYS 45 -9.947 -8.679 -9.704 599 HA LYS 45 HA LYS 45 -12.388 -10.146 -9.991 600 1HB LYS 45 1HB LYS 45 -11.488 -8.169 -7.894 601 2HB LYS 45 2HB LYS 45 -12.950 -9.132 -7.802 602 1HG LYS 45 1HG LYS 45 -11.529 -11.176 -7.929 603 2HG LYS 45 2HG LYS 45 -10.117 -10.126 -7.799 604 1HD LYS 45 1HD LYS 45 -10.659 -11.005 -5.620 605 2HD LYS 45 2HD LYS 45 -11.000 -9.275 -5.648 606 1HE LYS 45 1HE LYS 45 -12.767 -10.558 -4.515 607 2HE LYS 45 2HE LYS 45 -13.365 -9.712 -5.940 608 1HZ LYS 45 1HZ LYS 45 -13.305 -11.760 -7.180 609 2HZ LYS 45 2HZ LYS 45 -14.199 -12.001 -5.759 610 3HZ LYS 45 3HZ LYS 45 -12.610 -12.587 -5.871 611 H HIS 46 H HIS 46 -13.886 -9.466 -11.340 612 HA HIS 46 HA HIS 46 -14.521 -6.609 -11.443 613 1HB HIS 46 1HB HIS 46 -15.079 -8.907 -13.310 614 2HB HIS 46 2HB HIS 46 -15.939 -7.384 -13.437 615 HD1 HIS 46 HD1 HIS 46 -14.928 -5.816 -15.067 616 HD2 HIS 46 HD2 HIS 46 -12.096 -8.376 -13.411 617 HE1 HIS 46 HE1 HIS 46 -12.760 -5.257 -16.203 618 HE2 HIS 46 HE2 HIS 46 -11.032 -6.669 -15.045 619 H TYR 47 H TYR 47 -16.049 -6.036 -10.067 620 HA TYR 47 HA TYR 47 -17.855 -8.040 -8.991 621 1HB TYR 47 1HB TYR 47 -17.576 -5.126 -8.232 622 2HB TYR 47 2HB TYR 47 -18.409 -6.378 -7.317 623 HD1 TYR 47 HD1 TYR 47 -17.079 -8.192 -6.226 624 HD2 TYR 47 HD2 TYR 47 -15.235 -4.819 -8.048 625 HE1 TYR 47 HE1 TYR 47 -14.999 -8.675 -5.006 626 HE2 TYR 47 HE2 TYR 47 -13.154 -5.292 -6.835 627 HH TYR 47 HH TYR 47 -12.313 -6.458 -5.000 628 H THR 48 H THR 48 -20.104 -6.758 -8.365 629 HA THR 48 HA THR 48 -21.154 -5.533 -10.800 630 HB THR 48 HB THR 48 -21.496 -7.989 -11.032 631 HG1 THR 48 HG1 THR 48 -23.822 -7.807 -11.386 632 1HG2 THR 48 1HG2 THR 48 -23.128 -9.115 -9.590 633 2HG2 THR 48 2HG2 THR 48 -23.240 -7.668 -8.588 634 3HG2 THR 48 3HG2 THR 48 -21.726 -8.568 -8.671 635 H CYS 49 H CYS 49 -23.294 -4.560 -10.460 636 HA CYS 49 HA CYS 49 -24.105 -4.229 -7.680 637 1HB CYS 49 1HB CYS 49 -22.445 -2.443 -8.102 638 2HB CYS 49 2HB CYS 49 -23.414 -1.881 -9.460 639 HG CYS 49 HG CYS 49 -24.979 -2.056 -6.477 640 H THR 50 H THR 50 -26.236 -3.384 -7.451 641 HA THR 50 HA THR 50 -27.921 -4.018 -9.735 642 HB THR 50 HB THR 50 -29.785 -3.709 -8.056 643 HG1 THR 50 HG1 THR 50 -28.202 -2.406 -6.661 644 1HG2 THR 50 1HG2 THR 50 -29.312 -5.805 -6.868 645 2HG2 THR 50 2HG2 THR 50 -27.622 -5.702 -7.361 646 3HG2 THR 50 3HG2 THR 50 -28.883 -5.922 -8.575 647 H GLU 51 H GLU 51 -30.015 -2.605 -9.778 648 HA GLU 51 HA GLU 51 -31.066 -0.668 -10.249 649 1HB GLU 51 1HB GLU 51 -29.014 0.558 -8.399 650 2HB GLU 51 2HB GLU 51 -30.461 1.367 -8.988 651 1HG GLU 51 1HG GLU 51 -31.865 -0.225 -7.835 652 2HG GLU 51 2HG GLU 51 -30.448 -1.137 -7.317 653 H SER 52 H SER 52 -27.960 0.945 -9.880 654 HA SER 52 HA SER 52 -27.682 1.166 -12.777 655 1HB SER 52 1HB SER 52 -27.467 3.658 -12.567 656 2HB SER 52 2HB SER 52 -29.092 3.050 -12.242 657 HG SER 52 HG SER 52 -28.948 3.814 -10.298 658 H GLN 53 H GLN 53 -26.276 0.388 -10.007 659 HA GLN 53 HA GLN 53 -24.146 0.193 -9.247 660 1HB GLN 53 1HB GLN 53 -23.368 1.350 -11.931 661 2HB GLN 53 2HB GLN 53 -22.265 0.604 -10.785 662 1HG GLN 53 1HG GLN 53 -23.249 -1.527 -11.088 663 2HG GLN 53 2HG GLN 53 -24.602 -0.846 -11.991 664 1HE2 GLN 53 1HE2 GLN 53 -21.336 0.247 -12.471 665 2HE2 GLN 53 2HE2 GLN 53 -21.111 -0.455 -14.036 666 H SER 54 H SER 54 -25.703 2.985 -9.611 667 HA SER 54 HA SER 54 -23.512 4.783 -8.972 668 1HB SER 54 1HB SER 54 -26.465 5.382 -9.274 669 2HB SER 54 2HB SER 54 -25.161 6.565 -9.175 670 HG SER 54 HG SER 54 -24.311 5.454 -11.115 671 H CYS 55 H CYS 55 -23.193 3.456 -6.991 672 HA CYS 55 HA CYS 55 -24.983 4.296 -4.818 673 1HB CYS 55 1HB CYS 55 -22.913 2.091 -4.784 674 2HB CYS 55 2HB CYS 55 -24.120 2.428 -3.546 675 HG CYS 55 HG CYS 55 -26.289 1.818 -5.281 676 H LYS 56 H LYS 56 -23.875 4.729 -2.729 677 HA LYS 56 HA LYS 56 -21.420 6.281 -3.221 678 1HB LYS 56 1HB LYS 56 -23.602 6.638 -1.157 679 2HB LYS 56 2HB LYS 56 -22.076 7.508 -1.106 680 1HG LYS 56 1HG LYS 56 -23.652 8.971 -2.070 681 2HG LYS 56 2HG LYS 56 -22.631 8.406 -3.388 682 1HD LYS 56 1HD LYS 56 -24.762 8.272 -4.294 683 2HD LYS 56 2HD LYS 56 -24.471 6.624 -3.744 684 1HE LYS 56 1HE LYS 56 -26.016 8.718 -2.215 685 2HE LYS 56 2HE LYS 56 -26.737 7.451 -3.201 686 1HZ LYS 56 1HZ LYS 56 -25.145 7.098 -0.722 687 2HZ LYS 56 2HZ LYS 56 -25.631 5.819 -1.720 688 3HZ LYS 56 3HZ LYS 56 -26.795 6.771 -0.939 689 H ILE 57 H ILE 57 -19.672 6.054 -1.814 690 HA ILE 57 HA ILE 57 -19.765 3.555 -0.277 691 HB ILE 57 HB ILE 57 -17.344 5.065 -1.276 692 1HG1 ILE 57 1HG1 ILE 57 -18.590 4.157 -3.145 693 2HG1 ILE 57 2HG1 ILE 57 -17.156 3.170 -2.885 694 1HG2 ILE 57 1HG2 ILE 57 -16.094 3.060 -0.670 695 2HG2 ILE 57 2HG2 ILE 57 -17.568 2.317 -0.049 696 3HG2 ILE 57 3HG2 ILE 57 -16.902 3.746 0.741 697 1HD1 ILE 57 1HD1 ILE 57 -19.952 2.488 -2.002 698 2HD1 ILE 57 2HD1 ILE 57 -18.516 1.499 -1.732 699 3HD1 ILE 57 3HD1 ILE 57 -19.091 1.791 -3.375 700 H ASP 58 H ASP 58 -19.797 3.638 1.818 701 HA ASP 58 HA ASP 58 -18.672 5.938 3.248 702 1HB ASP 58 1HB ASP 58 -21.171 6.191 2.916 703 2HB ASP 58 2HB ASP 58 -21.383 4.726 3.865 704 H LYS 59 H LYS 59 -19.034 5.251 5.789 705 HA LYS 59 HA LYS 59 -17.185 3.254 6.327 706 1HB LYS 59 1HB LYS 59 -18.047 5.091 7.860 707 2HB LYS 59 2HB LYS 59 -19.432 4.059 8.176 708 1HG LYS 59 1HG LYS 59 -17.951 3.727 9.967 709 2HG LYS 59 2HG LYS 59 -17.788 2.300 8.941 710 1HD LYS 59 1HD LYS 59 -15.611 3.151 9.728 711 2HD LYS 59 2HD LYS 59 -15.753 3.195 7.969 712 1HE LYS 59 1HE LYS 59 -16.229 5.559 8.023 713 2HE LYS 59 2HE LYS 59 -16.258 5.550 9.785 714 1HZ LYS 59 1HZ LYS 59 -13.849 4.743 8.268 715 2HZ LYS 59 2HZ LYS 59 -13.963 5.224 9.890 716 3HZ LYS 59 3HZ LYS 59 -14.159 6.366 8.652 717 H THR 60 H THR 60 -20.714 3.087 6.300 718 HA THR 60 HA THR 60 -20.685 0.267 6.952 719 HB THR 60 HB THR 60 -22.435 1.605 7.946 720 HG1 THR 60 HG1 THR 60 -22.847 -0.644 6.923 721 1HG2 THR 60 1HG2 THR 60 -23.384 2.190 5.144 722 2HG2 THR 60 2HG2 THR 60 -22.584 3.343 6.211 723 3HG2 THR 60 3HG2 THR 60 -24.169 2.696 6.638 724 H GLN 61 H GLN 61 -20.784 2.216 4.093 725 HA GLN 61 HA GLN 61 -21.992 0.052 2.544 726 1HB GLN 61 1HB GLN 61 -21.305 2.877 1.724 727 2HB GLN 61 2HB GLN 61 -22.118 1.695 0.708 728 1HG GLN 61 1HG GLN 61 -23.952 1.602 2.373 729 2HG GLN 61 2HG GLN 61 -23.150 2.889 3.268 730 1HE2 GLN 61 1HE2 GLN 61 -23.141 4.966 2.441 731 2HE2 GLN 61 2HE2 GLN 61 -24.195 5.459 1.164 732 H ARG 62 H ARG 62 -18.996 0.643 3.548 733 HA ARG 62 HA ARG 62 -17.520 0.573 1.114 734 1HB ARG 62 1HB ARG 62 -15.551 0.244 2.511 735 2HB ARG 62 2HB ARG 62 -16.566 1.522 3.159 736 1HG ARG 62 1HG ARG 62 -17.475 -0.098 4.799 737 2HG ARG 62 2HG ARG 62 -16.329 -1.295 4.191 738 1HD ARG 62 1HD ARG 62 -14.491 0.323 4.744 739 2HD ARG 62 2HD ARG 62 -15.703 1.328 5.538 740 HE ARG 62 HE ARG 62 -15.979 -1.181 6.644 741 1HH1 ARG 62 1HH1 ARG 62 -13.434 1.238 6.438 742 2HH1 ARG 62 2HH1 ARG 62 -12.667 0.714 7.905 743 1HH2 ARG 62 1HH2 ARG 62 -14.956 -1.865 8.546 744 2HH2 ARG 62 2HH2 ARG 62 -13.514 -1.062 9.100 745 H LYS 63 H LYS 63 -18.817 -1.893 3.237 746 HA LYS 63 HA LYS 63 -17.485 -3.988 1.705 747 1HB LYS 63 1HB LYS 63 -19.282 -4.113 4.128 748 2HB LYS 63 2HB LYS 63 -18.629 -5.528 3.319 749 1HG LYS 63 1HG LYS 63 -16.339 -4.571 3.770 750 2HG LYS 63 2HG LYS 63 -17.137 -3.398 4.816 751 1HD LYS 63 1HD LYS 63 -18.012 -5.148 6.215 752 2HD LYS 63 2HD LYS 63 -17.416 -6.388 5.111 753 1HE LYS 63 1HE LYS 63 -15.113 -5.708 5.599 754 2HE LYS 63 2HE LYS 63 -15.712 -4.472 6.704 755 1HZ LYS 63 1HZ LYS 63 -16.634 -6.172 8.109 756 2HZ LYS 63 2HZ LYS 63 -14.992 -6.516 7.844 757 3HZ LYS 63 3HZ LYS 63 -16.183 -7.391 7.017 758 H ARG 64 H ARG 64 -20.256 -2.179 1.430 759 HA ARG 64 HA ARG 64 -22.083 -4.294 0.748 760 1HB ARG 64 1HB ARG 64 -22.275 -1.296 0.663 761 2HB ARG 64 2HB ARG 64 -23.542 -2.323 0.004 762 1HG ARG 64 1HG ARG 64 -23.813 -3.381 2.199 763 2HG ARG 64 2HG ARG 64 -22.567 -2.314 2.853 764 1HD ARG 64 1HD ARG 64 -24.856 -1.530 3.336 765 2HD ARG 64 2HD ARG 64 -23.920 -0.377 2.389 766 HE ARG 64 HE ARG 64 -25.367 -1.996 0.616 767 1HH1 ARG 64 1HH1 ARG 64 -25.998 0.387 3.112 768 2HH1 ARG 64 2HH1 ARG 64 -27.413 1.015 2.328 769 1HH2 ARG 64 1HH2 ARG 64 -27.233 -1.174 -0.409 770 2HH2 ARG 64 2HH2 ARG 64 -28.124 0.128 0.330 771 H CYS 65 H CYS 65 -20.883 -1.520 -1.166 772 HA CYS 65 HA CYS 65 -21.198 -3.221 -3.542 773 1HB CYS 65 1HB CYS 65 -21.287 -0.224 -3.231 774 2HB CYS 65 2HB CYS 65 -21.155 -1.014 -4.798 775 HG CYS 65 HG CYS 65 -23.778 -0.316 -4.640 776 HA PRO 66 HA PRO 66 -16.665 -3.018 -3.175 777 1HB PRO 66 1HB PRO 66 -16.844 -5.326 -4.992 778 2HB PRO 66 2HB PRO 66 -16.058 -5.199 -3.415 779 1HG PRO 66 1HG PRO 66 -18.313 -6.619 -3.759 780 2HG PRO 66 2HG PRO 66 -17.988 -5.724 -2.263 781 1HD PRO 66 1HD PRO 66 -19.751 -4.985 -4.570 782 2HD PRO 66 2HD PRO 66 -20.044 -4.805 -2.826 783 H PHE 67 H PHE 67 -18.666 -3.496 -6.052 784 HA PHE 67 HA PHE 67 -16.669 -2.741 -7.922 785 1HB PHE 67 1HB PHE 67 -18.740 -4.039 -8.486 786 2HB PHE 67 2HB PHE 67 -19.668 -2.557 -8.273 787 HD1 PHE 67 HD1 PHE 67 -16.892 -4.039 -10.234 788 HD2 PHE 67 HD2 PHE 67 -19.920 -1.056 -10.036 789 HE1 PHE 67 HE1 PHE 67 -16.441 -3.433 -12.576 790 HE2 PHE 67 HE2 PHE 67 -19.476 -0.446 -12.376 791 HZ PHE 67 HZ PHE 67 -17.734 -1.634 -13.650 792 H CYS 68 H CYS 68 -19.351 -0.971 -6.407 793 HA CYS 68 HA CYS 68 -18.860 1.506 -7.641 794 1HB CYS 68 1HB CYS 68 -20.021 1.028 -4.886 795 2HB CYS 68 2HB CYS 68 -20.238 2.464 -5.882 796 HG CYS 68 HG CYS 68 -21.989 1.443 -7.623 797 H ARG 69 H ARG 69 -17.601 0.013 -4.711 798 HA ARG 69 HA ARG 69 -16.151 2.266 -3.791 799 1HB ARG 69 1HB ARG 69 -16.749 0.393 -2.331 800 2HB ARG 69 2HB ARG 69 -15.713 -0.678 -3.263 801 1HG ARG 69 1HG ARG 69 -13.757 0.596 -2.584 802 2HG ARG 69 2HG ARG 69 -14.788 1.707 -1.677 803 1HD ARG 69 1HD ARG 69 -15.498 -0.079 -0.221 804 2HD ARG 69 2HD ARG 69 -14.591 -1.255 -1.172 805 HE ARG 69 HE ARG 69 -13.006 0.893 -0.072 806 1HH1 ARG 69 1HH1 ARG 69 -14.320 -2.304 0.439 807 2HH1 ARG 69 2HH1 ARG 69 -13.088 -2.772 1.570 808 1HH2 ARG 69 1HH2 ARG 69 -11.393 0.299 1.433 809 2HH2 ARG 69 2HH2 ARG 69 -11.420 -1.289 2.133 810 H PHE 70 H PHE 70 -15.291 -0.511 -5.804 811 HA PHE 70 HA PHE 70 -12.561 0.052 -6.090 812 1HB PHE 70 1HB PHE 70 -13.588 -2.089 -6.743 813 2HB PHE 70 2HB PHE 70 -14.444 -1.282 -8.051 814 HD1 PHE 70 HD1 PHE 70 -10.939 -1.575 -6.795 815 HD2 PHE 70 HD2 PHE 70 -13.568 -1.550 -10.141 816 HE1 PHE 70 HE1 PHE 70 -9.034 -2.006 -8.290 817 HE2 PHE 70 HE2 PHE 70 -11.668 -1.979 -11.641 818 HZ PHE 70 HZ PHE 70 -9.398 -2.209 -10.716 819 H GLN 71 H GLN 71 -15.341 0.977 -8.109 820 HA GLN 71 HA GLN 71 -13.886 2.549 -9.933 821 1HB GLN 71 1HB GLN 71 -16.778 2.665 -9.080 822 2HB GLN 71 2HB GLN 71 -16.112 3.664 -10.364 823 1HG GLN 71 1HG GLN 71 -16.329 0.666 -10.303 824 2HG GLN 71 2HG GLN 71 -17.177 1.791 -11.366 825 1HE2 GLN 71 1HE2 GLN 71 -16.010 2.841 -13.017 826 2HE2 GLN 71 2HE2 GLN 71 -14.500 2.215 -13.594 827 H LYS 72 H LYS 72 -15.352 3.288 -6.823 828 HA LYS 72 HA LYS 72 -15.007 6.071 -6.860 829 1HB LYS 72 1HB LYS 72 -16.354 4.779 -5.195 830 2HB LYS 72 2HB LYS 72 -14.855 4.244 -4.455 831 1HG LYS 72 1HG LYS 72 -15.761 6.044 -3.168 832 2HG LYS 72 2HG LYS 72 -14.296 6.608 -3.975 833 1HD LYS 72 1HD LYS 72 -16.791 7.028 -5.472 834 2HD LYS 72 2HD LYS 72 -16.659 7.941 -3.968 835 1HE LYS 72 1HE LYS 72 -14.524 8.860 -4.707 836 2HE LYS 72 2HE LYS 72 -14.622 7.919 -6.194 837 1HZ LYS 72 1HZ LYS 72 -16.474 9.172 -6.917 838 2HZ LYS 72 2HZ LYS 72 -15.326 10.300 -6.375 839 3HZ LYS 72 3HZ LYS 72 -16.665 9.918 -5.406 840 H CYS 73 H CYS 73 -12.834 3.457 -5.866 841 HA CYS 73 HA CYS 73 -10.736 5.047 -4.884 842 1HB CYS 73 1HB CYS 73 -10.578 2.341 -6.242 843 2HB CYS 73 2HB CYS 73 -9.312 3.070 -5.261 844 HG CYS 73 HG CYS 73 -12.393 2.095 -4.129 845 H LEU 74 H LEU 74 -11.314 3.680 -8.119 846 HA LEU 74 HA LEU 74 -9.020 4.768 -9.360 847 1HB LEU 74 1HB LEU 74 -11.672 4.134 -10.635 848 2HB LEU 74 2HB LEU 74 -10.135 4.288 -11.456 849 HG LEU 74 HG LEU 74 -10.851 2.134 -9.471 850 1HD1 LEU 74 1HD1 LEU 74 -12.066 1.936 -11.546 851 2HD1 LEU 74 2HD1 LEU 74 -10.817 0.692 -11.450 852 3HD1 LEU 74 3HD1 LEU 74 -10.572 2.119 -12.461 853 1HD2 LEU 74 1HD2 LEU 74 -8.413 2.498 -11.202 854 2HD2 LEU 74 2HD2 LEU 74 -8.759 1.105 -10.177 855 3HD2 LEU 74 3HD2 LEU 74 -8.473 2.687 -9.450 856 H THR 75 H THR 75 -12.387 5.847 -9.297 857 HA THR 75 HA THR 75 -12.253 8.187 -10.728 858 HB THR 75 HB THR 75 -13.833 7.473 -8.264 859 HG1 THR 75 HG1 THR 75 -14.186 6.499 -10.464 860 1HG2 THR 75 1HG2 THR 75 -13.615 9.882 -8.252 861 2HG2 THR 75 2HG2 THR 75 -15.256 9.430 -8.722 862 3HG2 THR 75 3HG2 THR 75 -14.104 9.962 -9.949 863 H VAL 76 H VAL 76 -11.439 7.630 -7.343 864 HA VAL 76 HA VAL 76 -11.011 10.305 -6.668 865 HB VAL 76 HB VAL 76 -11.025 7.788 -5.412 866 1HG1 VAL 76 1HG1 VAL 76 -9.195 7.955 -3.827 867 2HG1 VAL 76 2HG1 VAL 76 -8.526 9.292 -4.764 868 3HG1 VAL 76 3HG1 VAL 76 -8.652 7.685 -5.483 869 1HG2 VAL 76 1HG2 VAL 76 -10.786 10.544 -4.267 870 2HG2 VAL 76 2HG2 VAL 76 -11.352 9.106 -3.413 871 3HG2 VAL 76 3HG2 VAL 76 -12.274 9.744 -4.779 872 H GLY 77 H GLY 77 -8.988 7.909 -8.251 873 1HA GLY 77 1HA GLY 77 -7.251 9.247 -9.578 874 2HA GLY 77 2HA GLY 77 -6.718 9.795 -7.999 875 H MET 78 H MET 78 -7.663 6.708 -7.496 876 HA MET 78 HA MET 78 -4.960 5.720 -7.557 877 1HB MET 78 1HB MET 78 -7.556 4.283 -6.945 878 2HB MET 78 2HB MET 78 -5.944 3.623 -6.693 879 1HG MET 78 1HG MET 78 -5.469 5.371 -5.067 880 2HG MET 78 2HG MET 78 -7.066 6.065 -5.334 881 1HE MET 78 1HE MET 78 -6.029 2.273 -5.108 882 2HE MET 78 2HE MET 78 -6.328 1.938 -3.402 883 3HE MET 78 3HE MET 78 -5.035 3.043 -3.870 884 H ARG 79 H ARG 79 -4.019 4.766 -9.251 885 HA ARG 79 HA ARG 79 -5.679 4.335 -11.613 886 1HB ARG 79 1HB ARG 79 -2.664 4.359 -11.418 887 2HB ARG 79 2HB ARG 79 -3.628 4.436 -12.887 888 1HG ARG 79 1HG ARG 79 -3.508 6.538 -10.735 889 2HG ARG 79 2HG ARG 79 -2.727 6.614 -12.315 890 1HD ARG 79 1HD ARG 79 -4.854 6.652 -13.427 891 2HD ARG 79 2HD ARG 79 -5.702 6.366 -11.907 892 HE ARG 79 HE ARG 79 -4.065 8.781 -12.127 893 1HH1 ARG 79 1HH1 ARG 79 -7.251 7.313 -12.137 894 2HH1 ARG 79 2HH1 ARG 79 -8.077 8.804 -11.775 895 1HH2 ARG 79 1HH2 ARG 79 -5.151 10.735 -11.632 896 2HH2 ARG 79 2HH2 ARG 79 -6.884 10.740 -11.493 897 H LEU 80 H LEU 80 -5.575 2.463 -12.866 898 HA LEU 80 HA LEU 80 -5.347 0.020 -11.421 899 1HB LEU 80 1HB LEU 80 -5.634 0.571 -14.375 900 2HB LEU 80 2HB LEU 80 -5.748 -1.021 -13.651 901 HG LEU 80 HG LEU 80 -7.591 1.243 -12.910 902 1HD1 LEU 80 1HD1 LEU 80 -8.029 -0.953 -14.929 903 2HD1 LEU 80 2HD1 LEU 80 -7.783 0.754 -15.301 904 3HD1 LEU 80 3HD1 LEU 80 -9.220 0.242 -14.411 905 1HD2 LEU 80 1HD2 LEU 80 -8.990 -0.575 -12.065 906 2HD2 LEU 80 2HD2 LEU 80 -7.407 -0.571 -11.285 907 3HD2 LEU 80 3HD2 LEU 80 -7.764 -1.748 -12.550 908 H GLU 81 H GLU 81 -3.365 1.720 -13.746 909 HA GLU 81 HA GLU 81 -1.379 -0.371 -13.886 910 1HB GLU 81 1HB GLU 81 -0.160 1.221 -15.310 911 2HB GLU 81 2HB GLU 81 -1.830 1.031 -15.826 912 1HG GLU 81 1HG GLU 81 -2.272 3.118 -14.373 913 2HG GLU 81 2HG GLU 81 -0.529 3.351 -14.474 914 H ALA 82 H ALA 82 -2.125 1.587 -11.443 915 HA ALA 82 HA ALA 82 0.559 2.483 -10.771 916 1HB ALA 82 1HB ALA 82 -2.008 2.742 -9.207 917 2HB ALA 82 2HB ALA 82 -1.336 3.958 -10.295 918 3HB ALA 82 3HB ALA 82 -0.471 3.518 -8.821 919 H VAL 83 H VAL 83 -1.493 -0.196 -10.189 920 HA VAL 83 HA VAL 83 0.008 -1.021 -7.828 921 HB VAL 83 HB VAL 83 -2.316 -1.395 -7.551 922 1HG1 VAL 83 1HG1 VAL 83 -3.042 -1.249 -9.850 923 2HG1 VAL 83 2HG1 VAL 83 -3.675 -2.718 -9.104 924 3HG1 VAL 83 3HG1 VAL 83 -2.301 -2.809 -10.207 925 1HG2 VAL 83 1HG2 VAL 83 -0.849 -3.931 -8.198 926 2HG2 VAL 83 2HG2 VAL 83 -2.496 -3.939 -7.567 927 3HG2 VAL 83 3HG2 VAL 83 -1.187 -3.224 -6.614 928 H ARG 84 H ARG 84 1.790 -2.135 -8.058 929 HA ARG 84 HA ARG 84 2.561 -3.422 -10.474 930 1HB ARG 84 1HB ARG 84 4.154 -2.479 -8.801 931 2HB ARG 84 2HB ARG 84 3.709 -3.771 -7.697 932 1HG ARG 84 1HG ARG 84 5.768 -4.362 -8.721 933 2HG ARG 84 2HG ARG 84 4.515 -5.404 -9.400 934 1HD ARG 84 1HD ARG 84 4.403 -4.033 -11.387 935 2HD ARG 84 2HD ARG 84 5.562 -2.894 -10.700 936 HE ARG 84 HE ARG 84 6.727 -5.447 -10.754 937 1HH1 ARG 84 1HH1 ARG 84 5.691 -2.921 -12.936 938 2HH1 ARG 84 2HH1 ARG 84 6.839 -3.347 -14.178 939 1HH2 ARG 84 1HH2 ARG 84 8.236 -6.020 -12.385 940 2HH2 ARG 84 2HH2 ARG 84 8.276 -5.110 -13.867 941 H ALA 85 H ALA 85 1.400 -5.111 -11.160 942 HA ALA 85 HA ALA 85 0.266 -7.031 -9.330 943 1HB ALA 85 1HB ALA 85 -0.943 -6.372 -11.348 944 2HB ALA 85 2HB ALA 85 -0.619 -8.105 -11.326 945 3HB ALA 85 3HB ALA 85 0.350 -7.039 -12.342 946 H ASP 86 H ASP 86 3.059 -6.714 -11.321 947 HA ASP 86 HA ASP 86 3.932 -9.295 -11.670 948 1HB ASP 86 1HB ASP 86 5.171 -7.605 -12.711 949 2HB ASP 86 2HB ASP 86 5.365 -6.696 -11.219 950 H ARG 87 H ARG 87 5.470 -7.326 -9.148 951 HA ARG 87 HA ARG 87 4.876 -8.774 -6.893 952 1HB ARG 87 1HB ARG 87 5.819 -10.759 -7.917 953 2HB ARG 87 2HB ARG 87 7.288 -9.893 -8.341 954 1HG ARG 87 1HG ARG 87 7.753 -11.288 -6.469 955 2HG ARG 87 2HG ARG 87 7.756 -9.614 -5.918 956 1HD ARG 87 1HD ARG 87 5.477 -9.905 -5.051 957 2HD ARG 87 2HD ARG 87 5.492 -11.586 -5.591 958 HE ARG 87 HE ARG 87 7.571 -10.698 -3.726 959 1HH1 ARG 87 1HH1 ARG 87 4.603 -12.507 -4.246 960 2HH1 ARG 87 2HH1 ARG 87 4.808 -13.475 -2.815 961 1HH2 ARG 87 1HH2 ARG 87 7.837 -11.975 -1.864 962 2HH2 ARG 87 2HH2 ARG 87 6.637 -13.172 -1.453 963 H MET 88 H MET 88 7.426 -7.219 -8.743 964 HA MET 88 HA MET 88 9.166 -6.457 -6.742 965 1HB MET 88 1HB MET 88 8.421 -5.121 -9.328 966 2HB MET 88 2HB MET 88 9.641 -4.441 -8.257 967 1HG MET 88 1HG MET 88 9.718 -7.202 -9.434 968 2HG MET 88 2HG MET 88 10.598 -5.808 -10.058 969 1HE MET 88 1HE MET 88 13.035 -5.035 -7.067 970 2HE MET 88 2HE MET 88 11.428 -4.354 -7.331 971 3HE MET 88 3HE MET 88 12.533 -4.561 -8.691 972 H ARG 89 H ARG 89 8.974 -5.310 -5.014 973 HA ARG 89 HA ARG 89 6.650 -3.685 -4.527 974 1HB ARG 89 1HB ARG 89 9.063 -4.344 -2.836 975 2HB ARG 89 2HB ARG 89 7.721 -3.349 -2.279 976 1HG ARG 89 1HG ARG 89 6.185 -5.187 -2.571 977 2HG ARG 89 2HG ARG 89 7.472 -6.187 -3.243 978 1HD ARG 89 1HD ARG 89 8.619 -6.238 -1.155 979 2HD ARG 89 2HD ARG 89 7.535 -5.026 -0.468 980 HE ARG 89 HE ARG 89 5.747 -6.802 -0.862 981 1HH1 ARG 89 1HH1 ARG 89 9.079 -7.559 -0.116 982 2HH1 ARG 89 2HH1 ARG 89 8.698 -9.073 0.645 983 1HH2 ARG 89 1HH2 ARG 89 5.243 -8.780 0.149 984 2HH2 ARG 89 2HH2 ARG 89 6.515 -9.751 0.835 985 H GLY 90 H GLY 90 7.533 -2.415 -6.511 986 1HA GLY 90 1HA GLY 90 9.529 -0.429 -5.896 987 2HA GLY 90 2HA GLY 90 8.548 -0.514 -7.353 988 H GLY 91 H GLY 91 9.111 1.167 -4.545 989 1HA GLY 91 1HA GLY 91 6.677 2.056 -3.620 990 2HA GLY 91 2HA GLY 91 8.124 3.052 -3.682 991 H ARG 92 H ARG 92 8.552 3.469 -6.297 992 HA ARG 92 HA ARG 92 6.003 4.489 -7.359 993 1HB ARG 92 1HB ARG 92 8.710 5.797 -7.702 994 2HB ARG 92 2HB ARG 92 7.190 6.373 -8.368 995 1HG ARG 92 1HG ARG 92 8.102 6.366 -5.513 996 2HG ARG 92 2HG ARG 92 7.602 7.729 -6.512 997 1HD ARG 92 1HD ARG 92 5.840 5.530 -5.442 998 2HD ARG 92 2HD ARG 92 5.883 7.200 -4.891 999 HE ARG 92 HE ARG 92 5.160 7.662 -7.334 1000 1HH1 ARG 92 1HH1 ARG 92 4.242 4.848 -5.463 1001 2HH1 ARG 92 2HH1 ARG 92 2.647 4.755 -6.143 1002 1HH2 ARG 92 1HH2 ARG 92 3.058 7.543 -8.246 1003 2HH2 ARG 92 2HH2 ARG 92 1.965 6.296 -7.724 1004 H ASN 93 H ASN 93 5.501 3.811 -9.339 1005 HA ASN 93 HA ASN 93 7.540 2.300 -10.802 1006 1HB ASN 93 1HB ASN 93 5.406 1.469 -12.070 1007 2HB ASN 93 2HB ASN 93 5.812 0.804 -10.496 1008 1HD2 ASN 93 1HD2 ASN 93 3.738 0.208 -10.044 1009 2HD2 ASN 93 2HD2 ASN 93 2.485 1.339 -9.675 1010 H LYS 94 H LYS 94 4.615 4.065 -11.815 1011 HA LYS 94 HA LYS 94 6.238 5.300 -13.941 1012 1HB LYS 94 1HB LYS 94 4.483 3.826 -14.791 1013 2HB LYS 94 2HB LYS 94 3.274 4.702 -13.863 1014 1HG LYS 94 1HG LYS 94 3.823 6.735 -15.189 1015 2HG LYS 94 2HG LYS 94 4.881 5.736 -16.187 1016 1HD LYS 94 1HD LYS 94 1.916 5.338 -15.800 1017 2HD LYS 94 2HD LYS 94 2.692 6.027 -17.224 1018 1HE LYS 94 1HE LYS 94 3.892 3.907 -17.571 1019 2HE LYS 94 2HE LYS 94 3.056 3.226 -16.176 1020 1HZ LYS 94 1HZ LYS 94 0.937 3.728 -17.381 1021 2HZ LYS 94 2HZ LYS 94 1.901 2.521 -18.082 1022 3HZ LYS 94 3HZ LYS 94 1.874 4.079 -18.756 1023 H PHE 95 H PHE 95 3.763 5.826 -11.514 1024 HA PHE 95 HA PHE 95 3.464 8.616 -12.203 1025 1HB PHE 95 1HB PHE 95 2.214 7.017 -9.958 1026 2HB PHE 95 2HB PHE 95 1.738 8.636 -10.465 1027 HD1 PHE 95 HD1 PHE 95 0.789 8.954 -12.764 1028 HD2 PHE 95 HD2 PHE 95 1.371 5.113 -11.032 1029 HE1 PHE 95 HE1 PHE 95 -0.768 7.985 -14.402 1030 HE2 PHE 95 HE2 PHE 95 -0.184 4.136 -12.666 1031 HZ PHE 95 HZ PHE 95 -1.255 5.573 -14.355 1032 H GLY 96 H GLY 96 5.982 8.367 -11.617 1033 1HA GLY 96 1HA GLY 96 6.608 8.847 -8.856 1034 2HA GLY 96 2HA GLY 96 7.698 9.027 -10.222 1035 HA PRO 97 HA PRO 97 7.515 13.407 -10.460 1036 1HB PRO 97 1HB PRO 97 5.809 14.022 -12.599 1037 2HB PRO 97 2HB PRO 97 7.553 13.771 -12.686 1038 1HG PRO 97 1HG PRO 97 5.331 11.883 -13.286 1039 2HG PRO 97 2HG PRO 97 6.916 12.043 -14.065 1040 1HD PRO 97 1HD PRO 97 6.396 10.039 -12.376 1041 2HD PRO 97 2HD PRO 97 7.989 10.823 -12.408 1042 H MET 98 H MET 98 4.175 12.379 -11.296 1043 HA MET 98 HA MET 98 2.925 14.644 -10.218 1044 1HB MET 98 1HB MET 98 0.846 13.364 -10.278 1045 2HB MET 98 2HB MET 98 1.772 13.123 -11.753 1046 1HG MET 98 1HG MET 98 2.408 10.950 -11.114 1047 2HG MET 98 2HG MET 98 1.877 11.205 -9.453 1048 1HE MET 98 1HE MET 98 -0.623 11.256 -8.675 1049 2HE MET 98 2HE MET 98 -1.998 11.221 -9.780 1050 3HE MET 98 3HE MET 98 -0.910 12.610 -9.769 1051 H TYR 99 H TYR 99 4.052 11.733 -8.726 1052 HA TYR 99 HA TYR 99 2.598 11.939 -6.283 1053 1HB TYR 99 1HB TYR 99 4.111 10.022 -7.487 1054 2HB TYR 99 2HB TYR 99 5.240 10.617 -6.280 1055 HD1 TYR 99 HD1 TYR 99 1.668 9.550 -6.522 1056 HD2 TYR 99 HD2 TYR 99 5.258 9.559 -4.242 1057 HE1 TYR 99 HE1 TYR 99 0.622 8.052 -4.881 1058 HE2 TYR 99 HE2 TYR 99 4.216 8.066 -2.591 1059 HH TYR 99 HH TYR 99 2.120 7.298 -1.857 1060 H LYS 100 H LYS 100 5.897 12.706 -7.290 1061 HA LYS 100 HA LYS 100 6.779 13.803 -4.857 1062 1HB LYS 100 1HB LYS 100 7.701 14.397 -7.675 1063 2HB LYS 100 2HB LYS 100 8.568 14.838 -6.211 1064 1HG LYS 100 1HG LYS 100 8.842 12.481 -5.651 1065 2HG LYS 100 2HG LYS 100 7.956 12.030 -7.110 1066 1HD LYS 100 1HD LYS 100 10.359 11.851 -7.471 1067 2HD LYS 100 2HD LYS 100 9.670 13.124 -8.481 1068 1HE LYS 100 1HE LYS 100 10.397 14.793 -6.815 1069 2HE LYS 100 2HE LYS 100 11.143 13.501 -5.876 1070 1HZ LYS 100 1HZ LYS 100 12.815 14.539 -7.175 1071 2HZ LYS 100 2HZ LYS 100 11.904 14.406 -8.597 1072 3HZ LYS 100 3HZ LYS 100 12.530 13.015 -7.862 1073 H ARG 101 H ARG 101 5.265 15.251 -7.701 1074 HA ARG 101 HA ARG 101 5.532 17.945 -6.923 1075 1HB ARG 101 1HB ARG 101 4.978 17.151 -9.210 1076 2HB ARG 101 2HB ARG 101 3.358 16.775 -8.637 1077 1HG ARG 101 1HG ARG 101 3.467 18.922 -9.779 1078 2HG ARG 101 2HG ARG 101 2.964 19.099 -8.105 1079 1HD ARG 101 1HD ARG 101 5.263 19.745 -7.517 1080 2HD ARG 101 2HD ARG 101 5.730 19.595 -9.210 1081 HE ARG 101 HE ARG 101 3.548 21.366 -8.992 1082 1HH1 ARG 101 1HH1 ARG 101 6.974 21.183 -8.290 1083 2HH1 ARG 101 2HH1 ARG 101 7.226 22.898 -8.391 1084 1HH2 ARG 101 1HH2 ARG 101 3.861 23.632 -9.101 1085 2HH2 ARG 101 2HH2 ARG 101 5.454 24.294 -8.845 1086 H ASP 102 H ASP 102 2.886 15.618 -6.438 1087 HA ASP 102 HA ASP 102 1.078 17.418 -5.250 1088 1HB ASP 102 1HB ASP 102 0.566 15.077 -6.101 1089 2HB ASP 102 2HB ASP 102 1.263 14.471 -4.602 1090 H ARG 103 H ARG 103 3.450 15.201 -3.818 1091 HA ARG 103 HA ARG 103 2.912 15.936 -1.139 1092 1HB ARG 103 1HB ARG 103 4.041 13.835 -1.724 1093 2HB ARG 103 2HB ARG 103 5.427 14.739 -2.321 1094 1HG ARG 103 1HG ARG 103 5.859 15.596 -0.092 1095 2HG ARG 103 2HG ARG 103 4.434 14.759 0.523 1096 1HD ARG 103 1HD ARG 103 6.427 13.501 1.057 1097 2HD ARG 103 2HD ARG 103 5.445 12.612 -0.105 1098 HE ARG 103 HE ARG 103 7.265 14.048 -1.600 1099 1HH1 ARG 103 1HH1 ARG 103 7.427 11.645 0.939 1100 2HH1 ARG 103 2HH1 ARG 103 8.888 10.925 0.334 1101 1HH2 ARG 103 1HH2 ARG 103 9.196 13.138 -2.380 1102 2HH2 ARG 103 2HH2 ARG 103 9.908 11.787 -1.551 1103 H ALA 104 H ALA 104 5.208 17.123 -3.547 1104 HA ALA 104 HA ALA 104 6.771 18.734 -1.883 1105 1HB ALA 104 1HB ALA 104 7.369 18.227 -4.206 1106 2HB ALA 104 2HB ALA 104 7.394 19.962 -3.891 1107 3HB ALA 104 3HB ALA 104 6.042 19.245 -4.766 1108 H LEU 105 H LEU 105 3.857 19.568 -3.748 1109 HA LEU 105 HA LEU 105 3.721 22.246 -2.846 1110 1HB LEU 105 1HB LEU 105 1.511 20.459 -3.868 1111 2HB LEU 105 2HB LEU 105 1.417 22.203 -3.707 1112 HG LEU 105 HG LEU 105 3.217 20.673 -5.584 1113 1HD1 LEU 105 1HD1 LEU 105 0.887 20.731 -6.285 1114 2HD1 LEU 105 2HD1 LEU 105 1.886 21.740 -7.330 1115 3HD1 LEU 105 3HD1 LEU 105 0.864 22.484 -6.101 1116 1HD2 LEU 105 1HD2 LEU 105 3.916 22.852 -6.415 1117 2HD2 LEU 105 2HD2 LEU 105 4.324 22.667 -4.708 1118 3HD2 LEU 105 3HD2 LEU 105 2.937 23.647 -5.182 1119 H LYS 106 H LYS 106 2.397 19.233 -1.672 1120 HA LYS 106 HA LYS 106 0.656 20.258 0.280 1121 1HB LYS 106 1HB LYS 106 0.683 17.913 -0.536 1122 2HB LYS 106 2HB LYS 106 2.181 17.654 0.347 1123 1HG LYS 106 1HG LYS 106 1.052 18.089 2.443 1124 2HG LYS 106 2HG LYS 106 -0.450 18.434 1.581 1125 1HD LYS 106 1HD LYS 106 -0.339 16.118 0.648 1126 2HD LYS 106 2HD LYS 106 1.015 15.810 1.738 1127 1HE LYS 106 1HE LYS 106 -1.063 15.006 2.708 1128 2HE LYS 106 2HE LYS 106 -0.413 16.346 3.652 1129 1HZ LYS 106 1HZ LYS 106 -1.964 17.830 2.494 1130 2HZ LYS 106 2HZ LYS 106 -2.769 16.615 3.358 1131 3HZ LYS 106 3HZ LYS 106 -2.624 16.499 1.670 1132 H GLN 107 H GLN 107 3.997 19.082 0.559 1133 HA GLN 107 HA GLN 107 4.224 19.771 3.321 1134 1HB GLN 107 1HB GLN 107 6.372 19.147 1.284 1135 2HB GLN 107 2HB GLN 107 6.617 19.236 3.022 1136 1HG GLN 107 1HG GLN 107 4.794 17.283 1.636 1137 2HG GLN 107 2HG GLN 107 6.434 16.931 2.175 1138 1HE2 GLN 107 1HE2 GLN 107 6.209 18.488 4.610 1139 2HE2 GLN 107 2HE2 GLN 107 5.187 17.580 5.674 1140 H GLN 108 H GLN 108 4.601 21.483 0.378 1141 HA GLN 108 HA GLN 108 6.435 23.467 1.288 1142 1HB GLN 108 1HB GLN 108 5.954 22.830 -1.122 1143 2HB GLN 108 2HB GLN 108 4.462 23.741 -0.965 1144 1HG GLN 108 1HG GLN 108 5.814 25.745 -0.399 1145 2HG GLN 108 2HG GLN 108 7.264 24.803 -0.750 1146 1HE2 GLN 108 1HE2 GLN 108 7.888 26.072 -2.474 1147 2HE2 GLN 108 2HE2 GLN 108 7.028 26.105 -3.974 1148 H LYS 109 H LYS 109 5.561 24.135 3.246 1149 HA LYS 109 HA LYS 109 3.492 26.196 2.944 1150 1HB LYS 109 1HB LYS 109 3.761 24.282 5.278 1151 2HB LYS 109 2HB LYS 109 2.668 25.656 5.221 1152 1HG LYS 109 1HG LYS 109 2.564 23.322 3.325 1153 2HG LYS 109 2HG LYS 109 1.580 23.478 4.781 1154 1HD LYS 109 1HD LYS 109 0.590 25.529 3.897 1155 2HD LYS 109 2HD LYS 109 1.589 25.392 2.449 1156 1HE LYS 109 1HE LYS 109 -0.434 23.347 3.349 1157 2HE LYS 109 2HE LYS 109 -0.729 24.583 2.127 1158 1HZ LYS 109 1HZ LYS 109 -0.142 22.426 1.167 1159 2HZ LYS 109 2HZ LYS 109 1.363 22.482 1.944 1160 3HZ LYS 109 3HZ LYS 109 0.979 23.628 0.754 1161 H LYS 110 H LYS 110 4.799 27.947 3.025 1162 HA LYS 110 HA LYS 110 6.196 29.538 3.846 1163 1HB LYS 110 1HB LYS 110 5.046 29.303 5.967 1164 2HB LYS 110 2HB LYS 110 6.013 27.895 6.375 1165 1HG LYS 110 1HG LYS 110 8.029 29.407 6.293 1166 2HG LYS 110 2HG LYS 110 6.896 30.759 6.202 1167 1HD LYS 110 1HD LYS 110 5.882 30.066 8.305 1168 2HD LYS 110 2HD LYS 110 6.971 28.681 8.388 1169 1HE LYS 110 1HE LYS 110 8.880 30.316 8.376 1170 2HE LYS 110 2HE LYS 110 7.686 31.600 8.565 1171 1HZ LYS 110 1HZ LYS 110 6.930 30.501 10.609 1172 2HZ LYS 110 2HZ LYS 110 8.556 30.968 10.704 1173 3HZ LYS 110 3HZ LYS 110 8.155 29.343 10.436 1174 H ALA 111 H ALA 111 8.296 29.811 3.379 1175 HA ALA 111 HA ALA 111 9.985 27.438 3.254 1176 1HB ALA 111 1HB ALA 111 11.521 28.833 1.970 1177 2HB ALA 111 2HB ALA 111 10.511 30.246 2.277 1178 3HB ALA 111 3HB ALA 111 9.891 28.913 1.301 Start of MODEL 9 1 1H5* G 1 1H5* G 1 29.499 3.334 -0.879 2 2H5* G 1 2H5* G 1 28.705 1.772 -1.147 3 H4* G 1 H4* G 1 28.682 3.037 1.187 4 H3* G 1 H3* G 1 27.476 0.781 0.387 5 H1* G 1 H1* G 1 25.318 3.735 1.662 6 H8 G 1 H8 G 1 24.743 2.968 -2.028 7 H1 G 1 H1 G 1 22.176 8.488 0.002 8 1H2 G 1 1H2 G 1 22.841 8.923 2.054 9 2H2 G 1 2H2 G 1 23.916 7.859 2.934 10 H5T G 1 H5T G 1 28.273 4.033 -2.413 11 1H2* G 1 1H2* G 1 25.544 1.759 -0.654 12 2H2* G 1 2H2* G 1 24.935 1.474 0.970 13 1H5* G 2 1H5* G 2 26.671 2.087 4.766 14 2H5* G 2 2H5* G 2 25.760 1.102 5.928 15 H4* G 2 H4* G 2 25.032 3.501 5.602 16 H3* G 2 H3* G 2 23.458 1.275 6.209 17 H1* G 2 H1* G 2 22.639 4.230 4.024 18 H8 G 2 H8 G 2 23.259 1.279 1.577 19 H1 G 2 H1 G 2 19.538 6.052 -0.578 20 1H2 G 2 1H2 G 2 19.232 7.543 1.026 21 2H2 G 2 2H2 G 2 19.942 7.361 2.613 22 1H2* G 2 1H2* G 2 22.310 1.180 4.120 23 2H2* G 2 2H2* G 2 21.318 2.380 4.938 24 1H5* C 3 1H5* C 3 21.815 5.969 6.273 25 2H5* C 3 2H5* C 3 21.545 5.775 8.018 26 H4* C 3 H4* C 3 20.202 7.574 7.304 27 H3* C 3 H3* C 3 19.018 5.601 8.673 28 H1* C 3 H1* C 3 17.393 6.740 5.259 29 1H4 C 3 1H4 C 3 17.765 2.679 0.417 30 2H4 C 3 2H4 C 3 18.842 1.617 1.298 31 H5 C 3 H5 C 3 19.605 2.093 3.548 32 H6 C 3 H6 C 3 19.499 3.680 5.397 33 1H2* C 3 1H2* C 3 18.147 4.293 6.883 34 2H2* C 3 2H2* C 3 16.798 5.400 7.103 35 1H5* T 4 1H5* T 4 16.378 9.003 7.224 36 2H5* T 4 2H5* T 4 15.183 9.596 8.396 37 H4* T 4 H4* T 4 14.242 9.771 6.230 38 H3* T 4 H3* T 4 12.950 8.240 8.201 39 1H2* T 4 1H2* T 4 12.927 6.168 7.088 40 2H2* T 4 2H2* T 4 11.651 6.913 6.136 41 H1* T 4 H1* T 4 13.123 7.566 4.381 42 H3 T 4 H3 T 4 14.048 3.817 2.160 43 1H5M T 4 1H5M T 4 16.891 3.282 6.477 44 2H5M T 4 2H5M T 4 15.359 2.586 7.057 45 3H5M T 4 3H5M T 4 16.200 1.855 5.668 46 H6 T 4 H6 T 4 14.965 5.245 6.616 47 1H5* C 5 1H5* C 5 11.470 9.636 3.941 48 2H5* C 5 2H5* C 5 10.066 10.577 4.492 49 H4* C 5 H4* C 5 9.769 10.063 2.192 50 H3* C 5 H3* C 5 7.767 9.588 3.896 51 H1* C 5 H1* C 5 8.870 6.694 1.492 52 1H4 C 5 1H4 C 5 11.940 1.726 3.937 53 2H4 C 5 2H4 C 5 11.873 2.402 5.548 54 H5 C 5 H5 C 5 10.923 4.574 6.028 55 H6 C 5 H6 C 5 9.836 6.532 5.064 56 1H2* C 5 1H2* C 5 8.203 7.292 4.397 57 2H2* C 5 2H2* C 5 7.112 7.106 3.033 58 1H5* A 6 1H5* A 6 7.332 8.131 -0.427 59 2H5* A 6 2H5* A 6 5.754 8.556 -1.119 60 H4* A 6 H4* A 6 6.452 6.562 -2.151 61 H3* A 6 H3* A 6 4.019 6.602 -0.865 62 H1* A 6 H1* A 6 6.447 3.679 -0.922 63 H8 A 6 H8 A 6 6.690 5.334 2.594 64 1H6 A 6 1H6 A 6 9.144 -0.069 4.360 65 2H6 A 6 2H6 A 6 8.696 1.541 4.877 66 H2 A 6 H2 A 6 8.069 -0.379 0.015 67 1H2* A 6 1H2* A 6 4.645 5.243 1.004 68 2H2* A 6 2H2* A 6 4.163 3.994 -0.135 69 1H5* G 7 1H5* G 7 5.148 3.600 -3.933 70 2H5* G 7 2H5* G 7 3.936 3.243 -5.182 71 H4* G 7 H4* G 7 5.373 1.357 -4.931 72 H3* G 7 H3* G 7 2.610 1.106 -4.705 73 H1* G 7 H1* G 7 5.266 -0.794 -2.598 74 H8 G 7 H8 G 7 3.589 2.045 -0.569 75 H1 G 7 H1 G 7 6.036 -2.796 2.872 76 1H2 G 7 1H2 G 7 6.802 -4.365 1.528 77 2H2 G 7 2H2 G 7 6.715 -4.228 -0.212 78 1H2* G 7 1H2* G 7 2.472 0.423 -2.455 79 2H2* G 7 2H2* G 7 2.968 -1.128 -3.117 80 1H5* G 8 1H5* G 8 5.257 -3.993 -5.619 81 2H5* G 8 2H5* G 8 3.755 -4.013 -6.569 82 H4* G 8 H4* G 8 4.359 -6.074 -5.162 83 H3* G 8 H3* G 8 1.943 -5.279 -6.075 84 H1* G 8 H1* G 8 2.485 -6.199 -2.410 85 H8 G 8 H8 G 8 1.274 -2.603 -2.670 86 H1 G 8 H1 G 8 3.486 -4.310 3.111 87 1H2 G 8 1H2 G 8 4.510 -6.263 2.977 88 2H2 G 8 2H2 G 8 4.643 -7.144 1.471 89 1H2* G 8 1H2* G 8 1.291 -3.990 -4.163 90 2H2* G 8 2H2* G 8 0.582 -5.550 -3.771 91 1H5* G 9 1H5* G 9 3.475 -7.319 -2.179 92 2H5* G 9 2H5* G 9 3.556 -8.312 -3.649 93 H4* G 9 H4* G 9 4.320 -9.859 -2.240 94 H3* G 9 H3* G 9 1.742 -10.461 -2.756 95 H1* G 9 H1* G 9 2.768 -10.019 1.157 96 H8 G 9 H8 G 9 0.847 -7.468 -1.001 97 H1 G 9 H1 G 9 1.187 -6.092 5.257 98 1H2 G 9 1H2 G 9 2.422 -7.585 6.298 99 2H2 G 9 2H2 G 9 3.162 -8.933 5.462 100 1H2* G 9 1H2* G 9 0.585 -9.802 -0.835 101 2H2* G 9 2H2* G 9 1.299 -11.231 -0.098 102 1H5* C 10 1H5* C 10 3.457 -12.232 0.536 103 2H5* C 10 2H5* C 10 3.375 -13.960 0.933 104 H4* C 10 H4* C 10 3.044 -12.758 2.931 105 H3* C 10 H3* C 10 1.053 -14.527 2.061 106 H1* C 10 H1* C 10 0.671 -11.240 3.964 107 1H4 C 10 1H4 C 10 -3.257 -6.695 1.982 108 2H4 C 10 2H4 C 10 -3.298 -7.331 0.351 109 H5 C 10 H5 C 10 -2.062 -9.316 -0.316 110 H6 C 10 H6 C 10 -0.561 -11.079 0.452 111 1H2* C 10 1H2* C 10 -0.676 -12.927 1.786 112 2H2* C 10 2H2* C 10 -0.794 -13.124 3.530 113 1H5* C 11 1H5* C 11 1.546 -12.811 6.513 114 2H5* C 11 2H5* C 11 1.889 -14.441 7.132 115 H4* C 11 H4* C 11 1.349 -13.238 9.030 116 H3* C 11 H3* C 11 -0.256 -15.321 8.538 117 H1* C 11 H1* C 11 -2.009 -11.770 9.097 118 1H4 C 11 1H4 C 11 -4.559 -9.402 3.823 119 2H4 C 11 2H4 C 11 -3.827 -10.640 2.827 120 H5 C 11 H5 C 11 -2.390 -12.368 3.727 121 H6 C 11 H6 C 11 -1.354 -13.241 5.750 122 1H2* C 11 1H2* C 11 -2.096 -14.296 7.469 123 2H2* C 11 2H2* C 11 -2.601 -14.019 9.128 124 1H5* A 12 1H5* A 12 -1.256 -12.607 11.560 125 2H5* A 12 2H5* A 12 -1.135 -13.081 13.267 126 H4* A 12 H4* A 12 -2.627 -11.391 13.437 127 H3* A 12 H3* A 12 -3.857 -13.846 13.766 128 H1* A 12 H1* A 12 -5.362 -10.831 11.858 129 H8 A 12 H8 A 12 -4.188 -13.637 9.441 130 1H6 A 12 1H6 A 12 -7.876 -10.907 5.287 131 2H6 A 12 2H6 A 12 -6.750 -12.217 5.573 132 H2 A 12 H2 A 12 -8.187 -8.623 9.142 133 1H2* A 12 1H2* A 12 -5.142 -13.878 11.773 134 2H2* A 12 2H2* A 12 -6.216 -12.883 12.749 135 1H5* C 13 1H5* C 13 -6.040 -10.174 13.575 136 2H5* C 13 2H5* C 13 -6.654 -9.712 15.176 137 H4* C 13 H4* C 13 -8.039 -8.596 13.700 138 H3* C 13 H3* C 13 -9.261 -10.478 15.290 139 H1* C 13 H1* C 13 -10.113 -9.789 11.642 140 1H4 C 13 1H4 C 13 -9.883 -14.242 7.158 141 2H4 C 13 2H4 C 13 -8.808 -15.247 8.105 142 H5 C 13 H5 C 13 -8.035 -14.628 10.317 143 H6 C 13 H6 C 13 -8.140 -12.924 12.060 144 1H2* C 13 1H2* C 13 -9.662 -12.112 13.590 145 2H2* C 13 2H2* C 13 -11.109 -11.129 13.409 146 1H5* A 14 1H5* A 14 -11.821 -6.904 13.750 147 2H5* A 14 2H5* A 14 -13.007 -6.318 14.933 148 H4* A 14 H4* A 14 -13.994 -6.184 12.793 149 H3* A 14 H3* A 14 -15.268 -7.600 14.786 150 H1* A 14 H1* A 14 -15.130 -8.634 11.084 151 H8 A 14 H8 A 14 -13.001 -10.994 13.316 152 1H6 A 14 1H6 A 14 -12.887 -14.718 8.367 153 2H6 A 14 2H6 A 14 -12.377 -14.521 10.029 154 H2 A 14 H2 A 14 -15.175 -11.012 7.276 155 1H2* A 14 1H2* A 14 -14.941 -9.788 13.910 156 2H2* A 14 2H2* A 14 -16.387 -9.346 13.012 157 1H5* G 15 1H5* G 15 -16.081 -7.984 10.200 158 2H5* G 15 2H5* G 15 -16.645 -6.391 10.748 159 H4* G 15 H4* G 15 -17.554 -6.329 8.701 160 H3* G 15 H3* G 15 -19.549 -6.712 10.388 161 H1* G 15 H1* G 15 -19.151 -9.525 7.568 162 H8 G 15 H8 G 15 -17.653 -10.112 11.089 163 H1 G 15 H1 G 15 -17.212 -15.021 6.977 164 1H2 G 15 1H2 G 15 -18.022 -14.441 5.012 165 2H2 G 15 2H2 G 15 -18.687 -12.850 4.710 166 H3T G 15 H3T G 15 -20.137 -5.634 8.654 167 1H2* G 15 1H2* G 15 -19.627 -9.084 10.504 168 2H2* G 15 2H2* G 15 -20.723 -8.845 9.151 169 1H5* C 16 1H5* C 16 -18.032 -22.776 3.314 170 2H5* C 16 2H5* C 16 -16.301 -22.594 2.980 171 H4* C 16 H4* C 16 -18.169 -21.042 1.906 172 H3* C 16 H3* C 16 -15.511 -20.960 1.714 173 H1* C 16 H1* C 16 -17.337 -17.902 3.258 174 1H4 C 16 1H4 C 16 -16.693 -16.624 9.426 175 2H4 C 16 2H4 C 16 -16.079 -18.226 9.762 176 H5 C 16 H5 C 16 -15.791 -19.912 8.055 177 H6 C 16 H6 C 16 -16.047 -20.409 5.681 178 H5T C 16 H5T C 16 -17.476 -22.521 5.307 179 1H2* C 16 1H2* C 16 -15.042 -19.839 3.790 180 2H2* C 16 2H2* C 16 -15.088 -18.480 2.674 181 1H5* T 17 1H5* T 17 -17.854 -16.824 2.351 182 2H5* T 17 2H5* T 17 -18.005 -16.901 0.583 183 H4* T 17 H4* T 17 -18.342 -14.680 0.945 184 H3* T 17 H3* T 17 -16.081 -15.102 -0.400 185 1H2* T 17 1H2* T 17 -14.508 -15.139 1.392 186 2H2* T 17 2H2* T 17 -14.483 -13.421 1.019 187 H1* T 17 H1* T 17 -15.867 -12.850 2.838 188 H3 T 17 H3 T 17 -14.208 -13.796 6.873 189 1H5M T 17 1H5M T 17 -13.828 -18.371 5.475 190 2H5M T 17 2H5M T 17 -12.272 -17.702 4.928 191 3H5M T 17 3H5M T 17 -13.520 -18.144 3.737 192 H6 T 17 H6 T 17 -14.677 -16.341 2.866 193 1H5* G 18 1H5* G 18 -17.325 -10.764 0.183 194 2H5* G 18 2H5* G 18 -16.833 -9.504 -0.967 195 H4* G 18 H4* G 18 -16.676 -8.704 1.304 196 H3* G 18 H3* G 18 -14.540 -8.522 -0.523 197 H1* G 18 H1* G 18 -14.450 -9.056 3.281 198 H8 G 18 H8 G 18 -13.354 -12.295 1.443 199 H1 G 18 H1 G 18 -11.275 -11.628 7.481 200 1H2 G 18 1H2 G 18 -11.934 -9.690 8.296 201 2H2 G 18 2H2 G 18 -12.890 -8.561 7.363 202 1H2* G 18 1H2* G 18 -12.959 -9.769 0.707 203 2H2* G 18 2H2* G 18 -12.850 -8.293 1.655 204 1H5* T 19 1H5* T 19 -15.296 -6.418 3.011 205 2H5* T 19 2H5* T 19 -15.591 -4.671 2.889 206 H4* T 19 H4* T 19 -15.217 -5.051 5.150 207 H3* T 19 H3* T 19 -13.471 -3.370 3.876 208 1H2* T 19 1H2* T 19 -11.574 -4.809 3.789 209 2H2* T 19 2H2* T 19 -11.340 -4.133 5.396 210 H1* T 19 H1* T 19 -12.389 -5.992 6.487 211 H3 T 19 H3 T 19 -9.101 -9.007 6.351 212 1H5M T 19 1H5M T 19 -10.798 -8.342 1.293 213 2H5M T 19 2H5M T 19 -9.381 -9.333 1.715 214 3H5M T 19 3H5M T 19 -11.021 -10.000 1.897 215 H6 T 19 H6 T 19 -11.973 -7.177 3.010 216 1H5* G 20 1H5* G 20 -11.790 -3.734 8.158 217 2H5* G 20 2H5* G 20 -11.878 -2.062 8.748 218 H4* G 20 H4* G 20 -9.803 -2.614 9.454 219 H3* G 20 H3* G 20 -9.694 -0.995 7.147 220 H1* G 20 H1* G 20 -7.352 -3.903 8.176 221 H8 G 20 H8 G 20 -9.067 -4.336 4.728 222 H1 G 20 H1 G 20 -4.872 -8.901 6.405 223 1H2 G 20 1H2 G 20 -4.154 -8.537 8.463 224 2H2 G 20 2H2 G 20 -4.707 -7.177 9.414 225 1H2* G 20 1H2* G 20 -8.504 -2.456 5.749 226 2H2* G 20 2H2* G 20 -7.133 -2.008 6.753 227 1H5* G 21 1H5* G 21 -7.025 -3.692 9.205 228 2H5* G 21 2H5* G 21 -7.309 -2.366 10.349 229 H4* G 21 H4* G 21 -5.914 -3.629 11.596 230 H3* G 21 H3* G 21 -4.662 -1.400 10.895 231 H1* G 21 H1* G 21 -2.844 -4.819 9.782 232 H8 G 21 H8 G 21 -5.134 -2.877 7.328 233 H1 G 21 H1 G 21 -1.748 -7.716 4.813 234 1H2 G 21 1H2 G 21 -0.587 -8.729 6.387 235 2H2 G 21 2H2 G 21 -0.636 -8.215 8.059 236 1H2* G 21 1H2* G 21 -3.551 -2.042 8.905 237 2H2* G 21 2H2* G 21 -2.325 -2.577 10.047 238 1H5* C 22 1H5* C 22 -2.148 -5.324 11.466 239 2H5* C 22 2H5* C 22 -1.685 -4.858 13.118 240 H4* C 22 H4* C 22 0.007 -6.289 12.562 241 H3* C 22 H3* C 22 0.901 -3.808 12.923 242 H1* C 22 H1* C 22 1.882 -5.600 9.559 243 1H4 C 22 1H4 C 22 -1.018 -3.706 4.264 244 2H4 C 22 2H4 C 22 -1.850 -2.423 5.111 245 H5 C 22 H5 C 22 -1.671 -2.094 7.502 246 H6 C 22 H6 C 22 -0.658 -2.929 9.557 247 1H2* C 22 1H2* C 22 0.793 -3.001 10.679 248 2H2* C 22 2H2* C 22 2.443 -3.607 10.702 249 1H5* C 23 1H5* C 23 2.456 -6.697 9.674 250 2H5* C 23 2H5* C 23 3.278 -7.355 11.105 251 H4* C 23 H4* C 23 4.486 -8.420 9.537 252 H3* C 23 H3* C 23 6.014 -6.514 10.589 253 H1* C 23 H1* C 23 5.632 -6.512 6.646 254 1H4 C 23 1H4 C 23 1.923 -2.015 4.181 255 2H4 C 23 2H4 C 23 1.570 -1.347 5.759 256 H5 C 23 H5 C 23 2.438 -2.303 7.814 257 H6 C 23 H6 C 23 3.776 -4.107 8.761 258 1H2* C 23 1H2* C 23 5.582 -4.719 9.081 259 2H2* C 23 2H2* C 23 6.958 -5.452 8.267 260 1H5* C 24 1H5* C 24 7.474 -9.032 7.409 261 2H5* C 24 2H5* C 24 8.940 -9.994 7.691 262 H4* C 24 H4* C 24 8.845 -9.834 5.395 263 H3* C 24 H3* C 24 11.031 -8.712 6.510 264 H1* C 24 H1* C 24 9.066 -6.879 3.741 265 1H4 C 24 1H4 C 24 5.918 -1.518 4.922 266 2H4 C 24 2H4 C 24 6.295 -1.595 6.628 267 H5 C 24 H5 C 24 7.537 -3.421 7.620 268 H6 C 24 H6 C 24 8.677 -5.530 7.177 269 1H2* C 24 1H2* C 24 10.302 -6.429 6.497 270 2H2* C 24 2H2* C 24 11.113 -6.513 4.940 271 1H5* T 25 1H5* T 25 10.200 -8.892 2.416 272 2H5* T 25 2H5* T 25 11.250 -9.707 1.237 273 H4* T 25 H4* T 25 9.972 -8.280 -0.051 274 H3* T 25 H3* T 25 12.695 -7.713 0.044 275 1H2* T 25 1H2* T 25 12.592 -5.601 1.101 276 2H2* T 25 2H2* T 25 12.157 -5.068 -0.517 277 H1* T 25 H1* T 25 9.811 -5.128 -0.070 278 H3 T 25 H3 T 25 9.229 -1.419 2.343 279 1H5M T 25 1H5M T 25 12.244 -4.734 5.311 280 2H5M T 25 2H5M T 25 11.924 -3.045 5.772 281 3H5M T 25 3H5M T 25 10.701 -4.299 6.085 282 H6 T 25 H6 T 25 11.406 -5.565 3.243 283 1H5* G 26 1H5* G 26 10.538 -5.803 -3.444 284 2H5* G 26 2H5* G 26 11.423 -5.754 -4.982 285 H4* G 26 H4* G 26 10.476 -3.620 -4.626 286 H3* G 26 H3* G 26 13.281 -3.860 -4.882 287 H1* G 26 H1* G 26 11.165 -1.399 -2.928 288 H8 G 26 H8 G 26 12.992 -3.671 -0.357 289 H1 G 26 H1 G 26 10.987 2.042 1.792 290 1H2 G 26 1H2 G 26 10.051 3.172 0.138 291 2H2 G 26 2H2 G 26 9.927 2.520 -1.479 292 1H2* G 26 1H2* G 26 13.829 -2.911 -2.779 293 2H2* G 26 2H2* G 26 13.492 -1.411 -3.634 294 1H5* A 27 1H5* A 27 10.915 -0.338 -6.014 295 2H5* A 27 2H5* A 27 11.113 0.139 -7.713 296 H4* A 27 H4* A 27 10.398 2.080 -6.709 297 H3* A 27 H3* A 27 12.865 2.245 -7.784 298 H1* A 27 H1* A 27 12.164 3.661 -4.263 299 H8 A 27 H8 A 27 13.960 0.220 -4.067 300 1H6 A 27 1H6 A 27 14.891 1.632 1.884 301 2H6 A 27 2H6 A 27 15.160 0.445 0.625 302 H2 A 27 H2 A 27 12.585 4.995 0.000 303 1H2* A 27 1H2* A 27 14.142 1.895 -5.781 304 2H2* A 27 2H2* A 27 14.022 3.648 -5.791 305 1H5* G 28 1H5* G 28 11.054 5.728 -5.967 306 2H5* G 28 2H5* G 28 10.598 7.006 -7.112 307 H4* G 28 H4* G 28 10.754 8.229 -5.217 308 H3* G 28 H3* G 28 12.812 8.801 -6.892 309 H1* G 28 H1* G 28 13.329 8.328 -3.105 310 H8 G 28 H8 G 28 14.512 5.206 -5.086 311 H1 G 28 H1 G 28 16.429 5.565 1.032 312 1H2 G 28 1H2 G 28 15.637 7.389 1.970 313 2H2 G 28 2H2 G 28 14.634 8.527 1.098 314 1H2* G 28 1H2* G 28 14.511 7.514 -5.806 315 2H2* G 28 2H2* G 28 14.692 9.044 -4.961 316 1H5* C 29 1H5* C 29 13.281 9.965 -2.394 317 2H5* C 29 2H5* C 29 12.789 11.650 -2.668 318 H4* C 29 H4* C 29 14.056 11.900 -0.801 319 H3* C 29 H3* C 29 15.253 13.048 -2.903 320 H1* C 29 H1* C 29 17.323 10.688 -0.623 321 1H4 C 29 1H4 C 29 19.158 4.992 -2.688 322 2H4 C 29 2H4 C 29 18.430 5.260 -4.255 323 H5 C 29 H5 C 29 17.191 7.265 -4.806 324 H6 C 29 H6 C 29 16.380 9.403 -3.960 325 1H2* C 29 1H2* C 29 16.670 11.219 -3.554 326 2H2* C 29 2H2* C 29 17.751 12.114 -2.494 327 1H5* C 30 1H5* C 30 17.038 13.265 1.240 328 2H5* C 30 2H5* C 30 17.056 14.999 1.626 329 H4* C 30 H4* C 30 18.496 14.071 3.177 330 H3* C 30 H3* C 30 19.609 15.902 1.584 331 H1* C 30 H1* C 30 21.436 12.400 1.901 332 1H4 C 30 1H4 C 30 21.041 8.582 -3.135 333 2H4 C 30 2H4 C 30 20.149 9.777 -4.050 334 H5 C 30 H5 C 30 19.501 11.923 -3.127 335 H6 C 30 H6 C 30 19.551 13.335 -1.139 336 H3T C 30 H3T C 30 20.186 14.719 3.880 337 1H2* C 30 1H2* C 30 20.595 14.524 -0.079 338 2H2* C 30 2H2* C 30 21.920 14.537 1.076 339 1H ASP 10 1H ASP 10 -4.274 13.288 9.076 340 HA ASP 10 HA ASP 10 -5.863 11.641 10.928 341 1HB ASP 10 1HB ASP 10 -6.783 13.936 11.612 342 2HB ASP 10 2HB ASP 10 -5.126 13.565 12.093 343 H GLU 11 H GLU 11 -5.741 12.631 7.816 344 HA GLU 11 HA GLU 11 -8.424 13.544 7.441 345 1HB GLU 11 1HB GLU 11 -6.351 12.648 5.432 346 2HB GLU 11 2HB GLU 11 -7.886 13.407 5.035 347 1HG GLU 11 1HG GLU 11 -7.219 15.402 6.245 348 2HG GLU 11 2HG GLU 11 -5.667 14.654 6.619 349 H LEU 12 H LEU 12 -9.991 12.471 6.120 350 HA LEU 12 HA LEU 12 -10.017 9.587 6.620 351 1HB LEU 12 1HB LEU 12 -12.248 11.418 5.735 352 2HB LEU 12 2HB LEU 12 -12.414 9.738 6.209 353 HG LEU 12 HG LEU 12 -11.523 11.966 8.043 354 1HD1 LEU 12 1HD1 LEU 12 -14.181 10.552 7.821 355 2HD1 LEU 12 2HD1 LEU 12 -13.854 12.228 7.385 356 3HD1 LEU 12 3HD1 LEU 12 -13.734 11.716 9.069 357 1HD2 LEU 12 1HD2 LEU 12 -10.621 9.789 8.668 358 2HD2 LEU 12 2HD2 LEU 12 -12.238 9.089 8.606 359 3HD2 LEU 12 3HD2 LEU 12 -11.853 10.314 9.815 360 H CYS 13 H CYS 13 -10.296 8.105 5.009 361 HA CYS 13 HA CYS 13 -9.390 8.714 2.407 362 1HB CYS 13 1HB CYS 13 -10.984 6.303 3.306 363 2HB CYS 13 2HB CYS 13 -9.975 6.413 1.870 364 HG CYS 13 HG CYS 13 -9.004 6.187 5.125 365 HA PRO 14 HA PRO 14 -13.269 10.237 0.773 366 1HB PRO 14 1HB PRO 14 -12.473 10.393 -1.827 367 2HB PRO 14 2HB PRO 14 -12.041 11.597 -0.608 368 1HG PRO 14 1HG PRO 14 -10.427 9.322 -1.683 369 2HG PRO 14 2HG PRO 14 -9.921 10.980 -1.313 370 1HD PRO 14 1HD PRO 14 -9.425 8.887 0.340 371 2HD PRO 14 2HD PRO 14 -9.685 10.540 0.933 372 H VAL 15 H VAL 15 -11.822 7.258 0.309 373 HA VAL 15 HA VAL 15 -13.861 6.254 -1.514 374 HB VAL 15 HB VAL 15 -11.535 4.797 -0.237 375 1HG1 VAL 15 1HG1 VAL 15 -13.352 3.275 -0.770 376 2HG1 VAL 15 2HG1 VAL 15 -12.003 3.036 -1.881 377 3HG1 VAL 15 3HG1 VAL 15 -13.434 3.922 -2.410 378 1HG2 VAL 15 1HG2 VAL 15 -11.871 5.861 -3.034 379 2HG2 VAL 15 2HG2 VAL 15 -10.512 4.902 -2.451 380 3HG2 VAL 15 3HG2 VAL 15 -10.800 6.513 -1.796 381 H CYS 16 H CYS 16 -12.537 5.185 1.637 382 HA CYS 16 HA CYS 16 -15.038 3.770 2.120 383 1HB CYS 16 1HB CYS 16 -13.714 2.768 4.033 384 2HB CYS 16 2HB CYS 16 -13.124 2.412 2.412 385 HG CYS 16 HG CYS 16 -11.414 3.468 4.873 386 H GLY 17 H GLY 17 -13.217 6.480 3.389 387 1HA GLY 17 1HA GLY 17 -14.268 8.239 4.559 388 2HA GLY 17 2HA GLY 17 -15.538 7.129 5.042 389 H ASP 18 H ASP 18 -12.321 5.976 5.482 390 HA ASP 18 HA ASP 18 -12.451 6.761 8.320 391 1HB ASP 18 1HB ASP 18 -11.247 4.673 8.887 392 2HB ASP 18 2HB ASP 18 -12.827 4.372 8.177 393 H LYS 19 H LYS 19 -10.253 6.673 9.399 394 HA LYS 19 HA LYS 19 -8.676 8.662 8.331 395 1HB LYS 19 1HB LYS 19 -8.004 6.542 10.359 396 2HB LYS 19 2HB LYS 19 -6.898 7.844 9.949 397 1HG LYS 19 1HG LYS 19 -8.594 9.478 10.642 398 2HG LYS 19 2HG LYS 19 -9.660 8.151 11.100 399 1HD LYS 19 1HD LYS 19 -8.586 8.953 13.080 400 2HD LYS 19 2HD LYS 19 -7.901 7.377 12.690 401 1HE LYS 19 1HE LYS 19 -6.591 9.936 11.812 402 2HE LYS 19 2HE LYS 19 -6.296 9.247 13.406 403 1HZ LYS 19 1HZ LYS 19 -5.565 7.187 12.280 404 2HZ LYS 19 2HZ LYS 19 -4.589 8.527 11.921 405 3HZ LYS 19 3HZ LYS 19 -5.716 7.975 10.786 406 H VAL 20 H VAL 20 -7.149 8.825 6.896 407 HA VAL 20 HA VAL 20 -6.371 6.649 5.254 408 HB VAL 20 HB VAL 20 -4.848 8.237 4.173 409 1HG1 VAL 20 1HG1 VAL 20 -7.189 8.257 3.530 410 2HG1 VAL 20 2HG1 VAL 20 -6.512 9.883 3.449 411 3HG1 VAL 20 3HG1 VAL 20 -7.545 9.424 4.802 412 1HG2 VAL 20 1HG2 VAL 20 -4.684 10.555 4.949 413 2HG2 VAL 20 2HG2 VAL 20 -4.054 9.428 6.151 414 3HG2 VAL 20 3HG2 VAL 20 -5.649 10.149 6.369 415 H SER 21 H SER 21 -4.298 5.733 4.989 416 HA SER 21 HA SER 21 -2.688 5.712 7.434 417 1HB SER 21 1HB SER 21 -2.548 3.884 5.019 418 2HB SER 21 2HB SER 21 -1.708 3.657 6.554 419 HG SER 21 HG SER 21 -3.956 3.715 7.464 420 H GLY 22 H GLY 22 -2.840 7.522 4.816 421 1HA GLY 22 1HA GLY 22 -0.953 9.137 4.653 422 2HA GLY 22 2HA GLY 22 0.086 7.725 4.506 423 H TYR 23 H TYR 23 0.635 9.112 2.544 424 HA TYR 23 HA TYR 23 -1.143 9.081 0.316 425 1HB TYR 23 1HB TYR 23 1.438 10.139 0.941 426 2HB TYR 23 2HB TYR 23 1.566 9.214 -0.551 427 HD1 TYR 23 HD1 TYR 23 0.286 12.215 1.017 428 HD2 TYR 23 HD2 TYR 23 0.207 9.856 -2.520 429 HE1 TYR 23 HE1 TYR 23 -0.649 14.118 -0.225 430 HE2 TYR 23 HE2 TYR 23 -0.727 11.754 -3.774 431 HH TYR 23 HH TYR 23 -1.612 13.820 -3.621 432 H HIS 24 H HIS 24 -1.549 7.445 -1.071 433 HA HIS 24 HA HIS 24 0.503 5.381 -1.385 434 1HB HIS 24 1HB HIS 24 -2.390 4.851 -0.736 435 2HB HIS 24 2HB HIS 24 -1.363 3.645 -1.500 436 HD1 HIS 24 HD1 HIS 24 1.208 4.200 0.231 437 HD2 HIS 24 HD2 HIS 24 -2.640 3.665 1.711 438 HE1 HIS 24 HE1 HIS 24 1.498 3.365 2.586 439 HE2 HIS 24 HE2 HIS 24 -0.840 2.797 3.357 440 H TYR 25 H TYR 25 -2.628 4.834 -2.749 441 HA TYR 25 HA TYR 25 -1.382 4.928 -5.355 442 1HB TYR 25 1HB TYR 25 -4.106 4.006 -4.437 443 2HB TYR 25 2HB TYR 25 -3.620 4.022 -6.126 444 HD1 TYR 25 HD1 TYR 25 -2.066 2.861 -2.914 445 HD2 TYR 25 HD2 TYR 25 -3.105 1.934 -6.933 446 HE1 TYR 25 HE1 TYR 25 -1.112 0.615 -2.637 447 HE2 TYR 25 HE2 TYR 25 -2.151 -0.317 -6.665 448 HH TYR 25 HH TYR 25 -0.455 -1.438 -5.208 449 H GLY 26 H GLY 26 -1.099 7.237 -5.407 450 1HA GLY 26 1HA GLY 26 -1.670 9.016 -6.799 451 2HA GLY 26 2HA GLY 26 -3.303 8.380 -6.914 452 H LEU 27 H LEU 27 -3.200 8.248 -3.820 453 HA LEU 27 HA LEU 27 -3.034 10.963 -2.977 454 1HB LEU 27 1HB LEU 27 -5.331 11.437 -2.546 455 2HB LEU 27 2HB LEU 27 -5.182 11.011 -4.237 456 HG LEU 27 HG LEU 27 -6.071 8.988 -2.194 457 1HD1 LEU 27 1HD1 LEU 27 -8.374 9.575 -2.750 458 2HD1 LEU 27 2HD1 LEU 27 -7.798 10.919 -3.737 459 3HD1 LEU 27 3HD1 LEU 27 -7.536 10.929 -1.993 460 1HD2 LEU 27 1HD2 LEU 27 -6.625 9.255 -5.148 461 2HD2 LEU 27 2HD2 LEU 27 -7.085 7.913 -4.101 462 3HD2 LEU 27 3HD2 LEU 27 -5.383 8.217 -4.446 463 H LEU 28 H LEU 28 -4.617 10.972 -0.784 464 HA LEU 28 HA LEU 28 -3.200 9.163 0.935 465 1HB LEU 28 1HB LEU 28 -5.366 11.180 1.541 466 2HB LEU 28 2HB LEU 28 -4.509 10.252 2.753 467 HG LEU 28 HG LEU 28 -2.378 11.343 1.732 468 1HD1 LEU 28 1HD1 LEU 28 -4.507 13.278 0.832 469 2HD1 LEU 28 2HD1 LEU 28 -3.439 12.339 -0.210 470 3HD1 LEU 28 3HD1 LEU 28 -2.771 13.586 0.837 471 1HD2 LEU 28 1HD2 LEU 28 -4.343 12.925 3.381 472 2HD2 LEU 28 2HD2 LEU 28 -2.611 13.231 3.264 473 3HD2 LEU 28 3HD2 LEU 28 -3.194 11.734 3.990 474 H THR 29 H THR 29 -3.810 7.208 1.425 475 HA THR 29 HA THR 29 -6.638 6.526 1.632 476 HB THR 29 HB THR 29 -6.011 4.347 0.323 477 HG1 THR 29 HG1 THR 29 -4.159 6.234 -0.754 478 1HG2 THR 29 1HG2 THR 29 -6.767 5.354 -1.776 479 2HG2 THR 29 2HG2 THR 29 -6.436 6.963 -1.130 480 3HG2 THR 29 3HG2 THR 29 -7.703 5.966 -0.412 481 H CYS 30 H CYS 30 -6.990 4.585 2.877 482 HA CYS 30 HA CYS 30 -4.785 4.033 4.684 483 1HB CYS 30 1HB CYS 30 -6.420 2.812 6.024 484 2HB CYS 30 2HB CYS 30 -7.020 4.418 5.629 485 HG CYS 30 HG CYS 30 -9.305 3.238 5.260 486 H GLU 31 H GLU 31 -4.645 1.642 5.403 487 HA GLU 31 HA GLU 31 -3.599 0.184 3.257 488 1HB GLU 31 1HB GLU 31 -4.426 -0.809 5.990 489 2HB GLU 31 2HB GLU 31 -3.381 -1.668 4.864 490 1HG GLU 31 1HG GLU 31 -2.803 0.955 6.223 491 2HG GLU 31 2HG GLU 31 -2.040 -0.602 6.545 492 H SER 32 H SER 32 -6.790 0.224 4.663 493 HA SER 32 HA SER 32 -7.742 -2.203 3.575 494 1HB SER 32 1HB SER 32 -8.827 -0.836 5.419 495 2HB SER 32 2HB SER 32 -9.405 0.256 4.160 496 HG SER 32 HG SER 32 -10.493 -2.011 4.985 497 H CYS 33 H CYS 33 -7.611 1.103 2.335 498 HA CYS 33 HA CYS 33 -9.289 0.757 0.109 499 1HB CYS 33 1HB CYS 33 -6.933 2.633 0.420 500 2HB CYS 33 2HB CYS 33 -8.176 2.755 -0.822 501 HG CYS 33 HG CYS 33 -8.984 2.914 2.493 502 H LYS 34 H LYS 34 -5.710 0.751 0.227 503 HA LYS 34 HA LYS 34 -5.523 -0.177 -2.459 504 1HB LYS 34 1HB LYS 34 -3.137 -0.384 -2.085 505 2HB LYS 34 2HB LYS 34 -3.726 1.148 -1.464 506 1HG LYS 34 1HG LYS 34 -3.448 0.480 0.764 507 2HG LYS 34 2HG LYS 34 -3.320 -1.228 0.324 508 1HD LYS 34 1HD LYS 34 -1.182 -0.893 -0.675 509 2HD LYS 34 2HD LYS 34 -1.339 0.859 -0.573 510 1HE LYS 34 1HE LYS 34 0.190 -0.029 1.115 511 2HE LYS 34 2HE LYS 34 -1.209 0.759 1.844 512 1HZ LYS 34 1HZ LYS 34 -2.186 -1.505 2.087 513 2HZ LYS 34 2HZ LYS 34 -0.807 -1.225 3.031 514 3HZ LYS 34 3HZ LYS 34 -0.694 -2.150 1.613 515 H GLY 35 H GLY 35 -5.924 -1.745 0.570 516 1HA GLY 35 1HA GLY 35 -4.850 -4.275 -0.041 517 2HA GLY 35 2HA GLY 35 -6.123 -3.959 1.130 518 H PHE 36 H PHE 36 -8.252 -3.207 -0.150 519 HA PHE 36 HA PHE 36 -9.125 -5.558 -1.484 520 1HB PHE 36 1HB PHE 36 -10.734 -4.350 -0.196 521 2HB PHE 36 2HB PHE 36 -10.420 -2.861 -1.082 522 HD1 PHE 36 HD1 PHE 36 -11.884 -2.252 -2.744 523 HD2 PHE 36 HD2 PHE 36 -11.552 -6.363 -1.698 524 HE1 PHE 36 HE1 PHE 36 -13.691 -2.795 -4.319 525 HE2 PHE 36 HE2 PHE 36 -13.362 -6.913 -3.270 526 HZ PHE 36 HZ PHE 36 -14.432 -5.127 -4.584 527 H PHE 37 H PHE 37 -8.248 -2.324 -2.583 528 HA PHE 37 HA PHE 37 -9.146 -2.478 -5.206 529 1HB PHE 37 1HB PHE 37 -8.383 -0.394 -4.226 530 2HB PHE 37 2HB PHE 37 -6.748 -1.023 -4.078 531 HD1 PHE 37 HD1 PHE 37 -5.289 -0.056 -5.538 532 HD2 PHE 37 HD2 PHE 37 -9.271 -0.814 -6.826 533 HE1 PHE 37 HE1 PHE 37 -4.739 0.850 -7.757 534 HE2 PHE 37 HE2 PHE 37 -8.722 0.083 -9.046 535 HZ PHE 37 HZ PHE 37 -6.461 0.922 -9.517 536 H LYS 38 H LYS 38 -5.913 -3.310 -3.937 537 HA LYS 38 HA LYS 38 -5.004 -4.128 -6.518 538 1HB LYS 38 1HB LYS 38 -2.933 -4.512 -5.531 539 2HB LYS 38 2HB LYS 38 -3.626 -3.234 -4.565 540 1HG LYS 38 1HG LYS 38 -4.199 -4.805 -2.849 541 2HG LYS 38 2HG LYS 38 -3.501 -6.110 -3.823 542 1HD LYS 38 1HD LYS 38 -1.371 -4.846 -3.882 543 2HD LYS 38 2HD LYS 38 -2.081 -3.681 -2.759 544 1HE LYS 38 1HE LYS 38 -2.394 -5.385 -1.130 545 2HE LYS 38 2HE LYS 38 -1.826 -6.609 -2.260 546 1HZ LYS 38 1HZ LYS 38 -0.173 -4.342 -1.307 547 2HZ LYS 38 2HZ LYS 38 0.342 -5.650 -2.244 548 3HZ LYS 38 3HZ LYS 38 -0.120 -5.893 -0.635 549 H ARG 39 H ARG 39 -6.247 -5.783 -3.675 550 HA ARG 39 HA ARG 39 -5.872 -8.434 -4.421 551 1HB ARG 39 1HB ARG 39 -8.115 -7.072 -2.973 552 2HB ARG 39 2HB ARG 39 -8.246 -8.773 -3.384 553 1HG ARG 39 1HG ARG 39 -6.150 -9.187 -2.133 554 2HG ARG 39 2HG ARG 39 -6.156 -7.490 -1.644 555 1HD ARG 39 1HD ARG 39 -8.365 -7.810 -0.617 556 2HD ARG 39 2HD ARG 39 -8.327 -9.508 -1.082 557 HE ARG 39 HE ARG 39 -6.683 -8.234 0.986 558 1HH1 ARG 39 1HH1 ARG 39 -7.665 -11.132 -0.704 559 2HH1 ARG 39 2HH1 ARG 39 -7.234 -12.201 0.597 560 1HH2 ARG 39 1HH2 ARG 39 -6.110 -9.637 2.712 561 2HH2 ARG 39 2HH2 ARG 39 -6.332 -11.353 2.536 562 H THR 40 H THR 40 -8.374 -6.179 -5.449 563 HA THR 40 HA THR 40 -9.856 -8.014 -7.002 564 HB THR 40 HB THR 40 -9.724 -5.001 -7.254 565 HG1 THR 40 HG1 THR 40 -10.337 -5.462 -5.173 566 1HG2 THR 40 1HG2 THR 40 -11.988 -5.205 -8.164 567 2HG2 THR 40 2HG2 THR 40 -11.883 -6.961 -8.045 568 3HG2 THR 40 3HG2 THR 40 -10.828 -6.087 -9.156 569 H VAL 41 H VAL 41 -7.517 -5.480 -7.957 570 HA VAL 41 HA VAL 41 -7.720 -5.996 -10.716 571 HB VAL 41 HB VAL 41 -5.575 -4.716 -10.911 572 1HG1 VAL 41 1HG1 VAL 41 -7.731 -3.605 -11.025 573 2HG1 VAL 41 2HG1 VAL 41 -6.557 -2.594 -10.180 574 3HG1 VAL 41 3HG1 VAL 41 -7.776 -3.483 -9.265 575 1HG2 VAL 41 1HG2 VAL 41 -5.868 -4.492 -7.926 576 2HG2 VAL 41 2HG2 VAL 41 -4.724 -3.593 -8.925 577 3HG2 VAL 41 3HG2 VAL 41 -4.585 -5.346 -8.782 578 H GLN 42 H GLN 42 -5.387 -7.174 -8.315 579 HA GLN 42 HA GLN 42 -3.616 -8.364 -10.153 580 1HB GLN 42 1HB GLN 42 -4.138 -8.991 -7.247 581 2HB GLN 42 2HB GLN 42 -2.832 -9.704 -8.180 582 1HG GLN 42 1HG GLN 42 -3.180 -6.747 -7.762 583 2HG GLN 42 2HG GLN 42 -2.175 -7.774 -6.746 584 1HE2 GLN 42 1HE2 GLN 42 -0.316 -6.662 -7.272 585 2HE2 GLN 42 2HE2 GLN 42 0.441 -6.778 -8.820 586 H ASN 43 H ASN 43 -6.681 -9.417 -8.951 587 HA ASN 43 HA ASN 43 -6.176 -12.103 -10.031 588 1HB ASN 43 1HB ASN 43 -8.256 -11.130 -8.067 589 2HB ASN 43 2HB ASN 43 -8.270 -12.742 -8.777 590 1HD2 ASN 43 1HD2 ASN 43 -6.749 -10.622 -6.504 591 2HD2 ASN 43 2HD2 ASN 43 -5.737 -11.815 -5.754 592 H ASN 44 H ASN 44 -7.208 -9.286 -11.111 593 HA ASN 44 HA ASN 44 -8.405 -8.602 -12.922 594 1HB ASN 44 1HB ASN 44 -8.223 -11.558 -13.490 595 2HB ASN 44 2HB ASN 44 -9.075 -10.467 -14.570 596 1HD2 ASN 44 1HD2 ASN 44 -6.257 -9.417 -12.842 597 2HD2 ASN 44 2HD2 ASN 44 -5.190 -9.375 -14.201 598 H LYS 45 H LYS 45 -9.747 -9.072 -10.480 599 HA LYS 45 HA LYS 45 -12.154 -10.557 -11.025 600 1HB LYS 45 1HB LYS 45 -11.120 -9.073 -8.625 601 2HB LYS 45 2HB LYS 45 -12.731 -9.761 -8.671 602 1HG LYS 45 1HG LYS 45 -11.715 -11.975 -9.145 603 2HG LYS 45 2HG LYS 45 -10.128 -11.239 -8.918 604 1HD LYS 45 1HD LYS 45 -10.627 -10.718 -6.634 605 2HD LYS 45 2HD LYS 45 -12.308 -11.220 -6.837 606 1HE LYS 45 1HE LYS 45 -11.494 -13.515 -7.345 607 2HE LYS 45 2HE LYS 45 -9.859 -12.974 -6.968 608 1HZ LYS 45 1HZ LYS 45 -11.060 -14.122 -5.124 609 2HZ LYS 45 2HZ LYS 45 -12.115 -12.793 -5.050 610 3HZ LYS 45 3HZ LYS 45 -10.462 -12.582 -4.727 611 H HIS 46 H HIS 46 -14.096 -9.803 -11.507 612 HA HIS 46 HA HIS 46 -14.573 -6.908 -11.276 613 1HB HIS 46 1HB HIS 46 -15.150 -8.737 -13.579 614 2HB HIS 46 2HB HIS 46 -16.206 -7.360 -13.280 615 HD1 HIS 46 HD1 HIS 46 -15.494 -5.198 -14.252 616 HD2 HIS 46 HD2 HIS 46 -12.345 -7.906 -13.982 617 HE1 HIS 46 HE1 HIS 46 -13.556 -4.107 -15.429 618 HE2 HIS 46 HE2 HIS 46 -11.735 -5.852 -15.439 619 H TYR 47 H TYR 47 -16.204 -6.445 -10.001 620 HA TYR 47 HA TYR 47 -18.000 -8.608 -9.194 621 1HB TYR 47 1HB TYR 47 -17.498 -5.902 -7.930 622 2HB TYR 47 2HB TYR 47 -18.553 -7.154 -7.279 623 HD1 TYR 47 HD1 TYR 47 -17.605 -9.214 -6.337 624 HD2 TYR 47 HD2 TYR 47 -15.104 -6.065 -7.724 625 HE1 TYR 47 HE1 TYR 47 -15.704 -10.198 -5.129 626 HE2 TYR 47 HE2 TYR 47 -13.196 -7.042 -6.520 627 HH TYR 47 HH TYR 47 -12.762 -8.529 -4.653 628 H THR 48 H THR 48 -20.291 -8.095 -8.886 629 HA THR 48 HA THR 48 -21.216 -6.086 -10.834 630 HB THR 48 HB THR 48 -22.477 -8.802 -10.415 631 HG1 THR 48 HG1 THR 48 -20.468 -9.082 -11.417 632 1HG2 THR 48 1HG2 THR 48 -24.035 -7.131 -11.231 633 2HG2 THR 48 2HG2 THR 48 -23.641 -8.256 -12.529 634 3HG2 THR 48 3HG2 THR 48 -22.904 -6.654 -12.497 635 H CYS 49 H CYS 49 -22.510 -4.639 -9.947 636 HA CYS 49 HA CYS 49 -24.174 -5.435 -7.637 637 1HB CYS 49 1HB CYS 49 -22.403 -3.648 -7.255 638 2HB CYS 49 2HB CYS 49 -23.301 -2.626 -8.366 639 HG CYS 49 HG CYS 49 -24.743 -3.867 -5.523 640 H THR 50 H THR 50 -24.238 -5.142 -10.793 641 HA THR 50 HA THR 50 -25.841 -4.996 -12.375 642 HB THR 50 HB THR 50 -27.784 -4.374 -10.141 643 HG1 THR 50 HG1 THR 50 -28.307 -6.712 -10.640 644 1HG2 THR 50 1HG2 THR 50 -28.240 -5.317 -12.976 645 2HG2 THR 50 2HG2 THR 50 -28.613 -3.713 -12.347 646 3HG2 THR 50 3HG2 THR 50 -29.489 -5.121 -11.746 647 H GLU 51 H GLU 51 -25.485 -3.362 -13.665 648 HA GLU 51 HA GLU 51 -25.375 -1.299 -14.568 649 1HB GLU 51 1HB GLU 51 -27.330 -0.627 -12.370 650 2HB GLU 51 2HB GLU 51 -26.857 0.497 -13.639 651 1HG GLU 51 1HG GLU 51 -28.152 -2.180 -14.095 652 2HG GLU 51 2HG GLU 51 -28.988 -0.630 -14.104 653 H SER 52 H SER 52 -25.177 1.234 -13.555 654 HA SER 52 HA SER 52 -22.526 1.155 -12.503 655 1HB SER 52 1HB SER 52 -24.342 3.544 -12.899 656 2HB SER 52 2HB SER 52 -22.588 3.573 -12.723 657 HG SER 52 HG SER 52 -22.877 1.967 -14.674 658 H GLN 53 H GLN 53 -25.721 1.871 -11.251 659 HA GLN 53 HA GLN 53 -26.550 1.674 -9.150 660 1HB GLN 53 1HB GLN 53 -23.752 0.753 -8.596 661 2HB GLN 53 2HB GLN 53 -24.920 0.961 -7.296 662 1HG GLN 53 1HG GLN 53 -25.389 -0.759 -9.711 663 2HG GLN 53 2HG GLN 53 -24.746 -1.353 -8.179 664 1HE2 GLN 53 1HE2 GLN 53 -26.071 -1.473 -6.405 665 2HE2 GLN 53 2HE2 GLN 53 -27.789 -1.356 -6.522 666 H SER 54 H SER 54 -23.355 3.216 -9.033 667 HA SER 54 HA SER 54 -22.617 5.136 -8.068 668 1HB SER 54 1HB SER 54 -25.514 6.018 -8.115 669 2HB SER 54 2HB SER 54 -24.087 7.053 -8.079 670 HG SER 54 HG SER 54 -25.229 5.641 -10.193 671 H CYS 55 H CYS 55 -23.505 2.884 -6.405 672 HA CYS 55 HA CYS 55 -24.858 3.661 -4.091 673 1HB CYS 55 1HB CYS 55 -22.590 1.665 -4.292 674 2HB CYS 55 2HB CYS 55 -23.789 1.749 -3.006 675 HG CYS 55 HG CYS 55 -25.822 1.388 -5.237 676 H LYS 56 H LYS 56 -24.243 4.605 -2.179 677 HA LYS 56 HA LYS 56 -21.867 6.243 -2.316 678 1HB LYS 56 1HB LYS 56 -23.991 6.015 -0.179 679 2HB LYS 56 2HB LYS 56 -22.683 7.192 -0.177 680 1HG LYS 56 1HG LYS 56 -23.539 8.069 -2.334 681 2HG LYS 56 2HG LYS 56 -24.911 6.970 -2.187 682 1HD LYS 56 1HD LYS 56 -25.496 8.045 -0.042 683 2HD LYS 56 2HD LYS 56 -24.168 9.183 -0.278 684 1HE LYS 56 1HE LYS 56 -25.214 9.940 -2.369 685 2HE LYS 56 2HE LYS 56 -26.554 8.831 -2.086 686 1HZ LYS 56 1HZ LYS 56 -27.223 10.960 -1.354 687 2HZ LYS 56 2HZ LYS 56 -25.799 11.197 -0.469 688 3HZ LYS 56 3HZ LYS 56 -26.932 10.044 0.046 689 H ILE 57 H ILE 57 -20.009 5.309 -1.888 690 HA ILE 57 HA ILE 57 -19.747 3.153 -0.017 691 HB ILE 57 HB ILE 57 -17.502 4.750 -1.252 692 1HG1 ILE 57 1HG1 ILE 57 -19.049 3.947 -3.002 693 2HG1 ILE 57 2HG1 ILE 57 -17.493 3.126 -3.079 694 1HG2 ILE 57 1HG2 ILE 57 -16.234 2.668 -0.951 695 2HG2 ILE 57 2HG2 ILE 57 -17.648 1.921 -0.207 696 3HG2 ILE 57 3HG2 ILE 57 -16.853 3.282 0.583 697 1HD1 ILE 57 1HD1 ILE 57 -19.343 1.583 -3.432 698 2HD1 ILE 57 2HD1 ILE 57 -20.024 2.022 -1.866 699 3HD1 ILE 57 3HD1 ILE 57 -18.472 1.190 -1.951 700 H ASP 58 H ASP 58 -19.689 3.426 2.064 701 HA ASP 58 HA ASP 58 -18.220 5.646 3.254 702 1HB ASP 58 1HB ASP 58 -20.689 6.260 3.008 703 2HB ASP 58 2HB ASP 58 -21.034 4.957 4.139 704 H LYS 59 H LYS 59 -18.983 5.031 5.942 705 HA LYS 59 HA LYS 59 -17.371 2.709 6.351 706 1HB LYS 59 1HB LYS 59 -19.100 4.202 8.331 707 2HB LYS 59 2HB LYS 59 -17.858 3.025 8.734 708 1HG LYS 59 1HG LYS 59 -16.268 4.597 7.450 709 2HG LYS 59 2HG LYS 59 -17.550 5.793 7.653 710 1HD LYS 59 1HD LYS 59 -16.244 4.250 9.896 711 2HD LYS 59 2HD LYS 59 -15.827 5.898 9.430 712 1HE LYS 59 1HE LYS 59 -18.585 5.045 10.286 713 2HE LYS 59 2HE LYS 59 -17.377 5.701 11.392 714 1HZ LYS 59 1HZ LYS 59 -18.761 7.057 9.161 715 2HZ LYS 59 2HZ LYS 59 -17.300 7.656 9.778 716 3HZ LYS 59 3HZ LYS 59 -18.656 7.525 10.788 717 H THR 60 H THR 60 -20.710 3.302 5.959 718 HA THR 60 HA THR 60 -21.629 0.866 7.168 719 HB THR 60 HB THR 60 -23.801 1.576 5.967 720 HG1 THR 60 HG1 THR 60 -23.105 4.166 5.827 721 1HG2 THR 60 1HG2 THR 60 -24.253 3.295 7.655 722 2HG2 THR 60 2HG2 THR 60 -22.526 3.416 7.997 723 3HG2 THR 60 3HG2 THR 60 -23.394 1.924 8.358 724 H GLN 61 H GLN 61 -21.311 2.041 3.801 725 HA GLN 61 HA GLN 61 -22.207 -0.604 2.889 726 1HB GLN 61 1HB GLN 61 -21.957 1.899 1.225 727 2HB GLN 61 2HB GLN 61 -22.801 0.415 0.803 728 1HG GLN 61 1HG GLN 61 -24.233 0.927 2.897 729 2HG GLN 61 2HG GLN 61 -23.589 2.561 2.720 730 1HE2 GLN 61 1HE2 GLN 61 -26.309 1.594 2.459 731 2HE2 GLN 61 2HE2 GLN 61 -26.829 2.051 0.870 732 H ARG 62 H ARG 62 -19.365 0.593 3.589 733 HA ARG 62 HA ARG 62 -17.756 0.583 1.345 734 1HB ARG 62 1HB ARG 62 -15.907 -0.124 2.916 735 2HB ARG 62 2HB ARG 62 -16.807 1.313 3.379 736 1HG ARG 62 1HG ARG 62 -18.112 -0.026 4.966 737 2HG ARG 62 2HG ARG 62 -17.183 -1.455 4.510 738 1HD ARG 62 1HD ARG 62 -16.419 -0.339 6.608 739 2HD ARG 62 2HD ARG 62 -15.172 -0.511 5.372 740 HE ARG 62 HE ARG 62 -16.411 1.997 5.090 741 1HH1 ARG 62 1HH1 ARG 62 -14.334 0.289 7.335 742 2HH1 ARG 62 2HH1 ARG 62 -13.481 1.717 7.822 743 1HH2 ARG 62 1HH2 ARG 62 -15.303 3.883 5.758 744 2HH2 ARG 62 2HH2 ARG 62 -14.022 3.748 6.924 745 H LYS 63 H LYS 63 -18.789 -2.205 3.274 746 HA LYS 63 HA LYS 63 -17.222 -3.960 1.541 747 1HB LYS 63 1HB LYS 63 -17.492 -5.639 3.193 748 2HB LYS 63 2HB LYS 63 -17.137 -4.148 4.052 749 1HG LYS 63 1HG LYS 63 -18.911 -4.573 5.311 750 2HG LYS 63 2HG LYS 63 -19.905 -4.213 3.900 751 1HD LYS 63 1HD LYS 63 -20.517 -6.378 4.806 752 2HD LYS 63 2HD LYS 63 -19.770 -6.573 3.217 753 1HE LYS 63 1HE LYS 63 -18.855 -8.247 4.648 754 2HE LYS 63 2HE LYS 63 -17.604 -7.028 4.387 755 1HZ LYS 63 1HZ LYS 63 -18.080 -6.078 6.524 756 2HZ LYS 63 2HZ LYS 63 -17.789 -7.734 6.719 757 3HZ LYS 63 3HZ LYS 63 -19.374 -7.146 6.769 758 H ARG 64 H ARG 64 -20.291 -2.697 1.609 759 HA ARG 64 HA ARG 64 -21.791 -5.075 1.051 760 1HB ARG 64 1HB ARG 64 -22.473 -2.150 0.859 761 2HB ARG 64 2HB ARG 64 -23.594 -3.411 0.370 762 1HG ARG 64 1HG ARG 64 -23.290 -4.352 2.723 763 2HG ARG 64 2HG ARG 64 -22.549 -2.795 3.110 764 1HD ARG 64 1HD ARG 64 -24.956 -2.847 3.641 765 2HD ARG 64 2HD ARG 64 -24.561 -1.631 2.424 766 HE ARG 64 HE ARG 64 -25.408 -4.217 1.407 767 1HH1 ARG 64 1HH1 ARG 64 -26.404 -0.983 2.314 768 2HH1 ARG 64 2HH1 ARG 64 -27.798 -0.991 1.274 769 1HH2 ARG 64 1HH2 ARG 64 -27.216 -4.236 0.060 770 2HH2 ARG 64 2HH2 ARG 64 -28.264 -2.849 -0.017 771 H CYS 65 H CYS 65 -20.483 -2.426 -0.889 772 HA CYS 65 HA CYS 65 -21.134 -4.004 -3.284 773 1HB CYS 65 1HB CYS 65 -20.939 -0.999 -3.032 774 2HB CYS 65 2HB CYS 65 -21.288 -1.884 -4.511 775 HG CYS 65 HG CYS 65 -23.824 -1.883 -4.212 776 HA PRO 66 HA PRO 66 -16.533 -3.944 -3.192 777 1HB PRO 66 1HB PRO 66 -17.082 -6.133 -5.120 778 2HB PRO 66 2HB PRO 66 -15.988 -6.103 -3.733 779 1HG PRO 66 1HG PRO 66 -18.277 -7.464 -3.635 780 2HG PRO 66 2HG PRO 66 -17.678 -6.578 -2.219 781 1HD PRO 66 1HD PRO 66 -19.842 -5.834 -4.147 782 2HD PRO 66 2HD PRO 66 -19.779 -5.621 -2.384 783 H PHE 67 H PHE 67 -18.699 -4.385 -5.978 784 HA PHE 67 HA PHE 67 -16.952 -3.406 -7.955 785 1HB PHE 67 1HB PHE 67 -18.705 -4.437 -8.971 786 2HB PHE 67 2HB PHE 67 -19.840 -3.980 -7.712 787 HD1 PHE 67 HD1 PHE 67 -18.059 -2.663 -10.703 788 HD2 PHE 67 HD2 PHE 67 -21.360 -2.279 -8.048 789 HE1 PHE 67 HE1 PHE 67 -19.062 -0.973 -12.190 790 HE2 PHE 67 HE2 PHE 67 -22.379 -0.599 -9.516 791 HZ PHE 67 HZ PHE 67 -21.220 0.063 -11.599 792 H CYS 68 H CYS 68 -19.432 -1.762 -6.028 793 HA CYS 68 HA CYS 68 -19.078 0.773 -7.225 794 1HB CYS 68 1HB CYS 68 -20.150 0.139 -4.470 795 2HB CYS 68 2HB CYS 68 -20.451 1.601 -5.401 796 HG CYS 68 HG CYS 68 -22.778 0.032 -5.402 797 H ARG 69 H ARG 69 -17.668 -0.793 -4.397 798 HA ARG 69 HA ARG 69 -16.227 1.448 -3.442 799 1HB ARG 69 1HB ARG 69 -16.650 -0.531 -2.059 800 2HB ARG 69 2HB ARG 69 -15.649 -1.504 -3.127 801 1HG ARG 69 1HG ARG 69 -13.702 -0.135 -2.527 802 2HG ARG 69 2HG ARG 69 -14.717 0.794 -1.420 803 1HD ARG 69 1HD ARG 69 -15.179 -1.227 -0.136 804 2HD ARG 69 2HD ARG 69 -14.200 -2.173 -1.259 805 HE ARG 69 HE ARG 69 -12.575 -0.145 -0.309 806 1HH1 ARG 69 1HH1 ARG 69 -14.313 -2.877 0.992 807 2HH1 ARG 69 2HH1 ARG 69 -13.205 -3.134 2.300 808 1HH2 ARG 69 1HH2 ARG 69 -11.100 -0.466 1.410 809 2HH2 ARG 69 2HH2 ARG 69 -11.369 -1.741 2.551 810 H PHE 70 H PHE 70 -15.485 -1.103 -5.741 811 HA PHE 70 HA PHE 70 -12.792 -0.533 -6.206 812 1HB PHE 70 1HB PHE 70 -13.934 -2.549 -7.040 813 2HB PHE 70 2HB PHE 70 -14.884 -1.560 -8.141 814 HD1 PHE 70 HD1 PHE 70 -11.353 -2.398 -7.312 815 HD2 PHE 70 HD2 PHE 70 -14.156 -1.262 -10.304 816 HE1 PHE 70 HE1 PHE 70 -9.622 -2.683 -9.036 817 HE2 PHE 70 HE2 PHE 70 -12.431 -1.543 -12.035 818 HZ PHE 70 HZ PHE 70 -10.158 -2.254 -11.402 819 H GLN 71 H GLN 71 -15.640 0.554 -8.068 820 HA GLN 71 HA GLN 71 -14.280 2.352 -9.720 821 1HB GLN 71 1HB GLN 71 -17.143 2.389 -8.761 822 2HB GLN 71 2HB GLN 71 -16.515 3.448 -10.016 823 1HG GLN 71 1HG GLN 71 -16.573 0.441 -10.126 824 2HG GLN 71 2HG GLN 71 -17.696 1.527 -10.943 825 1HE2 GLN 71 1HE2 GLN 71 -15.588 3.464 -11.604 826 2HE2 GLN 71 2HE2 GLN 71 -14.690 2.745 -12.900 827 H LYS 72 H LYS 72 -15.628 2.774 -6.494 828 HA LYS 72 HA LYS 72 -15.334 5.535 -6.235 829 1HB LYS 72 1HB LYS 72 -16.501 4.172 -4.573 830 2HB LYS 72 2HB LYS 72 -14.992 3.384 -4.133 831 1HG LYS 72 1HG LYS 72 -15.479 5.007 -2.469 832 2HG LYS 72 2HG LYS 72 -14.122 5.609 -3.422 833 1HD LYS 72 1HD LYS 72 -15.368 7.502 -3.422 834 2HD LYS 72 2HD LYS 72 -16.129 6.700 -4.796 835 1HE LYS 72 1HE LYS 72 -17.892 5.854 -3.374 836 2HE LYS 72 2HE LYS 72 -17.114 6.552 -1.954 837 1HZ LYS 72 1HZ LYS 72 -18.366 7.994 -4.225 838 2HZ LYS 72 2HZ LYS 72 -17.387 8.758 -3.069 839 3HZ LYS 72 3HZ LYS 72 -18.834 8.015 -2.591 840 H CYS 73 H CYS 73 -12.999 2.925 -5.669 841 HA CYS 73 HA CYS 73 -10.870 4.493 -4.731 842 1HB CYS 73 1HB CYS 73 -10.745 1.936 -6.355 843 2HB CYS 73 2HB CYS 73 -9.433 2.610 -5.395 844 HG CYS 73 HG CYS 73 -12.397 1.432 -4.152 845 H LEU 74 H LEU 74 -11.599 3.356 -8.053 846 HA LEU 74 HA LEU 74 -9.467 4.679 -9.309 847 1HB LEU 74 1HB LEU 74 -12.129 3.732 -10.324 848 2HB LEU 74 2HB LEU 74 -10.994 4.550 -11.370 849 HG LEU 74 HG LEU 74 -9.319 2.734 -10.679 850 1HD1 LEU 74 1HD1 LEU 74 -11.900 1.521 -9.764 851 2HD1 LEU 74 2HD1 LEU 74 -10.434 1.785 -8.821 852 3HD1 LEU 74 3HD1 LEU 74 -10.450 0.585 -10.115 853 1HD2 LEU 74 1HD2 LEU 74 -11.731 1.988 -12.317 854 2HD2 LEU 74 2HD2 LEU 74 -10.139 1.230 -12.395 855 3HD2 LEU 74 3HD2 LEU 74 -10.343 2.910 -12.893 856 H THR 75 H THR 75 -12.588 5.827 -8.298 857 HA THR 75 HA THR 75 -12.739 8.143 -9.894 858 HB THR 75 HB THR 75 -13.959 7.536 -7.196 859 HG1 THR 75 HG1 THR 75 -14.664 6.202 -8.939 860 1HG2 THR 75 1HG2 THR 75 -15.511 9.376 -7.650 861 2HG2 THR 75 2HG2 THR 75 -14.617 9.771 -9.119 862 3HG2 THR 75 3HG2 THR 75 -13.847 9.954 -7.542 863 H VAL 76 H VAL 76 -11.487 7.642 -6.602 864 HA VAL 76 HA VAL 76 -11.116 10.437 -6.159 865 HB VAL 76 HB VAL 76 -10.056 9.784 -4.049 866 1HG1 VAL 76 1HG1 VAL 76 -12.482 9.930 -4.178 867 2HG1 VAL 76 2HG1 VAL 76 -11.997 8.644 -3.073 868 3HG1 VAL 76 3HG1 VAL 76 -12.570 8.245 -4.692 869 1HG2 VAL 76 1HG2 VAL 76 -8.876 7.787 -4.868 870 2HG2 VAL 76 2HG2 VAL 76 -10.420 6.949 -5.014 871 3HG2 VAL 76 3HG2 VAL 76 -9.834 7.447 -3.427 872 H GLY 77 H GLY 77 -9.164 8.029 -7.641 873 1HA GLY 77 1HA GLY 77 -7.355 9.395 -8.906 874 2HA GLY 77 2HA GLY 77 -6.760 9.682 -7.280 875 H MET 78 H MET 78 -7.860 6.755 -6.831 876 HA MET 78 HA MET 78 -5.321 5.502 -7.097 877 1HB MET 78 1HB MET 78 -8.018 4.226 -6.581 878 2HB MET 78 2HB MET 78 -6.452 3.466 -6.327 879 1HG MET 78 1HG MET 78 -5.930 5.170 -4.630 880 2HG MET 78 2HG MET 78 -7.536 5.859 -4.857 881 1HE MET 78 1HE MET 78 -5.474 2.775 -3.585 882 2HE MET 78 2HE MET 78 -6.471 2.082 -4.865 883 3HE MET 78 3HE MET 78 -6.757 1.634 -3.182 884 H ARG 79 H ARG 79 -4.471 4.825 -8.940 885 HA ARG 79 HA ARG 79 -6.295 4.192 -11.158 886 1HB ARG 79 1HB ARG 79 -3.435 5.146 -11.201 887 2HB ARG 79 2HB ARG 79 -4.340 4.666 -12.628 888 1HG ARG 79 1HG ARG 79 -5.994 6.467 -12.049 889 2HG ARG 79 2HG ARG 79 -4.836 7.020 -10.833 890 1HD ARG 79 1HD ARG 79 -3.125 7.155 -12.634 891 2HD ARG 79 2HD ARG 79 -4.392 6.790 -13.800 892 HE ARG 79 HE ARG 79 -5.172 9.002 -12.242 893 1HH1 ARG 79 1HH1 ARG 79 -2.906 8.093 -14.758 894 2HH1 ARG 79 2HH1 ARG 79 -2.797 9.706 -15.411 895 1HH2 ARG 79 1HH2 ARG 79 -5.040 11.096 -13.081 896 2HH2 ARG 79 2HH2 ARG 79 -4.010 11.430 -14.442 897 H LEU 80 H LEU 80 -5.472 2.664 -12.764 898 HA LEU 80 HA LEU 80 -4.614 0.220 -11.497 899 1HB LEU 80 1HB LEU 80 -5.077 0.845 -14.421 900 2HB LEU 80 2HB LEU 80 -4.770 -0.748 -13.769 901 HG LEU 80 HG LEU 80 -7.058 -0.756 -14.113 902 1HD1 LEU 80 1HD1 LEU 80 -6.602 -1.520 -11.884 903 2HD1 LEU 80 2HD1 LEU 80 -8.136 -0.649 -11.906 904 3HD1 LEU 80 3HD1 LEU 80 -6.689 0.129 -11.263 905 1HD2 LEU 80 1HD2 LEU 80 -7.220 1.669 -14.627 906 2HD2 LEU 80 2HD2 LEU 80 -7.333 1.981 -12.893 907 3HD2 LEU 80 3HD2 LEU 80 -8.579 1.033 -13.700 908 H GLU 81 H GLU 81 -3.232 2.852 -13.147 909 HA GLU 81 HA GLU 81 -0.886 1.679 -14.184 910 1HB GLU 81 1HB GLU 81 -1.275 4.525 -13.243 911 2HB GLU 81 2HB GLU 81 -0.050 3.951 -14.363 912 1HG GLU 81 1HG GLU 81 -1.793 3.373 -15.969 913 2HG GLU 81 2HG GLU 81 -3.018 3.969 -14.849 914 H ALA 82 H ALA 82 -1.842 2.394 -10.990 915 HA ALA 82 HA ALA 82 0.908 2.542 -10.011 916 1HB ALA 82 1HB ALA 82 -0.093 3.113 -7.855 917 2HB ALA 82 2HB ALA 82 -1.703 2.860 -8.530 918 3HB ALA 82 3HB ALA 82 -0.688 4.171 -9.135 919 H VAL 83 H VAL 83 -1.111 0.169 -10.880 920 HA VAL 83 HA VAL 83 -0.490 -1.591 -8.616 921 HB VAL 83 HB VAL 83 -2.284 -2.170 -10.978 922 1HG1 VAL 83 1HG1 VAL 83 -3.111 -4.005 -9.573 923 2HG1 VAL 83 2HG1 VAL 83 -1.901 -3.599 -8.352 924 3HG1 VAL 83 3HG1 VAL 83 -1.393 -4.169 -9.943 925 1HG2 VAL 83 1HG2 VAL 83 -3.039 -1.315 -8.193 926 2HG2 VAL 83 2HG2 VAL 83 -4.156 -1.793 -9.474 927 3HG2 VAL 83 3HG2 VAL 83 -3.180 -0.332 -9.651 928 H ARG 84 H ARG 84 1.434 -2.545 -8.830 929 HA ARG 84 HA ARG 84 2.458 -3.283 -11.413 930 1HB ARG 84 1HB ARG 84 3.440 -3.724 -8.604 931 2HB ARG 84 2HB ARG 84 4.228 -4.469 -9.989 932 1HG ARG 84 1HG ARG 84 4.677 -2.281 -10.936 933 2HG ARG 84 2HG ARG 84 3.841 -1.512 -9.584 934 1HD ARG 84 1HD ARG 84 5.471 -2.327 -8.033 935 2HD ARG 84 2HD ARG 84 6.238 -3.308 -9.281 936 HE ARG 84 HE ARG 84 6.846 -1.161 -10.372 937 1HH1 ARG 84 1HH1 ARG 84 6.075 -1.210 -6.961 938 2HH1 ARG 84 2HH1 ARG 84 7.086 0.140 -6.568 939 1HH2 ARG 84 1HH2 ARG 84 8.203 0.612 -9.877 940 2HH2 ARG 84 2HH2 ARG 84 8.285 1.200 -8.237 941 H ALA 85 H ALA 85 0.814 -4.639 -12.189 942 HA ALA 85 HA ALA 85 -0.020 -7.058 -11.106 943 1HB ALA 85 1HB ALA 85 0.555 -6.457 -14.008 944 2HB ALA 85 2HB ALA 85 -0.949 -6.097 -13.160 945 3HB ALA 85 3HB ALA 85 -0.451 -7.772 -13.401 946 H ASP 86 H ASP 86 3.034 -6.121 -12.379 947 HA ASP 86 HA ASP 86 4.340 -8.504 -12.895 948 1HB ASP 86 1HB ASP 86 5.346 -6.311 -13.252 949 2HB ASP 86 2HB ASP 86 5.363 -6.008 -11.520 950 H ARG 87 H ARG 87 3.241 -7.210 -9.895 951 HA ARG 87 HA ARG 87 3.132 -7.986 -7.786 952 1HB ARG 87 1HB ARG 87 2.698 -10.194 -9.216 953 2HB ARG 87 2HB ARG 87 4.219 -10.671 -8.474 954 1HG ARG 87 1HG ARG 87 1.813 -9.721 -6.932 955 2HG ARG 87 2HG ARG 87 2.190 -11.415 -7.243 956 1HD ARG 87 1HD ARG 87 4.162 -9.585 -5.911 957 2HD ARG 87 2HD ARG 87 2.899 -10.402 -4.992 958 HE ARG 87 HE ARG 87 3.951 -12.481 -6.213 959 1HH1 ARG 87 1HH1 ARG 87 5.621 -9.741 -4.782 960 2HH1 ARG 87 2HH1 ARG 87 7.015 -10.677 -4.331 961 1HH2 ARG 87 1HH2 ARG 87 5.779 -13.707 -5.566 962 2HH2 ARG 87 2HH2 ARG 87 7.109 -12.909 -4.773 963 H MET 88 H MET 88 4.706 -6.643 -7.063 964 HA MET 88 HA MET 88 7.431 -7.682 -6.834 965 1HB MET 88 1HB MET 88 6.212 -4.956 -6.415 966 2HB MET 88 2HB MET 88 7.837 -5.339 -5.863 967 1HG MET 88 1HG MET 88 6.981 -5.720 -8.710 968 2HG MET 88 2HG MET 88 7.610 -4.188 -8.107 969 1HE MET 88 1HE MET 88 10.067 -3.759 -7.380 970 2HE MET 88 2HE MET 88 11.252 -5.038 -7.116 971 3HE MET 88 3HE MET 88 9.828 -4.927 -6.081 972 H ARG 89 H ARG 89 8.404 -6.802 -4.596 973 HA ARG 89 HA ARG 89 6.540 -7.590 -2.459 974 1HB ARG 89 1HB ARG 89 9.332 -8.287 -2.999 975 2HB ARG 89 2HB ARG 89 9.055 -7.744 -1.350 976 1HG ARG 89 1HG ARG 89 7.646 -10.002 -2.754 977 2HG ARG 89 2HG ARG 89 8.853 -10.139 -1.472 978 1HD ARG 89 1HD ARG 89 6.066 -9.014 -1.283 979 2HD ARG 89 2HD ARG 89 6.724 -10.423 -0.451 980 HE ARG 89 HE ARG 89 7.772 -7.721 0.087 981 1HH1 ARG 89 1HH1 ARG 89 6.283 -10.683 1.180 982 2HH1 ARG 89 2HH1 ARG 89 6.455 -10.307 2.866 983 1HH2 ARG 89 1HH2 ARG 89 7.988 -7.201 2.298 984 2HH2 ARG 89 2HH2 ARG 89 7.419 -8.315 3.502 985 H GLY 90 H GLY 90 7.233 -4.950 -3.797 986 1HA GLY 90 1HA GLY 90 6.703 -3.065 -2.069 987 2HA GLY 90 2HA GLY 90 8.337 -3.454 -1.544 988 H GLY 91 H GLY 91 8.790 -1.210 -2.089 989 1HA GLY 91 1HA GLY 91 10.223 -0.023 -3.543 990 2HA GLY 91 2HA GLY 91 9.653 -1.017 -4.876 991 H ARG 92 H ARG 92 9.788 1.996 -4.185 992 HA ARG 92 HA ARG 92 7.107 2.922 -4.079 993 1HB ARG 92 1HB ARG 92 9.571 4.379 -5.061 994 2HB ARG 92 2HB ARG 92 8.047 5.121 -4.590 995 1HG ARG 92 1HG ARG 92 8.373 4.279 -2.299 996 2HG ARG 92 2HG ARG 92 9.933 3.615 -2.789 997 1HD ARG 92 1HD ARG 92 10.326 5.710 -1.711 998 2HD ARG 92 2HD ARG 92 10.631 5.919 -3.434 999 HE ARG 92 HE ARG 92 7.958 6.606 -2.802 1000 1HH1 ARG 92 1HH1 ARG 92 11.237 7.788 -2.541 1001 2HH1 ARG 92 2HH1 ARG 92 10.770 9.455 -2.474 1002 1HH2 ARG 92 1HH2 ARG 92 7.336 8.814 -2.741 1003 2HH2 ARG 92 2HH2 ARG 92 8.555 10.047 -2.594 1004 H ASN 93 H ASN 93 5.889 3.927 -5.744 1005 HA ASN 93 HA ASN 93 5.805 2.380 -8.102 1006 1HB ASN 93 1HB ASN 93 3.819 3.422 -7.022 1007 2HB ASN 93 2HB ASN 93 4.396 5.001 -7.543 1008 1HD2 ASN 93 1HD2 ASN 93 2.538 5.359 -8.759 1009 2HD2 ASN 93 2HD2 ASN 93 2.253 4.547 -10.258 1010 H LYS 94 H LYS 94 6.005 3.054 -10.283 1011 HA LYS 94 HA LYS 94 8.437 4.389 -10.829 1012 1HB LYS 94 1HB LYS 94 7.465 2.535 -12.178 1013 2HB LYS 94 2HB LYS 94 6.208 3.624 -12.732 1014 1HG LYS 94 1HG LYS 94 9.026 4.430 -13.187 1015 2HG LYS 94 2HG LYS 94 8.373 3.111 -14.159 1016 1HD LYS 94 1HD LYS 94 6.545 4.550 -14.899 1017 2HD LYS 94 2HD LYS 94 7.166 5.867 -13.901 1018 1HE LYS 94 1HE LYS 94 7.829 6.174 -16.218 1019 2HE LYS 94 2HE LYS 94 9.241 5.868 -15.207 1020 1HZ LYS 94 1HZ LYS 94 9.462 4.590 -17.176 1021 2HZ LYS 94 2HZ LYS 94 7.896 3.963 -17.047 1022 3HZ LYS 94 3HZ LYS 94 9.088 3.502 -15.936 1023 H PHE 95 H PHE 95 5.215 5.487 -10.499 1024 HA PHE 95 HA PHE 95 5.480 7.862 -12.099 1025 1HB PHE 95 1HB PHE 95 3.380 6.826 -10.212 1026 2HB PHE 95 2HB PHE 95 3.279 8.444 -10.897 1027 HD1 PHE 95 HD1 PHE 95 1.029 7.188 -11.555 1028 HD2 PHE 95 HD2 PHE 95 4.850 6.449 -13.277 1029 HE1 PHE 95 HE1 PHE 95 -0.054 6.290 -13.570 1030 HE2 PHE 95 HE2 PHE 95 3.771 5.545 -15.292 1031 HZ PHE 95 HZ PHE 95 1.317 5.466 -15.441 1032 H GLY 96 H GLY 96 7.533 7.676 -10.173 1033 1HA GLY 96 1HA GLY 96 7.225 8.993 -7.776 1034 2HA GLY 96 2HA GLY 96 8.681 9.060 -8.752 1035 HA PRO 97 HA PRO 97 8.210 13.293 -10.010 1036 1HB PRO 97 1HB PRO 97 6.878 12.618 -12.594 1037 2HB PRO 97 2HB PRO 97 8.259 13.677 -12.281 1038 1HG PRO 97 1HG PRO 97 8.635 11.258 -13.303 1039 2HG PRO 97 2HG PRO 97 9.741 11.898 -12.072 1040 1HD PRO 97 1HD PRO 97 7.575 9.861 -11.803 1041 2HD PRO 97 2HD PRO 97 9.157 9.941 -11.002 1042 H MET 98 H MET 98 5.259 11.717 -11.354 1043 HA MET 98 HA MET 98 3.682 14.030 -10.833 1044 1HB MET 98 1HB MET 98 1.752 12.687 -11.508 1045 2HB MET 98 2HB MET 98 3.080 12.521 -12.638 1046 1HG MET 98 1HG MET 98 2.242 10.392 -12.448 1047 2HG MET 98 2HG MET 98 3.654 10.395 -11.403 1048 1HE MET 98 1HE MET 98 0.102 11.950 -10.663 1049 2HE MET 98 2HE MET 98 -0.696 10.598 -9.858 1050 3HE MET 98 3HE MET 98 -0.266 10.480 -11.564 1051 H TYR 99 H TYR 99 4.439 11.167 -9.042 1052 HA TYR 99 HA TYR 99 2.393 11.340 -7.095 1053 1HB TYR 99 1HB TYR 99 3.791 9.329 -7.545 1054 2HB TYR 99 2HB TYR 99 5.169 10.162 -6.841 1055 HD1 TYR 99 HD1 TYR 99 5.644 9.842 -4.608 1056 HD2 TYR 99 HD2 TYR 99 1.689 9.111 -5.995 1057 HE1 TYR 99 HE1 TYR 99 5.039 8.956 -2.397 1058 HE2 TYR 99 HE2 TYR 99 1.071 8.230 -3.791 1059 HH TYR 99 HH TYR 99 3.090 8.566 -1.042 1060 H LYS 100 H LYS 100 5.727 12.534 -7.218 1061 HA LYS 100 HA LYS 100 5.733 13.780 -4.688 1062 1HB LYS 100 1HB LYS 100 7.323 14.278 -7.197 1063 2HB LYS 100 2HB LYS 100 7.567 15.222 -5.736 1064 1HG LYS 100 1HG LYS 100 8.123 13.175 -4.513 1065 2HG LYS 100 2HG LYS 100 7.900 12.242 -5.994 1066 1HD LYS 100 1HD LYS 100 10.273 12.734 -5.544 1067 2HD LYS 100 2HD LYS 100 9.716 13.439 -7.062 1068 1HE LYS 100 1HE LYS 100 11.135 14.983 -5.768 1069 2HE LYS 100 2HE LYS 100 9.509 15.614 -6.020 1070 1HZ LYS 100 1HZ LYS 100 10.397 14.246 -3.537 1071 2HZ LYS 100 2HZ LYS 100 8.923 15.049 -3.790 1072 3HZ LYS 100 3HZ LYS 100 10.368 15.930 -3.737 1073 H ARG 101 H ARG 101 4.918 14.979 -7.918 1074 HA ARG 101 HA ARG 101 4.493 17.652 -7.114 1075 1HB ARG 101 1HB ARG 101 3.580 16.091 -9.516 1076 2HB ARG 101 2HB ARG 101 3.152 17.782 -9.281 1077 1HG ARG 101 1HG ARG 101 5.579 18.305 -9.130 1078 2HG ARG 101 2HG ARG 101 5.915 16.627 -9.560 1079 1HD ARG 101 1HD ARG 101 4.821 16.891 -11.677 1080 2HD ARG 101 2HD ARG 101 4.266 18.508 -11.236 1081 HE ARG 101 HE ARG 101 7.052 18.492 -11.049 1082 1HH1 ARG 101 1HH1 ARG 101 4.622 18.083 -13.532 1083 2HH1 ARG 101 2HH1 ARG 101 5.603 18.787 -14.786 1084 1HH2 ARG 101 1HH2 ARG 101 8.338 19.427 -12.681 1085 2HH2 ARG 101 2HH2 ARG 101 7.703 19.593 -14.292 1086 H ASP 102 H ASP 102 2.231 14.935 -7.555 1087 HA ASP 102 HA ASP 102 -0.119 16.359 -7.011 1088 1HB ASP 102 1HB ASP 102 -0.052 14.030 -7.903 1089 2HB ASP 102 2HB ASP 102 0.437 13.467 -6.308 1090 H ARG 103 H ARG 103 2.080 14.623 -4.855 1091 HA ARG 103 HA ARG 103 0.700 15.089 -2.452 1092 1HB ARG 103 1HB ARG 103 2.569 13.450 -2.797 1093 2HB ARG 103 2HB ARG 103 3.690 14.804 -2.806 1094 1HG ARG 103 1HG ARG 103 2.949 15.375 -0.515 1095 2HG ARG 103 2HG ARG 103 1.941 13.927 -0.518 1096 1HD ARG 103 1HD ARG 103 3.974 13.391 0.605 1097 2HD ARG 103 2HD ARG 103 4.002 12.588 -0.964 1098 HE ARG 103 HE ARG 103 5.256 15.070 -1.256 1099 1HH1 ARG 103 1HH1 ARG 103 5.812 12.029 0.411 1100 2HH1 ARG 103 2HH1 ARG 103 7.542 12.197 0.404 1101 1HH2 ARG 103 1HH2 ARG 103 7.518 15.291 -1.256 1102 2HH2 ARG 103 2HH2 ARG 103 8.517 14.074 -0.516 1103 H ALA 104 H ALA 104 3.075 16.987 -4.218 1104 HA ALA 104 HA ALA 104 3.503 18.935 -2.190 1105 1HB ALA 104 1HB ALA 104 5.105 18.553 -4.001 1106 2HB ALA 104 2HB ALA 104 4.589 20.238 -3.940 1107 3HB ALA 104 3HB ALA 104 3.929 19.158 -5.168 1108 H LEU 105 H LEU 105 1.308 18.685 -4.929 1109 HA LEU 105 HA LEU 105 0.223 21.305 -4.620 1110 1HB LEU 105 1HB LEU 105 -0.972 18.914 -6.024 1111 2HB LEU 105 2HB LEU 105 -1.442 20.590 -6.243 1112 HG LEU 105 HG LEU 105 1.236 19.407 -6.983 1113 1HD1 LEU 105 1HD1 LEU 105 -0.587 18.680 -8.450 1114 2HD1 LEU 105 2HD1 LEU 105 0.553 19.741 -9.279 1115 3HD1 LEU 105 3HD1 LEU 105 -1.009 20.367 -8.746 1116 1HD2 LEU 105 1HD2 LEU 105 1.687 21.568 -8.010 1117 2HD2 LEU 105 2HD2 LEU 105 1.415 21.730 -6.274 1118 3HD2 LEU 105 3HD2 LEU 105 0.146 22.182 -7.412 1119 H LYS 106 H LYS 106 -0.488 18.146 -3.348 1120 HA LYS 106 HA LYS 106 -2.976 18.750 -2.138 1121 1HB LYS 106 1HB LYS 106 -2.285 16.453 -2.416 1122 2HB LYS 106 2HB LYS 106 -0.835 16.722 -1.467 1123 1HG LYS 106 1HG LYS 106 -3.516 17.102 -0.207 1124 2HG LYS 106 2HG LYS 106 -2.869 15.477 -0.435 1125 1HD LYS 106 1HD LYS 106 -0.823 16.178 0.790 1126 2HD LYS 106 2HD LYS 106 -1.583 17.738 1.099 1127 1HE LYS 106 1HE LYS 106 -2.560 15.044 2.034 1128 2HE LYS 106 2HE LYS 106 -1.811 16.288 3.028 1129 1HZ LYS 106 1HZ LYS 106 -3.695 17.748 2.505 1130 2HZ LYS 106 2HZ LYS 106 -4.181 16.327 3.304 1131 3HZ LYS 106 3HZ LYS 106 -4.426 16.486 1.632 1132 H GLN 107 H GLN 107 0.376 18.995 -1.034 1133 HA GLN 107 HA GLN 107 -0.311 19.883 1.586 1134 1HB GLN 107 1HB GLN 107 1.744 18.787 1.469 1135 2HB GLN 107 2HB GLN 107 2.212 19.617 -0.009 1136 1HG GLN 107 1HG GLN 107 2.552 21.656 1.209 1137 2HG GLN 107 2HG GLN 107 2.022 20.893 2.706 1138 1HE2 GLN 107 1HE2 GLN 107 4.571 22.167 2.017 1139 2HE2 GLN 107 2HE2 GLN 107 5.794 20.974 2.306 1140 H GLN 108 H GLN 108 0.351 21.368 -1.474 1141 HA GLN 108 HA GLN 108 0.198 23.470 -2.265 1142 1HB GLN 108 1HB GLN 108 -1.167 23.851 0.362 1143 2HB GLN 108 2HB GLN 108 -0.924 25.197 -0.736 1144 1HG GLN 108 1HG GLN 108 -2.329 22.662 -1.532 1145 2HG GLN 108 2HG GLN 108 -3.169 24.048 -0.838 1146 1HE2 GLN 108 1HE2 GLN 108 -1.454 25.993 -2.137 1147 2HE2 GLN 108 2HE2 GLN 108 -1.925 26.013 -3.803 1148 H LYS 109 H LYS 109 2.199 24.076 -2.544 1149 HA LYS 109 HA LYS 109 4.020 24.729 -0.433 1150 1HB LYS 109 1HB LYS 109 4.156 25.293 -3.405 1151 2HB LYS 109 2HB LYS 109 5.481 25.531 -2.275 1152 1HG LYS 109 1HG LYS 109 5.570 23.158 -1.826 1153 2HG LYS 109 2HG LYS 109 4.171 22.886 -2.869 1154 1HD LYS 109 1HD LYS 109 5.412 23.655 -4.796 1155 2HD LYS 109 2HD LYS 109 6.794 24.067 -3.777 1156 1HE LYS 109 1HE LYS 109 7.096 21.731 -3.201 1157 2HE LYS 109 2HE LYS 109 5.668 21.294 -4.140 1158 1HZ LYS 109 1HZ LYS 109 8.132 22.526 -5.254 1159 2HZ LYS 109 2HZ LYS 109 6.774 22.029 -6.138 1160 3HZ LYS 109 3HZ LYS 109 7.740 20.880 -5.344 1161 H LYS 110 H LYS 110 1.833 26.424 -2.514 1162 HA LYS 110 HA LYS 110 2.422 28.923 -1.080 1163 1HB LYS 110 1HB LYS 110 1.545 30.074 -3.151 1164 2HB LYS 110 2HB LYS 110 3.091 29.260 -3.347 1165 1HG LYS 110 1HG LYS 110 2.074 27.445 -4.511 1166 2HG LYS 110 2HG LYS 110 0.456 28.040 -4.136 1167 1HD LYS 110 1HD LYS 110 2.478 29.527 -5.809 1168 2HD LYS 110 2HD LYS 110 1.186 28.518 -6.465 1169 1HE LYS 110 1HE LYS 110 -0.455 29.949 -5.269 1170 2HE LYS 110 2HE LYS 110 0.873 31.000 -4.783 1171 1HZ LYS 110 1HZ LYS 110 0.253 30.390 -7.618 1172 2HZ LYS 110 2HZ LYS 110 1.268 31.610 -7.014 1173 3HZ LYS 110 3HZ LYS 110 -0.410 31.714 -6.790 1174 H ALA 111 H ALA 111 0.655 30.152 -0.434 1175 HA ALA 111 HA ALA 111 -2.007 29.019 -0.920 1176 1HB ALA 111 1HB ALA 111 -2.625 29.349 1.421 1177 2HB ALA 111 2HB ALA 111 -0.981 29.870 1.789 1178 3HB ALA 111 3HB ALA 111 -1.285 28.210 1.273 Start of MODEL 10 1 1H5* G 1 1H5* G 1 29.904 2.692 -1.188 2 2H5* G 1 2H5* G 1 29.830 1.116 -0.379 3 H4* G 1 H4* G 1 29.698 2.850 1.253 4 H3* G 1 H3* G 1 27.942 0.796 1.284 5 H1* G 1 H1* G 1 26.728 4.449 1.706 6 H8 G 1 H8 G 1 26.312 3.270 -1.969 7 H1 G 1 H1 G 1 22.618 8.195 -0.143 8 1H2 G 1 1H2 G 1 22.974 8.661 1.985 9 2H2 G 1 2H2 G 1 24.124 7.766 2.954 10 H5T G 1 H5T G 1 28.328 1.957 -2.342 11 1H2* G 1 1H2* G 1 26.104 1.871 0.195 12 2H2* G 1 2H2* G 1 25.748 2.273 1.870 13 1H5* G 2 1H5* G 2 26.360 4.657 3.166 14 2H5* G 2 2H5* G 2 27.250 4.204 4.633 15 H4* G 2 H4* G 2 25.786 5.575 5.618 16 H3* G 2 H3* G 2 25.000 3.102 6.216 17 H1* G 2 H1* G 2 22.342 5.542 4.716 18 H8 G 2 H8 G 2 23.696 2.920 2.214 19 H1 G 2 H1 G 2 19.201 6.907 -0.045 20 1H2 G 2 1H2 G 2 18.670 8.399 1.494 21 2H2 G 2 2H2 G 2 19.420 8.411 3.075 22 1H2* G 2 1H2* G 2 23.480 2.738 4.395 23 2H2* G 2 2H2* G 2 22.377 3.341 5.624 24 1H5* C 3 1H5* C 3 22.023 6.812 7.401 25 2H5* C 3 2H5* C 3 21.320 6.319 8.955 26 H4* C 3 H4* C 3 19.774 7.630 7.587 27 H3* C 3 H3* C 3 19.047 5.433 9.025 28 H1* C 3 H1* C 3 17.846 6.061 5.425 29 1H4 C 3 1H4 C 3 19.257 2.073 0.720 30 2H4 C 3 2H4 C 3 20.426 1.213 1.700 31 H5 C 3 H5 C 3 20.932 1.835 3.988 32 H6 C 3 H6 C 3 20.425 3.403 5.787 33 1H2* C 3 1H2* C 3 18.974 3.859 7.226 34 2H2* C 3 2H2* C 3 17.327 4.469 7.166 35 1H5* T 4 1H5* T 4 16.158 8.379 7.144 36 2H5* T 4 2H5* T 4 15.071 8.875 8.458 37 H4* T 4 H4* T 4 14.014 9.513 6.466 38 H3* T 4 H3* T 4 12.638 7.907 8.141 39 1H2* T 4 1H2* T 4 13.052 5.811 7.060 40 2H2* T 4 2H2* T 4 11.572 6.297 6.243 41 H1* T 4 H1* T 4 12.737 7.162 4.340 42 H3 T 4 H3 T 4 14.286 3.735 1.961 43 1H5M T 4 1H5M T 4 17.249 3.214 6.030 44 2H5M T 4 2H5M T 4 15.803 2.792 6.977 45 3H5M T 4 3H5M T 4 16.293 1.775 5.601 46 H6 T 4 H6 T 4 14.943 5.092 6.488 47 1H5* C 5 1H5* C 5 10.986 9.549 4.660 48 2H5* C 5 2H5* C 5 9.432 10.346 4.336 49 H4* C 5 H4* C 5 9.993 9.153 2.393 50 H3* C 5 H3* C 5 7.635 8.465 3.771 51 H1* C 5 H1* C 5 10.054 6.137 1.821 52 1H4 C 5 1H4 C 5 12.124 0.919 4.770 53 2H4 C 5 2H4 C 5 11.919 1.651 6.346 54 H5 C 5 H5 C 5 11.015 3.873 6.654 55 H6 C 5 H6 C 5 10.151 5.850 5.521 56 1H2* C 5 1H2* C 5 8.091 6.191 4.156 57 2H2* C 5 2H2* C 5 7.768 6.024 2.434 58 1H5* A 6 1H5* A 6 7.247 8.366 -0.878 59 2H5* A 6 2H5* A 6 5.642 8.791 -1.509 60 H4* A 6 H4* A 6 6.325 6.711 -2.448 61 H3* A 6 H3* A 6 3.897 6.932 -1.037 62 H1* A 6 H1* A 6 6.304 3.947 -1.294 63 H8 A 6 H8 A 6 6.048 5.308 2.342 64 1H6 A 6 1H6 A 6 8.831 0.023 3.968 65 2H6 A 6 2H6 A 6 8.163 1.535 4.545 66 H2 A 6 H2 A 6 8.354 0.031 -0.498 67 1H2* A 6 1H2* A 6 4.339 5.311 0.617 68 2H2* A 6 2H2* A 6 3.987 4.189 -0.690 69 1H5* G 7 1H5* G 7 5.453 3.502 -3.800 70 2H5* G 7 2H5* G 7 4.161 3.553 -5.019 71 H4* G 7 H4* G 7 5.210 1.453 -5.235 72 H3* G 7 H3* G 7 2.551 1.508 -4.890 73 H1* G 7 H1* G 7 4.695 -0.899 -2.743 74 H8 G 7 H8 G 7 3.691 2.310 -0.798 75 H1 G 7 H1 G 7 6.089 -2.520 2.687 76 1H2 G 7 1H2 G 7 6.649 -4.192 1.360 77 2H2 G 7 2H2 G 7 6.426 -4.118 -0.373 78 1H2* G 7 1H2* G 7 2.487 1.195 -2.516 79 2H2* G 7 2H2* G 7 2.362 -0.471 -3.063 80 1H5* G 8 1H5* G 8 5.427 -2.663 -4.070 81 2H5* G 8 2H5* G 8 4.825 -2.802 -5.737 82 H4* G 8 H4* G 8 5.414 -4.973 -5.194 83 H3* G 8 H3* G 8 2.824 -4.594 -5.774 84 H1* G 8 H1* G 8 3.625 -6.324 -2.207 85 H8 G 8 H8 G 8 2.472 -2.662 -2.605 86 H1 G 8 H1 G 8 3.328 -4.675 3.433 87 1H2 G 8 1H2 G 8 4.146 -6.714 3.435 88 2H2 G 8 2H2 G 8 4.487 -7.589 1.961 89 1H2* G 8 1H2* G 8 1.783 -4.497 -3.676 90 2H2* G 8 2H2* G 8 1.914 -6.249 -3.735 91 1H5* G 9 1H5* G 9 3.876 -7.433 -3.382 92 2H5* G 9 2H5* G 9 4.202 -9.004 -4.145 93 H4* G 9 H4* G 9 3.992 -9.772 -2.066 94 H3* G 9 H3* G 9 1.582 -10.181 -3.361 95 H1* G 9 H1* G 9 2.001 -9.068 0.299 96 H8 G 9 H8 G 9 0.642 -6.197 -1.929 97 H1 G 9 H1 G 9 0.142 -5.326 4.414 98 1H2 G 9 1H2 G 9 0.969 -7.065 5.484 99 2H2 G 9 2H2 G 9 1.647 -8.441 4.642 100 1H2* G 9 1H2* G 9 0.287 -8.574 -2.188 101 2H2* G 9 2H2* G 9 0.173 -9.897 -1.036 102 1H5* C 10 1H5* C 10 3.109 -12.364 0.115 103 2H5* C 10 2H5* C 10 2.794 -14.108 0.241 104 H4* C 10 H4* C 10 3.251 -13.211 2.413 105 H3* C 10 H3* C 10 1.136 -14.832 2.001 106 H1* C 10 H1* C 10 0.716 -11.538 4.022 107 1H4 C 10 1H4 C 10 -3.063 -7.001 1.746 108 2H4 C 10 2H4 C 10 -2.753 -7.478 0.089 109 H5 C 10 H5 C 10 -1.339 -9.361 -0.493 110 H6 C 10 H6 C 10 0.043 -11.164 0.393 111 1H2* C 10 1H2* C 10 -0.579 -13.178 1.804 112 2H2* C 10 2H2* C 10 -0.620 -13.450 3.541 113 1H5* C 11 1H5* C 11 1.266 -12.094 6.284 114 2H5* C 11 2H5* C 11 1.896 -13.633 6.907 115 H4* C 11 H4* C 11 0.994 -12.545 8.760 116 H3* C 11 H3* C 11 0.003 -14.978 8.219 117 H1* C 11 H1* C 11 -2.592 -11.992 8.703 118 1H4 C 11 1H4 C 11 -5.511 -10.219 3.374 119 2H4 C 11 2H4 C 11 -4.729 -11.491 2.461 120 H5 C 11 H5 C 11 -3.041 -12.946 3.410 121 H6 C 11 H6 C 11 -1.832 -13.530 5.440 122 1H2* C 11 1H2* C 11 -1.984 -14.444 7.057 123 2H2* C 11 2H2* C 11 -2.619 -14.324 8.692 124 1H5* A 12 1H5* A 12 -2.547 -11.795 10.760 125 2H5* A 12 2H5* A 12 -1.902 -12.595 12.207 126 H4* A 12 H4* A 12 -3.732 -11.676 13.128 127 H3* A 12 H3* A 12 -4.128 -14.314 12.926 128 H1* A 12 H1* A 12 -6.912 -11.916 11.425 129 H8 A 12 H8 A 12 -4.813 -13.993 8.978 130 1H6 A 12 1H6 A 12 -7.870 -11.009 4.507 131 2H6 A 12 2H6 A 12 -6.737 -12.293 4.869 132 H2 A 12 H2 A 12 -8.982 -9.138 8.435 133 1H2* A 12 1H2* A 12 -5.333 -14.437 10.886 134 2H2* A 12 2H2* A 12 -6.686 -14.181 11.978 135 1H5* C 13 1H5* C 13 -6.783 -11.151 13.849 136 2H5* C 13 2H5* C 13 -7.736 -11.241 15.345 137 H4* C 13 H4* C 13 -8.671 -9.577 13.911 138 H3* C 13 H3* C 13 -10.241 -11.518 15.019 139 H1* C 13 H1* C 13 -10.609 -10.302 11.406 140 1H4 C 13 1H4 C 13 -10.045 -14.261 6.513 141 2H4 C 13 2H4 C 13 -9.082 -15.394 7.439 142 H5 C 13 H5 C 13 -8.506 -15.031 9.770 143 H6 C 13 H6 C 13 -8.764 -13.522 11.673 144 1H2* C 13 1H2* C 13 -10.522 -12.871 13.067 145 2H2* C 13 2H2* C 13 -11.871 -11.761 12.868 146 1H5* A 14 1H5* A 14 -12.281 -8.457 12.487 147 2H5* A 14 2H5* A 14 -12.896 -7.323 13.706 148 H4* A 14 H4* A 14 -14.307 -6.761 12.069 149 H3* A 14 H3* A 14 -15.697 -8.243 13.810 150 H1* A 14 H1* A 14 -15.827 -9.250 9.999 151 H8 A 14 H8 A 14 -13.491 -11.375 12.253 152 1H6 A 14 1H6 A 14 -13.000 -15.109 7.347 153 2H6 A 14 2H6 A 14 -12.546 -14.861 9.019 154 H2 A 14 H2 A 14 -15.562 -11.612 6.180 155 1H2* A 14 1H2* A 14 -15.506 -10.389 12.790 156 2H2* A 14 2H2* A 14 -16.961 -9.818 11.983 157 1H5* G 15 1H5* G 15 -17.285 -6.960 9.770 158 2H5* G 15 2H5* G 15 -18.517 -5.781 10.261 159 H4* G 15 H4* G 15 -19.028 -6.171 8.050 160 H3* G 15 H3* G 15 -20.985 -6.843 9.727 161 H1* G 15 H1* G 15 -19.791 -9.634 7.157 162 H8 G 15 H8 G 15 -18.388 -9.755 10.769 163 H1 G 15 H1 G 15 -17.155 -14.871 7.088 164 1H2 G 15 1H2 G 15 -17.972 -14.561 5.064 165 2H2 G 15 2H2 G 15 -18.826 -13.102 4.615 166 H3T G 15 H3T G 15 -21.795 -7.689 7.350 167 1H2* G 15 1H2* G 15 -20.561 -9.156 10.036 168 2H2* G 15 2H2* G 15 -21.585 -9.263 8.613 169 1H5* C 16 1H5* C 16 -17.648 -22.258 3.447 170 2H5* C 16 2H5* C 16 -15.899 -22.303 3.164 171 H4* C 16 H4* C 16 -17.586 -20.857 1.701 172 H3* C 16 H3* C 16 -14.943 -21.063 1.581 173 H1* C 16 H1* C 16 -16.392 -17.546 2.637 174 1H4 C 16 1H4 C 16 -15.950 -15.957 8.752 175 2H4 C 16 2H4 C 16 -15.089 -17.431 9.131 176 H5 C 16 H5 C 16 -14.647 -19.153 7.496 177 H6 C 16 H6 C 16 -14.931 -19.811 5.166 178 H5T C 16 H5T C 16 -17.196 -20.520 4.960 179 1H2* C 16 1H2* C 16 -14.329 -19.631 3.396 180 2H2* C 16 2H2* C 16 -14.299 -18.475 2.072 181 1H5* T 17 1H5* T 17 -16.956 -17.543 -0.489 182 2H5* T 17 2H5* T 17 -16.269 -17.053 -2.052 183 H4* T 17 H4* T 17 -17.155 -15.136 -0.942 184 H3* T 17 H3* T 17 -14.564 -15.167 -1.900 185 1H2* T 17 1H2* T 17 -13.404 -15.150 0.163 186 2H2* T 17 2H2* T 17 -13.734 -13.426 0.049 187 H1* T 17 H1* T 17 -15.676 -13.556 1.441 188 H3 T 17 H3 T 17 -14.256 -14.101 5.629 189 1H5M T 17 1H5M T 17 -12.969 -18.643 3.624 190 2H5M T 17 2H5M T 17 -11.771 -17.808 4.642 191 3H5M T 17 3H5M T 17 -11.629 -17.748 2.868 192 H6 T 17 H6 T 17 -13.643 -16.651 1.646 193 1H5* G 18 1H5* G 18 -16.184 -12.137 1.269 194 2H5* G 18 2H5* G 18 -16.936 -11.663 -0.269 195 H4* G 18 H4* G 18 -17.436 -9.799 0.855 196 H3* G 18 H3* G 18 -15.427 -9.172 -0.763 197 H1* G 18 H1* G 18 -14.682 -8.606 3.186 198 H8 G 18 H8 G 18 -13.536 -11.726 1.203 199 H1 G 18 H1 G 18 -11.488 -11.337 7.273 200 1H2 G 18 1H2 G 18 -12.331 -9.550 8.245 201 2H2 G 18 2H2 G 18 -13.400 -8.447 7.407 202 1H2* G 18 1H2* G 18 -13.513 -9.452 0.586 203 2H2* G 18 2H2* G 18 -13.932 -7.842 1.156 204 1H5* T 19 1H5* T 19 -15.661 -7.188 2.605 205 2H5* T 19 2H5* T 19 -16.464 -5.606 2.657 206 H4* T 19 H4* T 19 -15.211 -5.322 4.478 207 H3* T 19 H3* T 19 -13.848 -4.144 2.312 208 1H2* T 19 1H2* T 19 -11.872 -5.414 2.401 209 2H2* T 19 2H2* T 19 -11.530 -4.438 3.824 210 H1* T 19 H1* T 19 -12.359 -6.072 5.342 211 H3 T 19 H3 T 19 -9.357 -9.362 5.486 212 1H5M T 19 1H5M T 19 -9.415 -9.234 0.643 213 2H5M T 19 2H5M T 19 -10.505 -10.579 1.057 214 3H5M T 19 3H5M T 19 -11.170 -9.063 0.405 215 H6 T 19 H6 T 19 -11.985 -7.530 1.949 216 1H5* G 20 1H5* G 20 -12.989 -3.681 6.332 217 2H5* G 20 2H5* G 20 -12.915 -2.138 7.207 218 H4* G 20 H4* G 20 -11.480 -3.509 8.381 219 H3* G 20 H3* G 20 -10.248 -1.385 6.995 220 H1* G 20 H1* G 20 -8.941 -4.889 7.783 221 H8 G 20 H8 G 20 -9.676 -4.672 3.981 222 H1 G 20 H1 G 20 -5.341 -9.053 5.799 223 1H2 G 20 1H2 G 20 -4.973 -8.886 7.970 224 2H2 G 20 2H2 G 20 -5.798 -7.707 8.965 225 1H2* G 20 1H2* G 20 -8.805 -2.695 5.653 226 2H2* G 20 2H2* G 20 -7.887 -2.816 7.149 227 1H5* G 21 1H5* G 21 -7.825 -4.266 9.393 228 2H5* G 21 2H5* G 21 -8.020 -3.337 10.894 229 H4* G 21 H4* G 21 -6.230 -4.509 11.531 230 H3* G 21 H3* G 21 -5.367 -2.035 10.945 231 H1* G 21 H1* G 21 -3.481 -5.109 9.486 232 H8 G 21 H8 G 21 -5.619 -3.210 6.881 233 H1 G 21 H1 G 21 -2.139 -8.112 4.628 234 1H2 G 21 1H2 G 21 -1.135 -9.155 6.290 235 2H2 G 21 2H2 G 21 -1.312 -8.643 7.954 236 1H2* G 21 1H2* G 21 -4.658 -2.413 8.689 237 2H2* G 21 2H2* G 21 -3.161 -2.745 9.550 238 1H5* C 22 1H5* C 22 -2.747 -5.105 12.102 239 2H5* C 22 2H5* C 22 -1.910 -5.067 13.668 240 H4* C 22 H4* C 22 -0.522 -6.453 12.560 241 H3* C 22 H3* C 22 0.559 -3.876 12.708 242 H1* C 22 H1* C 22 0.781 -6.301 9.623 243 1H4 C 22 1H4 C 22 -1.330 -3.913 4.145 244 2H4 C 22 2H4 C 22 -2.099 -2.568 4.954 245 H5 C 22 H5 C 22 -2.056 -2.272 7.348 246 H6 C 22 H6 C 22 -1.255 -3.198 9.458 247 1H2* C 22 1H2* C 22 0.736 -3.372 10.430 248 2H2* C 22 2H2* C 22 2.069 -4.519 10.452 249 1H5* C 23 1H5* C 23 1.835 -7.493 10.539 250 2H5* C 23 2H5* C 23 2.886 -8.054 11.856 251 H4* C 23 H4* C 23 3.472 -9.433 10.108 252 H3* C 23 H3* C 23 5.489 -7.939 10.992 253 H1* C 23 H1* C 23 4.785 -7.946 7.160 254 1H4 C 23 1H4 C 23 2.388 -2.795 4.387 255 2H4 C 23 2H4 C 23 1.916 -2.098 5.920 256 H5 C 23 H5 C 23 2.314 -3.197 8.045 257 H6 C 23 H6 C 23 3.225 -5.190 9.120 258 1H2* C 23 1H2* C 23 5.229 -6.065 9.512 259 2H2* C 23 2H2* C 23 6.416 -7.017 8.630 260 1H5* C 24 1H5* C 24 5.636 -9.080 6.182 261 2H5* C 24 2H5* C 24 6.577 -10.481 6.741 262 H4* C 24 H4* C 24 7.473 -10.251 4.680 263 H3* C 24 H3* C 24 9.268 -9.523 6.521 264 H1* C 24 H1* C 24 8.600 -7.098 3.532 265 1H4 C 24 1H4 C 24 5.415 -1.718 4.536 266 2H4 C 24 2H4 C 24 5.409 -1.983 6.264 267 H5 C 24 H5 C 24 6.310 -3.980 7.294 268 H6 C 24 H6 C 24 7.400 -6.122 6.877 269 1H2* C 24 1H2* C 24 8.848 -7.169 6.564 270 2H2* C 24 2H2* C 24 10.122 -7.237 5.355 271 1H5* T 25 1H5* T 25 8.995 -7.845 2.369 272 2H5* T 25 2H5* T 25 9.880 -9.320 1.931 273 H4* T 25 H4* T 25 10.046 -8.297 -0.049 274 H3* T 25 H3* T 25 12.438 -8.105 1.126 275 1H2* T 25 1H2* T 25 12.245 -5.959 2.148 276 2H2* T 25 2H2* T 25 12.883 -5.474 0.583 277 H1* T 25 H1* T 25 10.783 -4.787 -0.236 278 H3 T 25 H3 T 25 8.877 -1.417 1.994 279 1H5M T 25 1H5M T 25 9.267 -4.147 5.969 280 2H5M T 25 2H5M T 25 10.836 -4.912 5.620 281 3H5M T 25 3H5M T 25 10.754 -3.169 5.976 282 H6 T 25 H6 T 25 10.904 -5.508 3.376 283 1H5* G 26 1H5* G 26 11.675 -6.522 -2.658 284 2H5* G 26 2H5* G 26 12.549 -6.631 -4.201 285 H4* G 26 H4* G 26 11.644 -4.505 -4.224 286 H3* G 26 H3* G 26 14.457 -4.632 -4.021 287 H1* G 26 H1* G 26 12.000 -2.062 -2.583 288 H8 G 26 H8 G 26 13.533 -4.179 0.284 289 H1 G 26 H1 G 26 11.322 1.622 1.928 290 1H2 G 26 1H2 G 26 10.579 2.680 0.146 291 2H2 G 26 2H2 G 26 10.620 1.964 -1.449 292 1H2* G 26 1H2* G 26 14.680 -3.427 -2.004 293 2H2* G 26 2H2* G 26 14.365 -2.044 -3.042 294 1H5* A 27 1H5* A 27 11.960 -1.459 -5.591 295 2H5* A 27 2H5* A 27 12.288 -1.312 -7.330 296 H4* A 27 H4* A 27 11.059 0.575 -6.842 297 H3* A 27 H3* A 27 13.527 1.057 -7.789 298 H1* A 27 H1* A 27 12.417 2.896 -4.419 299 H8 A 27 H8 A 27 14.600 -0.309 -4.157 300 1H6 A 27 1H6 A 27 15.544 1.450 1.696 301 2H6 A 27 2H6 A 27 15.899 0.244 0.480 302 H2 A 27 H2 A 27 12.848 4.473 -0.248 303 1H2* A 27 1H2* A 27 14.727 1.568 -5.818 304 2H2* A 27 2H2* A 27 14.023 3.158 -6.077 305 1H5* G 28 1H5* G 28 11.848 4.136 -5.886 306 2H5* G 28 2H5* G 28 11.115 5.464 -6.810 307 H4* G 28 H4* G 28 11.682 6.678 -5.031 308 H3* G 28 H3* G 28 13.736 6.949 -6.937 309 H1* G 28 H1* G 28 14.013 6.783 -3.088 310 H8 G 28 H8 G 28 15.509 3.643 -4.811 311 H1 G 28 H1 G 28 17.421 4.734 1.220 312 1H2 G 28 1H2 G 28 16.504 6.585 1.982 313 2H2 G 28 2H2 G 28 15.417 7.555 1.013 314 1H2* G 28 1H2* G 28 15.503 6.065 -5.660 315 2H2* G 28 2H2* G 28 15.421 7.618 -4.840 316 1H5* C 29 1H5* C 29 13.103 9.538 -3.418 317 2H5* C 29 2H5* C 29 12.746 11.188 -3.973 318 H4* C 29 H4* C 29 13.418 11.489 -1.788 319 H3* C 29 H3* C 29 14.967 12.715 -3.610 320 H1* C 29 H1* C 29 16.690 10.514 -0.833 321 1H4 C 29 1H4 C 29 19.540 5.205 -2.753 322 2H4 C 29 2H4 C 29 18.889 5.356 -4.370 323 H5 C 29 H5 C 29 17.398 7.148 -5.023 324 H6 C 29 H6 C 29 16.257 9.166 -4.269 325 1H2* C 29 1H2* C 29 16.736 11.141 -3.800 326 2H2* C 29 2H2* C 29 17.356 12.087 -2.454 327 1H5* C 30 1H5* C 30 16.100 11.555 0.405 328 2H5* C 30 2H5* C 30 15.478 13.057 1.119 329 H4* C 30 H4* C 30 16.428 12.033 2.927 330 H3* C 30 H3* C 30 17.629 14.329 2.338 331 H1* C 30 H1* C 30 19.943 11.140 2.675 332 1H4 C 30 1H4 C 30 22.371 8.808 -2.672 333 2H4 C 30 2H4 C 30 21.224 9.681 -3.664 334 H5 C 30 H5 C 30 19.527 11.146 -2.734 335 H6 C 30 H6 C 30 18.605 12.066 -0.671 336 H3T C 30 H3T C 30 19.112 13.557 4.236 337 1H2* C 30 1H2* C 30 19.388 13.550 0.930 338 2H2* C 30 2H2* C 30 20.206 13.467 2.484 339 1H ASP 10 1H ASP 10 -4.574 14.673 9.163 340 HA ASP 10 HA ASP 10 -6.360 12.718 10.433 341 1HB ASP 10 1HB ASP 10 -6.244 15.736 10.542 342 2HB ASP 10 2HB ASP 10 -7.593 14.812 11.195 343 H GLU 11 H GLU 11 -6.011 12.835 7.604 344 HA GLU 11 HA GLU 11 -8.503 13.984 6.618 345 1HB GLU 11 1HB GLU 11 -6.211 12.657 5.149 346 2HB GLU 11 2HB GLU 11 -7.614 13.392 4.388 347 1HG GLU 11 1HG GLU 11 -7.004 15.552 5.205 348 2HG GLU 11 2HG GLU 11 -5.665 14.871 6.126 349 H LEU 12 H LEU 12 -9.871 12.626 5.200 350 HA LEU 12 HA LEU 12 -9.890 9.823 6.116 351 1HB LEU 12 1HB LEU 12 -12.213 11.625 5.434 352 2HB LEU 12 2HB LEU 12 -12.361 9.899 5.694 353 HG LEU 12 HG LEU 12 -11.449 11.910 7.755 354 1HD1 LEU 12 1HD1 LEU 12 -13.585 11.423 8.839 355 2HD1 LEU 12 2HD1 LEU 12 -14.035 10.380 7.490 356 3HD1 LEU 12 3HD1 LEU 12 -13.820 12.111 7.231 357 1HD2 LEU 12 1HD2 LEU 12 -11.615 10.036 9.326 358 2HD2 LEU 12 2HD2 LEU 12 -10.402 9.735 8.082 359 3HD2 LEU 12 3HD2 LEU 12 -11.977 8.947 7.986 360 H CYS 13 H CYS 13 -10.464 8.235 4.612 361 HA CYS 13 HA CYS 13 -9.539 8.600 1.995 362 1HB CYS 13 1HB CYS 13 -11.402 6.466 3.056 363 2HB CYS 13 2HB CYS 13 -10.524 6.389 1.532 364 HG CYS 13 HG CYS 13 -9.201 6.303 4.680 365 HA PRO 14 HA PRO 14 -12.995 10.714 0.222 366 1HB PRO 14 1HB PRO 14 -12.185 10.629 -2.346 367 2HB PRO 14 2HB PRO 14 -11.394 11.655 -1.141 368 1HG PRO 14 1HG PRO 14 -10.586 8.936 -2.125 369 2HG PRO 14 2HG PRO 14 -9.585 10.393 -1.942 370 1HD PRO 14 1HD PRO 14 -9.593 8.437 -0.101 371 2HD PRO 14 2HD PRO 14 -9.440 10.147 0.356 372 H VAL 15 H VAL 15 -12.677 7.510 0.261 373 HA VAL 15 HA VAL 15 -15.069 7.177 -1.383 374 HB VAL 15 HB VAL 15 -13.427 6.207 -2.740 375 1HG1 VAL 15 1HG1 VAL 15 -11.665 4.871 -2.190 376 2HG1 VAL 15 2HG1 VAL 15 -12.391 4.362 -0.674 377 3HG1 VAL 15 3HG1 VAL 15 -11.736 5.994 -0.832 378 1HG2 VAL 15 1HG2 VAL 15 -15.421 4.865 -2.593 379 2HG2 VAL 15 2HG2 VAL 15 -14.746 3.987 -1.221 380 3HG2 VAL 15 3HG2 VAL 15 -14.010 3.831 -2.816 381 H CYS 16 H CYS 16 -13.153 5.123 0.789 382 HA CYS 16 HA CYS 16 -15.553 3.945 1.829 383 1HB CYS 16 1HB CYS 16 -14.077 2.580 3.215 384 2HB CYS 16 2HB CYS 16 -13.531 2.602 1.543 385 HG CYS 16 HG CYS 16 -11.776 3.105 4.151 386 H GLY 17 H GLY 17 -13.642 6.640 2.725 387 1HA GLY 17 1HA GLY 17 -14.136 8.239 4.331 388 2HA GLY 17 2HA GLY 17 -15.426 7.200 4.916 389 H ASP 18 H ASP 18 -12.554 5.489 4.679 390 HA ASP 18 HA ASP 18 -12.260 5.362 7.531 391 1HB ASP 18 1HB ASP 18 -10.860 4.048 5.224 392 2HB ASP 18 2HB ASP 18 -10.190 3.942 6.849 393 H LYS 19 H LYS 19 -10.264 5.749 8.666 394 HA LYS 19 HA LYS 19 -9.114 8.268 8.132 395 1HB LYS 19 1HB LYS 19 -8.084 6.023 9.878 396 2HB LYS 19 2HB LYS 19 -7.508 7.682 9.914 397 1HG LYS 19 1HG LYS 19 -9.709 8.443 10.635 398 2HG LYS 19 2HG LYS 19 -10.304 6.782 10.578 399 1HD LYS 19 1HD LYS 19 -9.731 7.435 12.862 400 2HD LYS 19 2HD LYS 19 -8.681 6.137 12.289 401 1HE LYS 19 1HE LYS 19 -6.974 7.849 11.716 402 2HE LYS 19 2HE LYS 19 -8.012 9.073 12.446 403 1HZ LYS 19 1HZ LYS 19 -7.845 7.918 14.556 404 2HZ LYS 19 2HZ LYS 19 -6.301 8.310 13.971 405 3HZ LYS 19 3HZ LYS 19 -6.871 6.718 13.854 406 H VAL 20 H VAL 20 -7.313 8.862 7.031 407 HA VAL 20 HA VAL 20 -6.328 7.054 5.079 408 HB VAL 20 HB VAL 20 -4.822 8.857 4.385 409 1HG1 VAL 20 1HG1 VAL 20 -6.543 10.507 3.813 410 2HG1 VAL 20 2HG1 VAL 20 -7.627 9.777 4.999 411 3HG1 VAL 20 3HG1 VAL 20 -7.114 8.855 3.586 412 1HG2 VAL 20 1HG2 VAL 20 -4.231 9.750 6.576 413 2HG2 VAL 20 2HG2 VAL 20 -5.881 10.336 6.793 414 3HG2 VAL 20 3HG2 VAL 20 -4.860 11.024 5.529 415 H SER 21 H SER 21 -4.384 6.072 4.853 416 HA SER 21 HA SER 21 -2.750 5.862 7.286 417 1HB SER 21 1HB SER 21 -3.879 3.805 6.239 418 2HB SER 21 2HB SER 21 -2.731 3.983 4.916 419 HG SER 21 HG SER 21 -1.575 2.734 6.172 420 H GLY 22 H GLY 22 -2.705 7.972 5.211 421 1HA GLY 22 1HA GLY 22 -0.655 9.229 4.858 422 2HA GLY 22 2HA GLY 22 0.129 7.710 4.451 423 H TYR 23 H TYR 23 0.530 9.599 2.705 424 HA TYR 23 HA TYR 23 -1.458 9.657 0.616 425 1HB TYR 23 1HB TYR 23 0.048 11.573 1.076 426 2HB TYR 23 2HB TYR 23 1.428 10.582 0.631 427 HD1 TYR 23 HD1 TYR 23 -1.658 12.151 -0.689 428 HD2 TYR 23 HD2 TYR 23 2.091 10.375 -1.621 429 HE1 TYR 23 HE1 TYR 23 -1.882 12.912 -3.017 430 HE2 TYR 23 HE2 TYR 23 1.876 11.126 -3.950 431 HH TYR 23 HH TYR 23 -0.354 13.434 -4.941 432 H HIS 24 H HIS 24 -1.736 8.038 -0.803 433 HA HIS 24 HA HIS 24 0.565 6.451 -1.671 434 1HB HIS 24 1HB HIS 24 -1.941 5.173 -0.548 435 2HB HIS 24 2HB HIS 24 -0.571 4.323 -1.248 436 HD1 HIS 24 HD1 HIS 24 1.795 4.860 0.146 437 HD2 HIS 24 HD2 HIS 24 -1.830 5.322 2.132 438 HE1 HIS 24 HE1 HIS 24 2.356 4.802 2.602 439 HE2 HIS 24 HE2 HIS 24 0.153 5.153 3.790 440 H TYR 25 H TYR 25 0.457 5.943 -3.774 441 HA TYR 25 HA TYR 25 -0.348 5.289 -5.799 442 1HB TYR 25 1HB TYR 25 -2.977 5.274 -4.338 443 2HB TYR 25 2HB TYR 25 -2.872 4.954 -6.064 444 HD1 TYR 25 HD1 TYR 25 -0.800 3.838 -3.142 445 HD2 TYR 25 HD2 TYR 25 -3.221 2.726 -6.458 446 HE1 TYR 25 HE1 TYR 25 -0.343 1.469 -2.675 447 HE2 TYR 25 HE2 TYR 25 -2.769 0.355 -6.000 448 HH TYR 25 HH TYR 25 -1.021 -0.987 -4.886 449 H GLY 26 H GLY 26 -1.954 7.975 -4.234 450 1HA GLY 26 1HA GLY 26 -1.402 9.893 -6.114 451 2HA GLY 26 2HA GLY 26 -2.905 9.163 -6.663 452 H LEU 27 H LEU 27 -3.716 8.593 -3.868 453 HA LEU 27 HA LEU 27 -4.206 11.330 -2.896 454 1HB LEU 27 1HB LEU 27 -6.169 9.027 -2.882 455 2HB LEU 27 2HB LEU 27 -6.428 10.573 -2.103 456 HG LEU 27 HG LEU 27 -6.130 11.535 -4.513 457 1HD1 LEU 27 1HD1 LEU 27 -5.419 9.525 -5.622 458 2HD1 LEU 27 2HD1 LEU 27 -7.018 9.971 -6.222 459 3HD1 LEU 27 3HD1 LEU 27 -6.848 8.658 -5.053 460 1HD2 LEU 27 1HD2 LEU 27 -8.167 11.658 -3.191 461 2HD2 LEU 27 2HD2 LEU 27 -8.582 10.005 -3.652 462 3HD2 LEU 27 3HD2 LEU 27 -8.539 11.278 -4.874 463 H LEU 28 H LEU 28 -5.266 10.966 -0.509 464 HA LEU 28 HA LEU 28 -3.413 9.206 0.898 465 1HB LEU 28 1HB LEU 28 -5.325 11.316 1.889 466 2HB LEU 28 2HB LEU 28 -4.455 10.238 2.963 467 HG LEU 28 HG LEU 28 -2.351 11.167 1.690 468 1HD1 LEU 28 1HD1 LEU 28 -4.347 13.395 1.334 469 2HD1 LEU 28 2HD1 LEU 28 -3.582 12.463 0.047 470 3HD1 LEU 28 3HD1 LEU 28 -2.606 13.516 1.072 471 1HD2 LEU 28 1HD2 LEU 28 -2.768 11.377 4.074 472 2HD2 LEU 28 2HD2 LEU 28 -3.849 12.738 3.777 473 3HD2 LEU 28 3HD2 LEU 28 -2.130 12.883 3.412 474 H THR 29 H THR 29 -3.998 7.237 1.463 475 HA THR 29 HA THR 29 -6.844 6.613 1.745 476 HB THR 29 HB THR 29 -6.403 4.500 0.390 477 HG1 THR 29 HG1 THR 29 -4.373 5.872 -0.950 478 1HG2 THR 29 1HG2 THR 29 -6.759 5.629 -1.767 479 2HG2 THR 29 2HG2 THR 29 -6.271 7.164 -1.047 480 3HG2 THR 29 3HG2 THR 29 -7.738 6.356 -0.493 481 H CYS 30 H CYS 30 -7.237 4.545 2.815 482 HA CYS 30 HA CYS 30 -5.318 4.125 4.935 483 1HB CYS 30 1HB CYS 30 -7.071 2.627 5.867 484 2HB CYS 30 2HB CYS 30 -7.660 4.251 5.527 485 HG CYS 30 HG CYS 30 -9.060 1.526 4.687 486 H GLU 31 H GLU 31 -5.208 1.672 5.672 487 HA GLU 31 HA GLU 31 -3.608 0.346 3.779 488 1HB GLU 31 1HB GLU 31 -4.868 -0.619 6.346 489 2HB GLU 31 2HB GLU 31 -3.755 -1.591 5.390 490 1HG GLU 31 1HG GLU 31 -3.174 1.036 6.737 491 2HG GLU 31 2HG GLU 31 -2.547 -0.554 7.175 492 H SER 32 H SER 32 -6.989 -0.062 4.704 493 HA SER 32 HA SER 32 -7.465 -2.420 3.253 494 1HB SER 32 1HB SER 32 -9.889 -1.122 3.284 495 2HB SER 32 2HB SER 32 -9.263 -2.144 4.579 496 HG SER 32 HG SER 32 -9.603 -0.329 5.650 497 H CYS 33 H CYS 33 -7.598 0.991 2.319 498 HA CYS 33 HA CYS 33 -8.709 0.628 -0.239 499 1HB CYS 33 1HB CYS 33 -6.821 2.738 0.816 500 2HB CYS 33 2HB CYS 33 -7.517 2.791 -0.798 501 HG CYS 33 HG CYS 33 -9.268 2.939 2.144 502 H LYS 34 H LYS 34 -5.294 0.891 0.756 503 HA LYS 34 HA LYS 34 -4.170 0.410 -1.764 504 1HB LYS 34 1HB LYS 34 -2.875 1.298 0.119 505 2HB LYS 34 2HB LYS 34 -3.039 -0.231 0.972 506 1HG LYS 34 1HG LYS 34 -1.740 -1.354 -0.741 507 2HG LYS 34 2HG LYS 34 -1.623 0.145 -1.660 508 1HD LYS 34 1HD LYS 34 0.439 -0.133 -0.509 509 2HD LYS 34 2HD LYS 34 -0.441 1.150 0.318 510 1HE LYS 34 1HE LYS 34 -0.608 -1.694 1.259 511 2HE LYS 34 2HE LYS 34 0.746 -0.666 1.723 512 1HZ LYS 34 1HZ LYS 34 -2.117 -0.076 2.233 513 2HZ LYS 34 2HZ LYS 34 -0.811 0.899 2.685 514 3HZ LYS 34 3HZ LYS 34 -1.003 -0.630 3.386 515 H GLY 35 H GLY 35 -5.036 -1.818 0.841 516 1HA GLY 35 1HA GLY 35 -3.995 -4.159 -0.331 517 2HA GLY 35 2HA GLY 35 -5.237 -4.096 0.909 518 H PHE 36 H PHE 36 -7.364 -2.984 -0.218 519 HA PHE 36 HA PHE 36 -8.409 -5.095 -1.760 520 1HB PHE 36 1HB PHE 36 -9.852 -3.760 -0.345 521 2HB PHE 36 2HB PHE 36 -9.482 -2.311 -1.274 522 HD1 PHE 36 HD1 PHE 36 -11.072 -5.650 -1.505 523 HD2 PHE 36 HD2 PHE 36 -10.756 -1.735 -3.141 524 HE1 PHE 36 HE1 PHE 36 -12.990 -6.111 -2.975 525 HE2 PHE 36 HE2 PHE 36 -12.673 -2.190 -4.612 526 HZ PHE 36 HZ PHE 36 -13.792 -4.381 -4.529 527 H PHE 37 H PHE 37 -7.169 -1.915 -2.651 528 HA PHE 37 HA PHE 37 -7.996 -1.879 -5.318 529 1HB PHE 37 1HB PHE 37 -6.890 -0.004 -3.970 530 2HB PHE 37 2HB PHE 37 -5.356 -0.770 -4.367 531 HD1 PHE 37 HD1 PHE 37 -8.331 0.876 -5.793 532 HD2 PHE 37 HD2 PHE 37 -4.362 -0.484 -6.490 533 HE1 PHE 37 HE1 PHE 37 -8.295 2.095 -7.928 534 HE2 PHE 37 HE2 PHE 37 -4.318 0.733 -8.627 535 HZ PHE 37 HZ PHE 37 -6.285 2.026 -9.347 536 H LYS 38 H LYS 38 -4.885 -2.994 -3.941 537 HA LYS 38 HA LYS 38 -3.949 -4.043 -6.392 538 1HB LYS 38 1HB LYS 38 -3.142 -4.377 -3.549 539 2HB LYS 38 2HB LYS 38 -2.529 -5.524 -4.733 540 1HG LYS 38 1HG LYS 38 -1.827 -3.455 -6.075 541 2HG LYS 38 2HG LYS 38 -2.072 -2.573 -4.566 542 1HD LYS 38 1HD LYS 38 -0.297 -4.992 -4.859 543 2HD LYS 38 2HD LYS 38 0.272 -3.322 -4.924 544 1HE LYS 38 1HE LYS 38 -1.287 -4.407 -2.598 545 2HE LYS 38 2HE LYS 38 0.472 -4.529 -2.694 546 1HZ LYS 38 1HZ LYS 38 0.577 -2.114 -2.889 547 2HZ LYS 38 2HZ LYS 38 -0.185 -2.579 -1.454 548 3HZ LYS 38 3HZ LYS 38 -1.107 -2.012 -2.756 549 H ARG 39 H ARG 39 -5.703 -5.549 -3.705 550 HA ARG 39 HA ARG 39 -5.688 -8.193 -4.475 551 1HB ARG 39 1HB ARG 39 -7.892 -6.542 -3.250 552 2HB ARG 39 2HB ARG 39 -8.063 -8.270 -3.518 553 1HG ARG 39 1HG ARG 39 -5.917 -6.984 -1.846 554 2HG ARG 39 2HG ARG 39 -7.393 -7.727 -1.223 555 1HD ARG 39 1HD ARG 39 -6.735 -9.863 -2.181 556 2HD ARG 39 2HD ARG 39 -5.276 -9.129 -2.846 557 HE ARG 39 HE ARG 39 -5.332 -8.704 -0.074 558 1HH1 ARG 39 1HH1 ARG 39 -4.957 -11.291 -2.396 559 2HH1 ARG 39 2HH1 ARG 39 -3.959 -12.264 -1.348 560 1HH2 ARG 39 1HH2 ARG 39 -4.028 -9.979 1.315 561 2HH2 ARG 39 2HH2 ARG 39 -3.446 -11.527 0.767 562 H THR 40 H THR 40 -7.808 -5.633 -5.684 563 HA THR 40 HA THR 40 -9.310 -7.346 -7.383 564 HB THR 40 HB THR 40 -8.977 -4.355 -7.634 565 HG1 THR 40 HG1 THR 40 -9.706 -4.667 -5.576 566 1HG2 THR 40 1HG2 THR 40 -10.064 -5.394 -9.551 567 2HG2 THR 40 2HG2 THR 40 -11.241 -4.479 -8.610 568 3HG2 THR 40 3HG2 THR 40 -11.186 -6.238 -8.484 569 H VAL 41 H VAL 41 -6.624 -5.076 -7.970 570 HA VAL 41 HA VAL 41 -6.615 -5.485 -10.787 571 HB VAL 41 HB VAL 41 -4.345 -4.415 -9.112 572 1HG1 VAL 41 1HG1 VAL 41 -3.730 -4.910 -11.415 573 2HG1 VAL 41 2HG1 VAL 41 -3.776 -3.166 -11.146 574 3HG1 VAL 41 3HG1 VAL 41 -5.099 -3.962 -11.999 575 1HG2 VAL 41 1HG2 VAL 41 -5.314 -2.200 -9.499 576 2HG2 VAL 41 2HG2 VAL 41 -6.394 -3.232 -8.563 577 3HG2 VAL 41 3HG2 VAL 41 -6.709 -2.951 -10.274 578 H GLN 42 H GLN 42 -4.645 -6.826 -8.140 579 HA GLN 42 HA GLN 42 -2.813 -8.274 -9.689 580 1HB GLN 42 1HB GLN 42 -3.954 -8.793 -6.947 581 2HB GLN 42 2HB GLN 42 -2.738 -9.835 -7.668 582 1HG GLN 42 1HG GLN 42 -1.171 -8.002 -7.763 583 2HG GLN 42 2HG GLN 42 -2.398 -6.889 -7.155 584 1HE2 GLN 42 1HE2 GLN 42 -0.300 -9.556 -6.355 585 2HE2 GLN 42 2HE2 GLN 42 -0.410 -9.387 -4.639 586 H ASN 43 H ASN 43 -6.046 -9.088 -8.571 587 HA ASN 43 HA ASN 43 -5.874 -11.736 -9.772 588 1HB ASN 43 1HB ASN 43 -7.983 -10.367 -8.108 589 2HB ASN 43 2HB ASN 43 -8.258 -11.924 -8.876 590 1HD2 ASN 43 1HD2 ASN 43 -5.170 -10.938 -7.530 591 2HD2 ASN 43 2HD2 ASN 43 -5.171 -12.076 -6.230 592 H ASN 44 H ASN 44 -6.453 -8.734 -10.871 593 HA ASN 44 HA ASN 44 -7.618 -7.742 -12.536 594 1HB ASN 44 1HB ASN 44 -7.541 -8.968 -14.713 595 2HB ASN 44 2HB ASN 44 -5.999 -8.864 -13.886 596 1HD2 ASN 44 1HD2 ASN 44 -5.000 -10.706 -13.191 597 2HD2 ASN 44 2HD2 ASN 44 -5.550 -12.294 -13.617 598 H LYS 45 H LYS 45 -9.340 -8.580 -10.696 599 HA LYS 45 HA LYS 45 -11.482 -10.035 -12.071 600 1HB LYS 45 1HB LYS 45 -12.533 -10.034 -9.752 601 2HB LYS 45 2HB LYS 45 -11.085 -11.006 -9.969 602 1HG LYS 45 1HG LYS 45 -9.753 -9.391 -8.833 603 2HG LYS 45 2HG LYS 45 -11.079 -8.230 -8.816 604 1HD LYS 45 1HD LYS 45 -10.974 -9.150 -6.639 605 2HD LYS 45 2HD LYS 45 -12.366 -9.891 -7.421 606 1HE LYS 45 1HE LYS 45 -9.655 -11.197 -7.282 607 2HE LYS 45 2HE LYS 45 -10.900 -11.431 -6.060 608 1HZ LYS 45 1HZ LYS 45 -10.977 -12.236 -8.913 609 2HZ LYS 45 2HZ LYS 45 -12.364 -12.202 -7.940 610 3HZ LYS 45 3HZ LYS 45 -11.073 -13.229 -7.541 611 H HIS 46 H HIS 46 -13.680 -9.331 -11.832 612 HA HIS 46 HA HIS 46 -14.047 -6.475 -11.249 613 1HB HIS 46 1HB HIS 46 -15.275 -8.051 -13.528 614 2HB HIS 46 2HB HIS 46 -15.855 -6.471 -13.014 615 HD1 HIS 46 HD1 HIS 46 -14.624 -4.435 -13.886 616 HD2 HIS 46 HD2 HIS 46 -12.657 -8.011 -14.718 617 HE1 HIS 46 HE1 HIS 46 -12.761 -3.838 -15.464 618 HE2 HIS 46 HE2 HIS 46 -11.622 -6.018 -16.009 619 H TYR 47 H TYR 47 -16.121 -5.991 -10.292 620 HA TYR 47 HA TYR 47 -17.168 -8.364 -8.907 621 1HB TYR 47 1HB TYR 47 -17.184 -5.479 -8.002 622 2HB TYR 47 2HB TYR 47 -17.798 -6.848 -7.082 623 HD1 TYR 47 HD1 TYR 47 -14.821 -5.062 -8.191 624 HD2 TYR 47 HD2 TYR 47 -16.257 -8.454 -6.065 625 HE1 TYR 47 HE1 TYR 47 -12.594 -5.380 -7.206 626 HE2 TYR 47 HE2 TYR 47 -14.030 -8.782 -5.074 627 HH TYR 47 HH TYR 47 -11.473 -6.427 -5.491 628 H THR 48 H THR 48 -19.389 -8.451 -8.372 629 HA THR 48 HA THR 48 -21.111 -7.014 -10.277 630 HB THR 48 HB THR 48 -21.698 -9.530 -8.695 631 HG1 THR 48 HG1 THR 48 -20.072 -9.708 -10.397 632 1HG2 THR 48 1HG2 THR 48 -23.716 -8.263 -9.268 633 2HG2 THR 48 2HG2 THR 48 -23.624 -9.761 -10.194 634 3HG2 THR 48 3HG2 THR 48 -23.216 -8.226 -10.960 635 H CYS 49 H CYS 49 -22.573 -5.574 -9.531 636 HA CYS 49 HA CYS 49 -22.654 -5.163 -6.632 637 1HB CYS 49 1HB CYS 49 -21.981 -3.232 -7.958 638 2HB CYS 49 2HB CYS 49 -23.456 -3.345 -8.913 639 HG CYS 49 HG CYS 49 -22.996 -2.073 -5.820 640 H THR 50 H THR 50 -24.849 -5.185 -9.430 641 HA THR 50 HA THR 50 -26.988 -5.890 -9.686 642 HB THR 50 HB THR 50 -26.780 -6.976 -6.874 643 HG1 THR 50 HG1 THR 50 -26.132 -8.863 -7.840 644 1HG2 THR 50 1HG2 THR 50 -29.096 -6.730 -7.625 645 2HG2 THR 50 2HG2 THR 50 -28.636 -8.430 -7.539 646 3HG2 THR 50 3HG2 THR 50 -28.716 -7.617 -9.101 647 H GLU 51 H GLU 51 -26.296 -4.279 -6.630 648 HA GLU 51 HA GLU 51 -28.881 -3.405 -6.014 649 1HB GLU 51 1HB GLU 51 -26.236 -2.089 -5.375 650 2HB GLU 51 2HB GLU 51 -27.765 -1.752 -4.576 651 1HG GLU 51 1HG GLU 51 -26.428 -4.443 -4.591 652 2HG GLU 51 2HG GLU 51 -26.242 -3.248 -3.309 653 H SER 52 H SER 52 -26.254 -1.626 -7.634 654 HA SER 52 HA SER 52 -28.032 -0.177 -9.306 655 1HB SER 52 1HB SER 52 -28.531 0.931 -7.143 656 2HB SER 52 2HB SER 52 -26.832 1.375 -6.997 657 HG SER 52 HG SER 52 -28.552 2.149 -9.130 658 H GLN 53 H GLN 53 -24.867 -0.684 -7.962 659 HA GLN 53 HA GLN 53 -22.782 -0.511 -8.826 660 1HB GLN 53 1HB GLN 53 -24.229 0.413 -11.301 661 2HB GLN 53 2HB GLN 53 -22.475 0.398 -11.190 662 1HG GLN 53 1HG GLN 53 -22.570 -2.029 -10.722 663 2HG GLN 53 2HG GLN 53 -24.316 -1.972 -10.972 664 1HE2 GLN 53 1HE2 GLN 53 -22.160 -3.382 -12.437 665 2HE2 GLN 53 2HE2 GLN 53 -22.327 -2.886 -14.088 666 H SER 54 H SER 54 -24.888 2.249 -9.450 667 HA SER 54 HA SER 54 -22.762 4.155 -8.973 668 1HB SER 54 1HB SER 54 -25.742 4.613 -9.265 669 2HB SER 54 2HB SER 54 -24.472 5.828 -9.403 670 HG SER 54 HG SER 54 -23.690 4.229 -11.148 671 H CYS 55 H CYS 55 -23.345 2.299 -6.842 672 HA CYS 55 HA CYS 55 -25.087 3.425 -4.913 673 1HB CYS 55 1HB CYS 55 -22.837 1.452 -4.494 674 2HB CYS 55 2HB CYS 55 -24.199 1.735 -3.414 675 HG CYS 55 HG CYS 55 -25.312 -0.379 -4.385 676 H LYS 56 H LYS 56 -24.459 4.195 -2.797 677 HA LYS 56 HA LYS 56 -22.254 6.087 -3.009 678 1HB LYS 56 1HB LYS 56 -24.426 5.798 -0.923 679 2HB LYS 56 2HB LYS 56 -23.223 7.080 -0.962 680 1HG LYS 56 1HG LYS 56 -25.325 6.565 -3.054 681 2HG LYS 56 2HG LYS 56 -25.354 7.845 -1.840 682 1HD LYS 56 1HD LYS 56 -23.252 8.741 -2.798 683 2HD LYS 56 2HD LYS 56 -23.342 7.511 -4.062 684 1HE LYS 56 1HE LYS 56 -24.213 9.656 -4.841 685 2HE LYS 56 2HE LYS 56 -25.472 8.423 -4.812 686 1HZ LYS 56 1HZ LYS 56 -26.151 10.620 -3.911 687 2HZ LYS 56 2HZ LYS 56 -25.059 10.393 -2.634 688 3HZ LYS 56 3HZ LYS 56 -26.367 9.334 -2.828 689 H ILE 57 H ILE 57 -20.348 5.294 -2.435 690 HA ILE 57 HA ILE 57 -20.126 3.332 -0.320 691 HB ILE 57 HB ILE 57 -18.003 4.697 -1.983 692 1HG1 ILE 57 1HG1 ILE 57 -19.409 3.141 -3.241 693 2HG1 ILE 57 2HG1 ILE 57 -17.787 2.486 -3.046 694 1HG2 ILE 57 1HG2 ILE 57 -17.106 4.107 0.202 695 2HG2 ILE 57 2HG2 ILE 57 -16.438 3.063 -1.051 696 3HG2 ILE 57 3HG2 ILE 57 -17.707 2.458 0.017 697 1HD1 ILE 57 1HD1 ILE 57 -20.215 1.712 -1.442 698 2HD1 ILE 57 2HD1 ILE 57 -18.590 1.059 -1.230 699 3HD1 ILE 57 3HD1 ILE 57 -19.469 0.768 -2.731 700 H ASP 58 H ASP 58 -20.249 3.979 1.690 701 HA ASP 58 HA ASP 58 -18.845 6.439 2.476 702 1HB ASP 58 1HB ASP 58 -20.597 7.083 3.910 703 2HB ASP 58 2HB ASP 58 -21.438 6.531 2.465 704 H LYS 59 H LYS 59 -19.168 6.194 5.188 705 HA LYS 59 HA LYS 59 -17.123 4.386 5.850 706 1HB LYS 59 1HB LYS 59 -17.612 6.487 7.057 707 2HB LYS 59 2HB LYS 59 -19.098 5.775 7.667 708 1HG LYS 59 1HG LYS 59 -17.844 4.129 8.909 709 2HG LYS 59 2HG LYS 59 -16.331 4.735 8.229 710 1HD LYS 59 1HD LYS 59 -16.684 6.884 9.311 711 2HD LYS 59 2HD LYS 59 -18.234 6.328 9.945 712 1HE LYS 59 1HE LYS 59 -15.552 5.112 10.584 713 2HE LYS 59 2HE LYS 59 -16.430 6.235 11.621 714 1HZ LYS 59 1HZ LYS 59 -16.827 4.010 12.360 715 2HZ LYS 59 2HZ LYS 59 -17.297 3.512 10.810 716 3HZ LYS 59 3HZ LYS 59 -18.263 4.605 11.683 717 H THR 60 H THR 60 -20.608 4.067 5.865 718 HA THR 60 HA THR 60 -20.462 1.582 7.374 719 HB THR 60 HB THR 60 -22.940 1.520 7.151 720 HG1 THR 60 HG1 THR 60 -22.446 3.904 5.674 721 1HG2 THR 60 1HG2 THR 60 -21.787 4.088 8.243 722 2HG2 THR 60 2HG2 THR 60 -21.896 2.549 9.097 723 3HG2 THR 60 3HG2 THR 60 -23.365 3.416 8.651 724 H GLN 61 H GLN 61 -21.512 2.604 4.103 725 HA GLN 61 HA GLN 61 -22.023 -0.149 3.365 726 1HB GLN 61 1HB GLN 61 -22.083 2.330 1.641 727 2HB GLN 61 2HB GLN 61 -22.747 0.755 1.226 728 1HG GLN 61 1HG GLN 61 -24.295 0.969 3.155 729 2HG GLN 61 2HG GLN 61 -23.694 2.608 3.395 730 1HE2 GLN 61 1HE2 GLN 61 -25.665 3.558 3.012 731 2HE2 GLN 61 2HE2 GLN 61 -26.383 3.618 1.433 732 H ARG 62 H ARG 62 -19.242 1.351 3.760 733 HA ARG 62 HA ARG 62 -17.783 1.257 1.423 734 1HB ARG 62 1HB ARG 62 -15.784 0.974 2.870 735 2HB ARG 62 2HB ARG 62 -16.869 2.243 3.418 736 1HG ARG 62 1HG ARG 62 -17.811 0.634 5.067 737 2HG ARG 62 2HG ARG 62 -16.565 -0.516 4.579 738 1HD ARG 62 1HD ARG 62 -14.835 1.101 5.243 739 2HD ARG 62 2HD ARG 62 -16.102 2.226 5.748 740 HE ARG 62 HE ARG 62 -16.759 0.470 7.392 741 1HH1 ARG 62 1HH1 ARG 62 -13.471 0.694 6.210 742 2HH1 ARG 62 2HH1 ARG 62 -12.796 -0.149 7.570 743 1HH2 ARG 62 1HH2 ARG 62 -15.855 -0.628 9.203 744 2HH2 ARG 62 2HH2 ARG 62 -14.133 -0.895 9.263 745 H LYS 63 H LYS 63 -18.630 -1.425 3.554 746 HA LYS 63 HA LYS 63 -16.884 -3.198 2.028 747 1HB LYS 63 1HB LYS 63 -17.128 -4.777 3.782 748 2HB LYS 63 2HB LYS 63 -16.893 -3.211 4.539 749 1HG LYS 63 1HG LYS 63 -18.677 -3.660 5.774 750 2HG LYS 63 2HG LYS 63 -19.647 -3.454 4.315 751 1HD LYS 63 1HD LYS 63 -20.136 -5.594 5.402 752 2HD LYS 63 2HD LYS 63 -19.413 -5.837 3.810 753 1HE LYS 63 1HE LYS 63 -17.198 -6.094 4.970 754 2HE LYS 63 2HE LYS 63 -18.075 -6.094 6.499 755 1HZ LYS 63 1HZ LYS 63 -17.636 -8.335 5.771 756 2HZ LYS 63 2HZ LYS 63 -18.406 -8.051 4.287 757 3HZ LYS 63 3HZ LYS 63 -19.309 -8.046 5.723 758 H ARG 64 H ARG 64 -20.008 -2.145 1.779 759 HA ARG 64 HA ARG 64 -21.270 -4.704 1.316 760 1HB ARG 64 1HB ARG 64 -22.322 -1.906 0.876 761 2HB ARG 64 2HB ARG 64 -23.275 -3.381 0.784 762 1HG ARG 64 1HG ARG 64 -22.776 -3.825 3.149 763 2HG ARG 64 2HG ARG 64 -21.890 -2.300 3.227 764 1HD ARG 64 1HD ARG 64 -23.974 -1.132 2.534 765 2HD ARG 64 2HD ARG 64 -24.824 -2.673 2.649 766 HE ARG 64 HE ARG 64 -23.621 -2.380 5.086 767 1HH1 ARG 64 1HH1 ARG 64 -25.855 -0.484 3.158 768 2HH1 ARG 64 2HH1 ARG 64 -26.572 0.303 4.536 769 1HH2 ARG 64 1HH2 ARG 64 -24.581 -1.360 6.905 770 2HH2 ARG 64 2HH2 ARG 64 -25.866 -0.213 6.655 771 H CYS 65 H CYS 65 -20.108 -2.002 -0.641 772 HA CYS 65 HA CYS 65 -20.550 -3.696 -3.007 773 1HB CYS 65 1HB CYS 65 -20.710 -0.698 -2.750 774 2HB CYS 65 2HB CYS 65 -20.574 -1.512 -4.304 775 HG CYS 65 HG CYS 65 -23.056 -2.648 -2.357 776 HA PRO 66 HA PRO 66 -15.994 -3.385 -2.857 777 1HB PRO 66 1HB PRO 66 -15.681 -5.577 -4.484 778 2HB PRO 66 2HB PRO 66 -15.795 -5.660 -2.723 779 1HG PRO 66 1HG PRO 66 -17.896 -6.161 -4.787 780 2HG PRO 66 2HG PRO 66 -17.581 -7.026 -3.272 781 1HD PRO 66 1HD PRO 66 -19.583 -5.233 -3.522 782 2HD PRO 66 2HD PRO 66 -18.701 -5.462 -1.999 783 H PHE 67 H PHE 67 -18.157 -4.025 -5.564 784 HA PHE 67 HA PHE 67 -16.483 -3.229 -7.665 785 1HB PHE 67 1HB PHE 67 -18.558 -4.466 -8.030 786 2HB PHE 67 2HB PHE 67 -19.499 -3.108 -7.428 787 HD1 PHE 67 HD1 PHE 67 -20.312 -1.522 -8.903 788 HD2 PHE 67 HD2 PHE 67 -17.100 -4.039 -10.112 789 HE1 PHE 67 HE1 PHE 67 -20.474 -0.626 -11.187 790 HE2 PHE 67 HE2 PHE 67 -17.256 -3.146 -12.397 791 HZ PHE 67 HZ PHE 67 -18.945 -1.438 -12.938 792 H CYS 68 H CYS 68 -18.987 -1.391 -5.925 793 HA CYS 68 HA CYS 68 -18.563 1.026 -7.296 794 1HB CYS 68 1HB CYS 68 -19.687 0.687 -4.511 795 2HB CYS 68 2HB CYS 68 -19.973 2.028 -5.614 796 HG CYS 68 HG CYS 68 -21.554 0.686 -7.362 797 H ARG 69 H ARG 69 -17.120 -0.336 -4.389 798 HA ARG 69 HA ARG 69 -15.732 1.957 -3.522 799 1HB ARG 69 1HB ARG 69 -16.009 -0.141 -2.187 800 2HB ARG 69 2HB ARG 69 -14.852 -0.927 -3.252 801 1HG ARG 69 1HG ARG 69 -13.244 0.951 -2.581 802 2HG ARG 69 2HG ARG 69 -14.382 1.273 -1.274 803 1HD ARG 69 1HD ARG 69 -12.905 -1.300 -1.805 804 2HD ARG 69 2HD ARG 69 -12.633 -0.177 -0.474 805 HE ARG 69 HE ARG 69 -15.244 -0.897 -0.201 806 1HH1 ARG 69 1HH1 ARG 69 -12.224 -2.656 -0.393 807 2HH1 ARG 69 2HH1 ARG 69 -12.799 -3.998 0.539 808 1HH2 ARG 69 1HH2 ARG 69 -15.998 -2.648 1.025 809 2HH2 ARG 69 2HH2 ARG 69 -14.953 -4.003 1.344 810 H PHE 70 H PHE 70 -14.695 -0.771 -5.546 811 HA PHE 70 HA PHE 70 -12.115 0.171 -6.120 812 1HB PHE 70 1HB PHE 70 -12.702 -2.142 -6.475 813 2HB PHE 70 2HB PHE 70 -13.945 -1.697 -7.638 814 HD1 PHE 70 HD1 PHE 70 -10.270 -1.309 -7.105 815 HD2 PHE 70 HD2 PHE 70 -13.460 -1.882 -9.861 816 HE1 PHE 70 HE1 PHE 70 -8.641 -1.556 -8.933 817 HE2 PHE 70 HE2 PHE 70 -11.842 -2.129 -11.692 818 HZ PHE 70 HZ PHE 70 -9.427 -1.966 -11.233 819 H GLN 71 H GLN 71 -15.170 0.524 -7.886 820 HA GLN 71 HA GLN 71 -14.142 1.921 -10.085 821 1HB GLN 71 1HB GLN 71 -16.885 1.968 -8.830 822 2HB GLN 71 2HB GLN 71 -16.496 2.800 -10.331 823 1HG GLN 71 1HG GLN 71 -16.300 -0.161 -9.833 824 2HG GLN 71 2HG GLN 71 -17.543 0.662 -10.772 825 1HE2 GLN 71 1HE2 GLN 71 -15.665 2.535 -11.976 826 2HE2 GLN 71 2HE2 GLN 71 -14.769 1.633 -13.147 827 H LYS 72 H LYS 72 -15.295 3.090 -6.936 828 HA LYS 72 HA LYS 72 -14.932 5.819 -7.601 829 1HB LYS 72 1HB LYS 72 -16.412 5.013 -5.768 830 2HB LYS 72 2HB LYS 72 -14.968 4.616 -4.841 831 1HG LYS 72 1HG LYS 72 -14.323 6.874 -4.683 832 2HG LYS 72 2HG LYS 72 -15.484 7.369 -5.917 833 1HD LYS 72 1HD LYS 72 -17.204 6.368 -4.249 834 2HD LYS 72 2HD LYS 72 -15.933 6.644 -3.066 835 1HE LYS 72 1HE LYS 72 -15.827 8.984 -3.717 836 2HE LYS 72 2HE LYS 72 -17.057 8.694 -4.948 837 1HZ LYS 72 1HZ LYS 72 -18.621 8.122 -3.175 838 2HZ LYS 72 2HZ LYS 72 -18.027 9.699 -2.989 839 3HZ LYS 72 3HZ LYS 72 -17.435 8.451 -2.005 840 H CYS 73 H CYS 73 -12.790 3.342 -6.338 841 HA CYS 73 HA CYS 73 -10.715 5.025 -5.480 842 1HB CYS 73 1HB CYS 73 -10.524 2.297 -6.781 843 2HB CYS 73 2HB CYS 73 -9.211 3.106 -5.933 844 HG CYS 73 HG CYS 73 -12.162 2.280 -4.417 845 H LEU 74 H LEU 74 -11.382 3.612 -8.674 846 HA LEU 74 HA LEU 74 -9.299 5.035 -10.011 847 1HB LEU 74 1HB LEU 74 -11.854 3.952 -11.181 848 2HB LEU 74 2HB LEU 74 -10.380 4.326 -12.047 849 HG LEU 74 HG LEU 74 -10.552 2.202 -9.923 850 1HD1 LEU 74 1HD1 LEU 74 -12.076 1.680 -11.724 851 2HD1 LEU 74 2HD1 LEU 74 -10.666 0.620 -11.783 852 3HD1 LEU 74 3HD1 LEU 74 -10.803 1.972 -12.908 853 1HD2 LEU 74 1HD2 LEU 74 -8.536 2.765 -12.093 854 2HD2 LEU 74 2HD2 LEU 74 -8.477 1.430 -10.943 855 3HD2 LEU 74 3HD2 LEU 74 -8.319 3.092 -10.374 856 H THR 75 H THR 75 -12.734 5.573 -9.520 857 HA THR 75 HA THR 75 -13.227 7.910 -10.870 858 HB THR 75 HB THR 75 -14.174 6.805 -8.245 859 HG1 THR 75 HG1 THR 75 -14.996 5.823 -10.069 860 1HG2 THR 75 1HG2 THR 75 -15.336 9.315 -9.446 861 2HG2 THR 75 2HG2 THR 75 -14.229 9.300 -8.071 862 3HG2 THR 75 3HG2 THR 75 -15.806 8.510 -7.939 863 H VAL 76 H VAL 76 -11.950 7.575 -7.583 864 HA VAL 76 HA VAL 76 -11.633 10.326 -7.160 865 HB VAL 76 HB VAL 76 -11.749 8.085 -5.642 866 1HG1 VAL 76 1HG1 VAL 76 -9.719 7.909 -4.330 867 2HG1 VAL 76 2HG1 VAL 76 -8.913 9.032 -5.427 868 3HG1 VAL 76 3HG1 VAL 76 -9.458 7.461 -6.016 869 1HG2 VAL 76 1HG2 VAL 76 -12.456 10.265 -5.027 870 2HG2 VAL 76 2HG2 VAL 76 -10.783 10.800 -4.847 871 3HG2 VAL 76 3HG2 VAL 76 -11.444 9.578 -3.758 872 H GLY 77 H GLY 77 -9.666 7.974 -8.782 873 1HA GLY 77 1HA GLY 77 -8.022 8.883 -10.301 874 2HA GLY 77 2HA GLY 77 -7.665 10.123 -9.111 875 H MET 78 H MET 78 -8.016 6.850 -8.030 876 HA MET 78 HA MET 78 -5.267 6.691 -7.245 877 1HB MET 78 1HB MET 78 -7.455 4.597 -7.290 878 2HB MET 78 2HB MET 78 -5.872 4.373 -6.558 879 1HG MET 78 1HG MET 78 -7.629 6.638 -5.714 880 2HG MET 78 2HG MET 78 -7.877 5.018 -5.070 881 1HE MET 78 1HE MET 78 -6.352 3.819 -3.422 882 2HE MET 78 2HE MET 78 -4.676 4.274 -3.108 883 3HE MET 78 3HE MET 78 -5.159 3.740 -4.720 884 H ARG 79 H ARG 79 -3.651 6.212 -8.570 885 HA ARG 79 HA ARG 79 -3.947 5.408 -11.232 886 1HB ARG 79 1HB ARG 79 -1.591 5.381 -9.360 887 2HB ARG 79 2HB ARG 79 -1.454 4.836 -11.024 888 1HG ARG 79 1HG ARG 79 -2.445 7.568 -10.252 889 2HG ARG 79 2HG ARG 79 -0.756 7.201 -10.607 890 1HD ARG 79 1HD ARG 79 -1.404 6.430 -12.846 891 2HD ARG 79 2HD ARG 79 -3.086 6.815 -12.487 892 HE ARG 79 HE ARG 79 -2.288 9.183 -12.232 893 1HH1 ARG 79 1HH1 ARG 79 -0.560 6.895 -14.276 894 2HH1 ARG 79 2HH1 ARG 79 0.109 8.140 -15.292 895 1HH2 ARG 79 1HH2 ARG 79 -1.429 10.786 -13.582 896 2HH2 ARG 79 2HH2 ARG 79 -0.372 10.347 -14.891 897 H LEU 80 H LEU 80 -4.534 3.531 -12.035 898 HA LEU 80 HA LEU 80 -4.720 1.149 -10.497 899 1HB LEU 80 1HB LEU 80 -6.097 1.855 -12.530 900 2HB LEU 80 2HB LEU 80 -4.733 1.336 -13.499 901 HG LEU 80 HG LEU 80 -4.971 -0.941 -12.474 902 1HD1 LEU 80 1HD1 LEU 80 -7.578 0.206 -11.492 903 2HD1 LEU 80 2HD1 LEU 80 -6.216 -0.274 -10.480 904 3HD1 LEU 80 3HD1 LEU 80 -7.093 -1.486 -11.414 905 1HD2 LEU 80 1HD2 LEU 80 -6.834 -1.562 -13.896 906 2HD2 LEU 80 2HD2 LEU 80 -5.811 -0.369 -14.700 907 3HD2 LEU 80 3HD2 LEU 80 -7.348 0.124 -13.985 908 H GLU 81 H GLU 81 -2.426 2.451 -12.766 909 HA GLU 81 HA GLU 81 -0.796 0.178 -13.125 910 1HB GLU 81 1HB GLU 81 0.865 1.746 -13.970 911 2HB GLU 81 2HB GLU 81 -0.732 2.157 -14.583 912 1HG GLU 81 1HG GLU 81 -0.895 3.858 -12.753 913 2HG GLU 81 2HG GLU 81 0.798 3.531 -12.392 914 H ALA 82 H ALA 82 -1.353 1.895 -10.323 915 HA ALA 82 HA ALA 82 1.312 1.793 -9.232 916 1HB ALA 82 1HB ALA 82 0.279 2.542 -7.154 917 2HB ALA 82 2HB ALA 82 -1.322 2.288 -7.848 918 3HB ALA 82 3HB ALA 82 -0.258 3.526 -8.514 919 H VAL 83 H VAL 83 -0.771 -0.556 -9.998 920 HA VAL 83 HA VAL 83 -0.119 -2.229 -7.681 921 HB VAL 83 HB VAL 83 -1.993 -2.811 -9.980 922 1HG1 VAL 83 1HG1 VAL 83 -2.745 -4.698 -8.608 923 2HG1 VAL 83 2HG1 VAL 83 -1.506 -4.319 -7.412 924 3HG1 VAL 83 3HG1 VAL 83 -1.039 -4.841 -9.030 925 1HG2 VAL 83 1HG2 VAL 83 -3.781 -2.469 -8.347 926 2HG2 VAL 83 2HG2 VAL 83 -2.817 -1.008 -8.564 927 3HG2 VAL 83 3HG2 VAL 83 -2.587 -2.013 -7.132 928 H ARG 84 H ARG 84 1.958 -2.811 -7.997 929 HA ARG 84 HA ARG 84 2.902 -3.831 -10.523 930 1HB ARG 84 1HB ARG 84 4.239 -2.627 -8.630 931 2HB ARG 84 2HB ARG 84 4.289 -4.215 -7.881 932 1HG ARG 84 1HG ARG 84 6.310 -3.973 -9.054 933 2HG ARG 84 2HG ARG 84 5.316 -5.064 -10.019 934 1HD ARG 84 1HD ARG 84 5.465 -2.101 -10.531 935 2HD ARG 84 2HD ARG 84 6.563 -3.256 -11.284 936 HE ARG 84 HE ARG 84 4.454 -4.338 -12.162 937 1HH1 ARG 84 1HH1 ARG 84 4.646 -0.905 -11.451 938 2HH1 ARG 84 2HH1 ARG 84 3.458 -0.463 -12.642 939 1HH2 ARG 84 1HH2 ARG 84 2.878 -3.755 -13.714 940 2HH2 ARG 84 2HH2 ARG 84 2.457 -2.080 -13.921 941 H ALA 85 H ALA 85 1.136 -5.398 -10.680 942 HA ALA 85 HA ALA 85 0.751 -7.410 -8.708 943 1HB ALA 85 1HB ALA 85 -0.240 -7.315 -11.551 944 2HB ALA 85 2HB ALA 85 -1.048 -6.602 -10.155 945 3HB ALA 85 3HB ALA 85 -0.855 -8.352 -10.263 946 H ASP 86 H ASP 86 3.169 -7.080 -10.941 947 HA ASP 86 HA ASP 86 3.487 -9.918 -11.486 948 1HB ASP 86 1HB ASP 86 5.474 -9.209 -12.779 949 2HB ASP 86 2HB ASP 86 4.015 -8.363 -13.282 950 H ARG 87 H ARG 87 3.781 -8.414 -8.798 951 HA ARG 87 HA ARG 87 4.833 -8.805 -6.859 952 1HB ARG 87 1HB ARG 87 5.685 -11.132 -8.496 953 2HB ARG 87 2HB ARG 87 6.508 -10.834 -6.978 954 1HG ARG 87 1HG ARG 87 3.523 -11.025 -7.174 955 2HG ARG 87 2HG ARG 87 4.556 -12.433 -6.912 956 1HD ARG 87 1HD ARG 87 4.402 -9.986 -5.146 957 2HD ARG 87 2HD ARG 87 3.695 -11.564 -4.797 958 HE ARG 87 HE ARG 87 6.558 -11.574 -5.270 959 1HH1 ARG 87 1HH1 ARG 87 3.989 -11.395 -2.887 960 2HH1 ARG 87 2HH1 ARG 87 5.012 -11.842 -1.554 961 1HH2 ARG 87 1HH2 ARG 87 7.909 -12.179 -3.516 962 2HH2 ARG 87 2HH2 ARG 87 7.229 -12.322 -1.920 963 H MET 88 H MET 88 5.820 -6.694 -7.533 964 HA MET 88 HA MET 88 8.663 -6.934 -6.972 965 1HB MET 88 1HB MET 88 8.601 -6.718 -9.413 966 2HB MET 88 2HB MET 88 7.606 -5.276 -9.273 967 1HG MET 88 1HG MET 88 9.951 -4.758 -9.745 968 2HG MET 88 2HG MET 88 9.406 -4.080 -8.212 969 1HE MET 88 1HE MET 88 13.190 -4.932 -7.570 970 2HE MET 88 2HE MET 88 11.964 -3.664 -7.568 971 3HE MET 88 3HE MET 88 12.480 -4.389 -9.092 972 H ARG 89 H ARG 89 9.121 -5.619 -5.324 973 HA ARG 89 HA ARG 89 7.036 -3.764 -4.511 974 1HB ARG 89 1HB ARG 89 9.393 -4.865 -2.977 975 2HB ARG 89 2HB ARG 89 8.164 -3.794 -2.309 976 1HG ARG 89 1HG ARG 89 6.467 -5.532 -3.047 977 2HG ARG 89 2HG ARG 89 7.839 -6.607 -3.298 978 1HD ARG 89 1HD ARG 89 8.379 -6.622 -1.017 979 2HD ARG 89 2HD ARG 89 7.374 -5.209 -0.685 980 HE ARG 89 HE ARG 89 5.570 -6.971 -1.580 981 1HH1 ARG 89 1HH1 ARG 89 8.063 -7.250 0.855 982 2HH1 ARG 89 2HH1 ARG 89 7.197 -8.440 1.774 983 1HH2 ARG 89 1HH2 ARG 89 4.424 -8.516 -0.352 984 2HH2 ARG 89 2HH2 ARG 89 5.137 -9.156 1.102 985 H GLY 90 H GLY 90 7.953 -2.522 -6.465 986 1HA GLY 90 1HA GLY 90 10.255 -0.871 -5.847 987 2HA GLY 90 2HA GLY 90 9.247 -0.769 -7.285 988 H GLY 91 H GLY 91 10.220 1.019 -4.844 989 1HA GLY 91 1HA GLY 91 7.870 1.972 -3.596 990 2HA GLY 91 2HA GLY 91 9.420 2.795 -3.636 991 H ARG 92 H ARG 92 9.376 2.822 -6.638 992 HA ARG 92 HA ARG 92 7.150 4.689 -7.043 993 1HB ARG 92 1HB ARG 92 10.015 5.161 -7.862 994 2HB ARG 92 2HB ARG 92 8.658 6.090 -8.482 995 1HG ARG 92 1HG ARG 92 8.151 6.541 -5.981 996 2HG ARG 92 2HG ARG 92 9.830 6.055 -5.737 997 1HD ARG 92 1HD ARG 92 8.829 8.283 -7.505 998 2HD ARG 92 2HD ARG 92 9.694 8.458 -5.981 999 HE ARG 92 HE ARG 92 11.461 7.070 -7.417 1000 1HH1 ARG 92 1HH1 ARG 92 9.548 9.877 -8.261 1001 2HH1 ARG 92 2HH1 ARG 92 10.736 10.529 -9.351 1002 1HH2 ARG 92 1HH2 ARG 92 13.035 7.912 -8.869 1003 2HH2 ARG 92 2HH2 ARG 92 12.704 9.404 -9.710 1004 H ASN 93 H ASN 93 5.905 3.968 -8.553 1005 HA ASN 93 HA ASN 93 6.826 2.239 -10.660 1006 1HB ASN 93 1HB ASN 93 4.191 3.379 -9.810 1007 2HB ASN 93 2HB ASN 93 4.348 2.731 -11.437 1008 1HD2 ASN 93 1HD2 ASN 93 2.912 1.857 -8.925 1009 2HD2 ASN 93 2HD2 ASN 93 3.354 0.199 -8.744 1010 H LYS 94 H LYS 94 5.202 3.336 -12.810 1011 HA LYS 94 HA LYS 94 7.282 4.911 -13.929 1012 1HB LYS 94 1HB LYS 94 4.509 4.413 -15.016 1013 2HB LYS 94 2HB LYS 94 5.886 5.012 -15.928 1014 1HG LYS 94 1HG LYS 94 5.614 2.281 -14.681 1015 2HG LYS 94 2HG LYS 94 5.510 2.669 -16.396 1016 1HD LYS 94 1HD LYS 94 7.681 1.952 -16.284 1017 2HD LYS 94 2HD LYS 94 7.917 3.670 -15.963 1018 1HE LYS 94 1HE LYS 94 7.872 3.176 -13.536 1019 2HE LYS 94 2HE LYS 94 7.750 1.461 -13.915 1020 1HZ LYS 94 1HZ LYS 94 9.892 1.554 -14.989 1021 2HZ LYS 94 2HZ LYS 94 10.025 2.152 -13.404 1022 3HZ LYS 94 3HZ LYS 94 10.000 3.226 -14.716 1023 H PHE 95 H PHE 95 4.331 5.698 -12.304 1024 HA PHE 95 HA PHE 95 4.430 8.478 -13.148 1025 1HB PHE 95 1HB PHE 95 2.405 8.763 -11.800 1026 2HB PHE 95 2HB PHE 95 2.236 7.393 -12.890 1027 HD1 PHE 95 HD1 PHE 95 2.434 5.077 -11.979 1028 HD2 PHE 95 HD2 PHE 95 2.240 8.504 -9.466 1029 HE1 PHE 95 HE1 PHE 95 1.816 3.645 -10.078 1030 HE2 PHE 95 HE2 PHE 95 1.626 7.078 -7.560 1031 HZ PHE 95 HZ PHE 95 1.413 4.645 -7.865 1032 H GLY 96 H GLY 96 6.463 6.993 -11.414 1033 1HA GLY 96 1HA GLY 96 6.504 7.866 -8.795 1034 2HA GLY 96 2HA GLY 96 7.937 7.558 -9.759 1035 HA PRO 97 HA PRO 97 9.029 11.872 -10.252 1036 1HB PRO 97 1HB PRO 97 7.589 12.165 -12.851 1037 2HB PRO 97 2HB PRO 97 9.240 12.628 -12.420 1038 1HG PRO 97 1HG PRO 97 8.797 10.449 -13.868 1039 2HG PRO 97 2HG PRO 97 10.034 10.451 -12.598 1040 1HD PRO 97 1HD PRO 97 7.311 9.230 -12.592 1041 2HD PRO 97 2HD PRO 97 8.815 8.642 -11.853 1042 H MET 98 H MET 98 5.760 11.684 -11.758 1043 HA MET 98 HA MET 98 5.000 14.246 -10.820 1044 1HB MET 98 1HB MET 98 2.731 13.675 -11.488 1045 2HB MET 98 2HB MET 98 3.872 13.173 -12.725 1046 1HG MET 98 1HG MET 98 3.610 10.913 -12.206 1047 2HG MET 98 2HG MET 98 2.882 11.272 -10.642 1048 1HE MET 98 1HE MET 98 0.744 13.410 -11.144 1049 2HE MET 98 2HE MET 98 0.398 11.924 -10.257 1050 3HE MET 98 3HE MET 98 -0.682 12.454 -11.546 1051 H TYR 99 H TYR 99 4.730 11.043 -9.467 1052 HA TYR 99 HA TYR 99 2.863 11.531 -7.442 1053 1HB TYR 99 1HB TYR 99 3.730 9.294 -8.167 1054 2HB TYR 99 2HB TYR 99 5.234 9.655 -7.330 1055 HD1 TYR 99 HD1 TYR 99 5.428 9.355 -4.985 1056 HD2 TYR 99 HD2 TYR 99 1.623 9.061 -6.862 1057 HE1 TYR 99 HE1 TYR 99 4.484 8.425 -2.915 1058 HE2 TYR 99 HE2 TYR 99 0.670 8.132 -4.799 1059 HH TYR 99 HH TYR 99 2.348 8.160 -1.819 1060 H LYS 100 H LYS 100 6.401 11.763 -7.435 1061 HA LYS 100 HA LYS 100 6.610 12.637 -4.751 1062 1HB LYS 100 1HB LYS 100 8.480 12.798 -7.100 1063 2HB LYS 100 2HB LYS 100 8.893 13.492 -5.538 1064 1HG LYS 100 1HG LYS 100 8.567 11.257 -4.519 1065 2HG LYS 100 2HG LYS 100 8.314 10.603 -6.137 1066 1HD LYS 100 1HD LYS 100 10.618 10.257 -5.355 1067 2HD LYS 100 2HD LYS 100 10.557 11.281 -6.789 1068 1HE LYS 100 1HE LYS 100 10.533 12.596 -4.120 1069 2HE LYS 100 2HE LYS 100 12.047 11.894 -4.684 1070 1HZ LYS 100 1HZ LYS 100 10.496 13.727 -6.407 1071 2HZ LYS 100 2HZ LYS 100 12.145 13.346 -6.477 1072 3HZ LYS 100 3HZ LYS 100 11.552 14.329 -5.229 1073 H ARG 101 H ARG 101 6.293 14.342 -7.824 1074 HA ARG 101 HA ARG 101 6.814 16.930 -6.866 1075 1HB ARG 101 1HB ARG 101 4.998 16.082 -9.124 1076 2HB ARG 101 2HB ARG 101 5.527 17.729 -8.826 1077 1HG ARG 101 1HG ARG 101 7.889 16.883 -9.078 1078 2HG ARG 101 2HG ARG 101 7.184 15.377 -9.674 1079 1HD ARG 101 1HD ARG 101 6.839 18.130 -10.848 1080 2HD ARG 101 2HD ARG 101 7.762 16.797 -11.538 1081 HE ARG 101 HE ARG 101 4.830 16.675 -11.171 1082 1HH1 ARG 101 1HH1 ARG 101 7.718 16.169 -13.088 1083 2HH1 ARG 101 2HH1 ARG 101 6.852 15.567 -14.476 1084 1HH2 ARG 101 1HH2 ARG 101 3.683 15.883 -12.979 1085 2HH2 ARG 101 2HH2 ARG 101 4.547 15.399 -14.408 1086 H ASP 102 H ASP 102 3.710 15.233 -7.293 1087 HA ASP 102 HA ASP 102 2.097 17.316 -6.322 1088 1HB ASP 102 1HB ASP 102 1.217 15.371 -7.580 1089 2HB ASP 102 2HB ASP 102 1.536 14.345 -6.183 1090 H ARG 103 H ARG 103 3.589 14.562 -4.665 1091 HA ARG 103 HA ARG 103 2.476 15.071 -2.126 1092 1HB ARG 103 1HB ARG 103 3.566 12.937 -2.753 1093 2HB ARG 103 2HB ARG 103 5.122 13.755 -2.773 1094 1HG ARG 103 1HG ARG 103 4.813 12.511 -0.708 1095 2HG ARG 103 2HG ARG 103 4.902 14.246 -0.389 1096 1HD ARG 103 1HD ARG 103 2.409 14.292 -0.372 1097 2HD ARG 103 2HD ARG 103 2.424 12.536 -0.498 1098 HE ARG 103 HE ARG 103 3.919 12.904 1.677 1099 1HH1 ARG 103 1HH1 ARG 103 0.868 14.329 0.734 1100 2HH1 ARG 103 2HH1 ARG 103 0.306 14.553 2.363 1101 1HH2 ARG 103 1HH2 ARG 103 3.194 13.171 3.834 1102 2HH2 ARG 103 2HH2 ARG 103 1.636 13.892 4.124 1103 H ALA 104 H ALA 104 5.512 16.128 -3.620 1104 HA ALA 104 HA ALA 104 6.545 17.436 -1.342 1105 1HB ALA 104 1HB ALA 104 8.107 18.502 -2.875 1106 2HB ALA 104 2HB ALA 104 7.127 17.990 -4.249 1107 3HB ALA 104 3HB ALA 104 7.939 16.786 -3.248 1108 H LEU 105 H LEU 105 4.799 18.687 -4.173 1109 HA LEU 105 HA LEU 105 4.833 21.383 -3.287 1110 1HB LEU 105 1HB LEU 105 3.028 20.037 -5.294 1111 2HB LEU 105 2HB LEU 105 3.211 21.770 -5.091 1112 HG LEU 105 HG LEU 105 5.382 19.868 -5.973 1113 1HD1 LEU 105 1HD1 LEU 105 3.656 20.203 -7.665 1114 2HD1 LEU 105 2HD1 LEU 105 5.177 20.965 -8.133 1115 3HD1 LEU 105 3HD1 LEU 105 3.848 21.949 -7.519 1116 1HD2 LEU 105 1HD2 LEU 105 6.240 21.749 -4.671 1117 2HD2 LEU 105 2HD2 LEU 105 5.393 22.873 -5.734 1118 3HD2 LEU 105 3HD2 LEU 105 6.701 21.874 -6.369 1119 H LYS 106 H LYS 106 2.803 18.697 -2.606 1120 HA LYS 106 HA LYS 106 0.509 20.079 -1.696 1121 1HB LYS 106 1HB LYS 106 0.775 17.581 -2.175 1122 2HB LYS 106 2HB LYS 106 1.501 17.467 -0.578 1123 1HG LYS 106 1HG LYS 106 -0.555 18.349 0.413 1124 2HG LYS 106 2HG LYS 106 -1.283 18.436 -1.194 1125 1HD LYS 106 1HD LYS 106 -0.863 15.981 -1.416 1126 2HD LYS 106 2HD LYS 106 -0.378 15.971 0.279 1127 1HE LYS 106 1HE LYS 106 -2.653 15.299 0.208 1128 2HE LYS 106 2HE LYS 106 -2.623 16.950 0.824 1129 1HZ LYS 106 1HZ LYS 106 -3.217 16.175 -1.984 1130 2HZ LYS 106 2HZ LYS 106 -3.236 17.754 -1.367 1131 3HZ LYS 106 3HZ LYS 106 -4.371 16.617 -0.820 1132 H GLN 107 H GLN 107 3.520 19.112 -0.146 1133 HA GLN 107 HA GLN 107 2.636 20.208 2.409 1134 1HB GLN 107 1HB GLN 107 5.250 18.875 1.675 1135 2HB GLN 107 2HB GLN 107 4.735 19.308 3.299 1136 1HG GLN 107 1HG GLN 107 3.396 17.296 1.504 1137 2HG GLN 107 2HG GLN 107 4.455 16.929 2.862 1138 1HE2 GLN 107 1HE2 GLN 107 3.366 19.075 4.521 1139 2HE2 GLN 107 2HE2 GLN 107 1.807 18.532 5.035 1140 H GLN 108 H GLN 108 4.914 20.835 -0.174 1141 HA GLN 108 HA GLN 108 5.786 23.296 1.144 1142 1HB GLN 108 1HB GLN 108 6.829 22.058 -1.401 1143 2HB GLN 108 2HB GLN 108 7.552 23.387 -0.511 1144 1HG GLN 108 1HG GLN 108 8.036 21.902 1.351 1145 2HG GLN 108 2HG GLN 108 7.269 20.564 0.498 1146 1HE2 GLN 108 1HE2 GLN 108 9.124 19.324 0.482 1147 2HE2 GLN 108 2HE2 GLN 108 10.485 19.702 -0.522 1148 H LYS 109 H LYS 109 4.091 24.653 0.833 1149 HA LYS 109 HA LYS 109 3.044 24.960 -1.886 1150 1HB LYS 109 1HB LYS 109 1.130 26.086 -0.841 1151 2HB LYS 109 2HB LYS 109 1.367 24.474 -0.182 1152 1HG LYS 109 1HG LYS 109 2.461 25.448 1.784 1153 2HG LYS 109 2HG LYS 109 2.187 27.061 1.124 1154 1HD LYS 109 1HD LYS 109 0.013 25.071 1.765 1155 2HD LYS 109 2HD LYS 109 0.508 26.392 2.822 1156 1HE LYS 109 1HE LYS 109 -0.529 26.739 0.012 1157 2HE LYS 109 2HE LYS 109 -1.513 26.892 1.466 1158 1HZ LYS 109 1HZ LYS 109 0.042 28.673 2.190 1159 2HZ LYS 109 2HZ LYS 109 -0.853 29.055 0.807 1160 3HZ LYS 109 3HZ LYS 109 0.773 28.609 0.658 1161 H LYS 110 H LYS 110 2.333 27.242 -2.402 1162 HA LYS 110 HA LYS 110 4.614 28.981 -2.136 1163 1HB LYS 110 1HB LYS 110 2.948 28.622 -4.158 1164 2HB LYS 110 2HB LYS 110 2.005 29.850 -3.331 1165 1HG LYS 110 1HG LYS 110 4.888 30.276 -4.049 1166 2HG LYS 110 2HG LYS 110 3.580 30.608 -5.180 1167 1HD LYS 110 1HD LYS 110 3.826 31.835 -2.435 1168 2HD LYS 110 2HD LYS 110 4.354 32.610 -3.930 1169 1HE LYS 110 1HE LYS 110 2.040 32.461 -4.780 1170 2HE LYS 110 2HE LYS 110 1.540 31.773 -3.235 1171 1HZ LYS 110 1HZ LYS 110 1.070 34.113 -3.276 1172 2HZ LYS 110 2HZ LYS 110 2.676 34.484 -3.676 1173 3HZ LYS 110 3HZ LYS 110 2.310 33.822 -2.153 1174 H ALA 111 H ALA 111 4.811 30.712 -0.824 1175 HA ALA 111 HA ALA 111 2.556 31.285 0.982 1176 1HB ALA 111 1HB ALA 111 5.500 31.815 1.390 1177 2HB ALA 111 2HB ALA 111 4.583 30.488 2.102 1178 3HB ALA 111 3HB ALA 111 4.215 32.154 2.550 Start of MODEL 11 1 1H5* G 1 1H5* G 1 29.728 3.988 -0.776 2 2H5* G 1 2H5* G 1 28.900 2.422 -0.738 3 H4* G 1 H4* G 1 28.895 4.078 1.311 4 H3* G 1 H3* G 1 27.541 1.794 0.884 5 H1* G 1 H1* G 1 25.626 5.065 1.655 6 H8 G 1 H8 G 1 25.413 4.064 -2.086 7 H1 G 1 H1 G 1 21.782 9.035 -0.268 8 1H2 G 1 1H2 G 1 22.130 9.484 1.865 9 2H2 G 1 2H2 G 1 23.270 8.578 2.833 10 H5T G 1 H5T G 1 28.019 4.855 -1.905 11 1H2* G 1 1H2* G 1 25.658 2.711 -0.290 12 2H2* G 1 2H2* G 1 25.062 2.754 1.364 13 1H5* G 2 1H5* G 2 26.063 4.548 4.190 14 2H5* G 2 2H5* G 2 26.002 3.656 5.724 15 H4* G 2 H4* G 2 24.361 5.273 5.935 16 H3* G 2 H3* G 2 23.485 2.684 6.039 17 H1* G 2 H1* G 2 21.622 5.496 4.254 18 H8 G 2 H8 G 2 23.216 3.106 1.639 19 H1 G 2 H1 G 2 18.918 7.312 -0.610 20 1H2 G 2 1H2 G 2 18.194 8.603 1.024 21 2H2 G 2 2H2 G 2 18.763 8.430 2.671 22 1H2* G 2 1H2* G 2 22.521 2.594 3.847 23 2H2* G 2 2H2* G 2 21.145 3.169 4.776 24 1H5* C 3 1H5* C 3 20.920 6.165 7.958 25 2H5* C 3 2H5* C 3 19.799 5.562 9.195 26 H4* C 3 H4* C 3 18.988 7.549 7.964 27 H3* C 3 H3* C 3 17.433 5.529 8.839 28 H1* C 3 H1* C 3 17.120 6.819 5.218 29 1H4 C 3 1H4 C 3 18.465 3.049 0.319 30 2H4 C 3 2H4 C 3 19.598 2.112 1.266 31 H5 C 3 H5 C 3 20.015 2.525 3.611 32 H6 C 3 H6 C 3 19.451 3.938 5.518 33 1H2* C 3 1H2* C 3 17.388 4.230 6.821 34 2H2* C 3 2H2* C 3 15.958 5.229 6.599 35 1H5* T 4 1H5* T 4 15.487 8.883 6.386 36 2H5* T 4 2H5* T 4 14.688 9.743 7.719 37 H4* T 4 H4* T 4 13.588 10.552 5.872 38 H3* T 4 H3* T 4 11.984 9.225 7.543 39 1H2* T 4 1H2* T 4 12.010 7.058 6.547 40 2H2* T 4 2H2* T 4 10.656 7.758 5.669 41 H1* T 4 H1* T 4 11.921 8.173 3.733 42 H3 T 4 H3 T 4 13.682 4.596 1.726 43 1H5M T 4 1H5M T 4 15.785 3.561 5.972 44 2H5M T 4 2H5M T 4 14.455 4.065 7.043 45 3H5M T 4 3H5M T 4 14.259 2.643 5.989 46 H6 T 4 H6 T 4 13.587 6.072 6.260 47 1H5* C 5 1H5* C 5 10.762 9.268 3.852 48 2H5* C 5 2H5* C 5 9.470 10.320 3.240 49 H4* C 5 H4* C 5 9.146 8.654 1.801 50 H3* C 5 H3* C 5 7.341 8.280 3.939 51 H1* C 5 H1* C 5 9.160 5.736 1.772 52 1H4 C 5 1H4 C 5 12.545 0.971 4.181 53 2H4 C 5 2H4 C 5 12.305 1.530 5.825 54 H5 C 5 H5 C 5 11.089 3.569 6.353 55 H6 C 5 H6 C 5 9.863 5.459 5.416 56 1H2* C 5 1H2* C 5 8.150 6.172 4.632 57 2H2* C 5 2H2* C 5 7.229 5.617 3.241 58 1H5* A 6 1H5* A 6 6.767 7.279 -0.567 59 2H5* A 6 2H5* A 6 5.105 7.873 -0.778 60 H4* A 6 H4* A 6 5.509 6.559 -2.658 61 H3* A 6 H3* A 6 3.411 5.839 -1.179 62 H1* A 6 H1* A 6 6.065 3.035 -2.041 63 H8 A 6 H8 A 6 6.729 4.909 1.297 64 1H6 A 6 1H6 A 6 9.758 -0.222 2.967 65 2H6 A 6 2H6 A 6 9.281 1.391 3.451 66 H2 A 6 H2 A 6 8.093 -0.863 -1.158 67 1H2* A 6 1H2* A 6 4.394 4.172 0.210 68 2H2* A 6 2H2* A 6 3.904 3.158 -1.140 69 1H5* G 7 1H5* G 7 4.361 3.304 -4.347 70 2H5* G 7 2H5* G 7 3.389 2.800 -5.747 71 H4* G 7 H4* G 7 4.582 0.902 -5.175 72 H3* G 7 H3* G 7 1.794 0.771 -4.779 73 H1* G 7 H1* G 7 4.627 -0.896 -2.826 74 H8 G 7 H8 G 7 2.795 1.719 -0.608 75 H1 G 7 H1 G 7 6.416 -2.599 2.479 76 1H2 G 7 1H2 G 7 7.348 -3.971 1.024 77 2H2 G 7 2H2 G 7 7.079 -3.824 -0.698 78 1H2* G 7 1H2* G 7 1.838 0.318 -2.459 79 2H2* G 7 2H2* G 7 2.250 -1.300 -3.009 80 1H5* G 8 1H5* G 8 4.357 -3.115 -3.601 81 2H5* G 8 2H5* G 8 4.300 -3.155 -5.374 82 H4* G 8 H4* G 8 4.753 -5.319 -5.079 83 H3* G 8 H3* G 8 2.197 -5.244 -5.732 84 H1* G 8 H1* G 8 2.975 -6.897 -2.150 85 H8 G 8 H8 G 8 1.048 -3.671 -2.289 86 H1 G 8 H1 G 8 4.045 -4.692 3.297 87 1H2 G 8 1H2 G 8 5.435 -6.396 3.102 88 2H2 G 8 2H2 G 8 5.635 -7.267 1.597 89 1H2* G 8 1H2* G 8 1.156 -5.012 -3.610 90 2H2* G 8 2H2* G 8 1.225 -6.767 -3.669 91 1H5* G 9 1H5* G 9 4.157 -7.682 -2.746 92 2H5* G 9 2H5* G 9 4.532 -9.043 -3.822 93 H4* G 9 H4* G 9 5.007 -10.012 -1.844 94 H3* G 9 H3* G 9 2.770 -11.094 -2.843 95 H1* G 9 H1* G 9 2.776 -9.878 0.883 96 H8 G 9 H8 G 9 0.860 -7.629 -1.605 97 H1 G 9 H1 G 9 0.558 -5.852 4.557 98 1H2 G 9 1H2 G 9 1.825 -7.165 5.790 99 2H2 G 9 2H2 G 9 2.748 -8.483 5.105 100 1H2* G 9 1H2* G 9 1.139 -9.790 -1.679 101 2H2* G 9 2H2* G 9 1.336 -11.115 -0.539 102 1H5* C 10 1H5* C 10 4.316 -13.137 1.145 103 2H5* C 10 2H5* C 10 3.987 -14.882 1.121 104 H4* C 10 H4* C 10 3.702 -14.016 3.341 105 H3* C 10 H3* C 10 1.805 -15.601 2.140 106 H1* C 10 H1* C 10 0.963 -12.475 4.282 107 1H4 C 10 1H4 C 10 -2.268 -7.715 1.639 108 2H4 C 10 2H4 C 10 -2.135 -8.421 0.044 109 H5 C 10 H5 C 10 -0.947 -10.483 -0.386 110 H6 C 10 H6 C 10 0.347 -12.285 0.623 111 1H2* C 10 1H2* C 10 0.133 -13.966 1.753 112 2H2* C 10 2H2* C 10 -0.254 -14.339 3.427 113 1H5* C 11 1H5* C 11 1.378 -12.987 5.968 114 2H5* C 11 2H5* C 11 2.100 -14.450 6.669 115 H4* C 11 H4* C 11 1.532 -13.356 8.569 116 H3* C 11 H3* C 11 0.014 -15.520 8.298 117 H1* C 11 H1* C 11 -1.948 -12.048 8.691 118 1H4 C 11 1H4 C 11 -4.544 -10.012 3.296 119 2H4 C 11 2H4 C 11 -3.816 -11.309 2.377 120 H5 C 11 H5 C 11 -2.367 -12.974 3.373 121 H6 C 11 H6 C 11 -1.301 -13.707 5.437 122 1H2* C 11 1H2* C 11 -1.894 -14.650 7.190 123 2H2* C 11 2H2* C 11 -2.389 -14.323 8.845 124 1H5* A 12 1H5* A 12 -1.339 -13.124 12.552 125 2H5* A 12 2H5* A 12 -2.104 -14.428 13.482 126 H4* A 12 H4* A 12 -3.284 -12.214 13.486 127 H3* A 12 H3* A 12 -4.433 -14.683 13.641 128 H1* A 12 H1* A 12 -5.745 -11.874 11.445 129 H8 A 12 H8 A 12 -3.925 -14.443 9.148 130 1H6 A 12 1H6 A 12 -6.910 -11.573 4.534 131 2H6 A 12 2H6 A 12 -5.790 -12.856 4.940 132 H2 A 12 H2 A 12 -8.054 -9.589 8.390 133 1H2* A 12 1H2* A 12 -5.067 -14.864 11.331 134 2H2* A 12 2H2* A 12 -6.508 -14.121 12.013 135 1H5* C 13 1H5* C 13 -7.022 -10.813 14.126 136 2H5* C 13 2H5* C 13 -7.696 -11.039 15.756 137 H4* C 13 H4* C 13 -9.134 -9.536 14.717 138 H3* C 13 H3* C 13 -10.251 -11.824 15.596 139 H1* C 13 H1* C 13 -11.008 -10.606 11.924 140 1H4 C 13 1H4 C 13 -8.756 -14.200 7.228 141 2H4 C 13 2H4 C 13 -7.764 -15.132 8.327 142 H5 C 13 H5 C 13 -7.673 -14.704 10.703 143 H6 C 13 H6 C 13 -8.505 -13.293 12.509 144 1H2* C 13 1H2* C 13 -10.361 -13.065 13.574 145 2H2* C 13 2H2* C 13 -11.877 -12.186 13.429 146 1H5* A 14 1H5* A 14 -12.903 -8.366 14.439 147 2H5* A 14 2H5* A 14 -14.319 -8.043 15.463 148 H4* A 14 H4* A 14 -14.861 -7.392 13.256 149 H3* A 14 H3* A 14 -16.546 -9.033 14.554 150 H1* A 14 H1* A 14 -15.524 -9.806 10.916 151 H8 A 14 H8 A 14 -13.611 -12.053 13.441 152 1H6 A 14 1H6 A 14 -11.898 -15.307 8.462 153 2H6 A 14 2H6 A 14 -11.807 -15.190 10.204 154 H2 A 14 H2 A 14 -14.365 -11.820 7.071 155 1H2* A 14 1H2* A 14 -15.725 -11.114 13.671 156 2H2* A 14 2H2* A 14 -17.025 -10.757 12.542 157 1H5* G 15 1H5* G 15 -16.953 -8.019 10.142 158 2H5* G 15 2H5* G 15 -17.877 -6.604 10.683 159 H4* G 15 H4* G 15 -18.241 -6.344 8.493 160 H3* G 15 H3* G 15 -20.510 -7.245 9.488 161 H1* G 15 H1* G 15 -18.857 -9.644 6.679 162 H8 G 15 H8 G 15 -18.000 -10.023 10.441 163 H1 G 15 H1 G 15 -16.526 -15.024 6.700 164 1H2 G 15 1H2 G 15 -17.093 -14.610 4.619 165 2H2 G 15 2H2 G 15 -17.839 -13.104 4.132 166 H3T G 15 H3T G 15 -21.261 -7.227 7.190 167 1H2* G 15 1H2* G 15 -20.265 -9.590 9.310 168 2H2* G 15 2H2* G 15 -20.904 -9.299 7.697 169 1H5* C 16 1H5* C 16 -16.579 -22.825 4.891 170 2H5* C 16 2H5* C 16 -15.036 -23.079 4.057 171 H4* C 16 H4* C 16 -16.765 -21.553 2.975 172 H3* C 16 H3* C 16 -14.090 -21.583 2.622 173 H1* C 16 H1* C 16 -15.897 -18.242 3.566 174 1H4 C 16 1H4 C 16 -14.708 -15.699 9.243 175 2H4 C 16 2H4 C 16 -13.902 -17.149 9.799 176 H5 C 16 H5 C 16 -13.642 -19.120 8.423 177 H6 C 16 H6 C 16 -14.117 -20.108 6.246 178 H5T C 16 H5T C 16 -15.561 -21.347 6.247 179 1H2* C 16 1H2* C 16 -13.449 -19.930 4.210 180 2H2* C 16 2H2* C 16 -13.741 -18.890 2.823 181 1H5* T 17 1H5* T 17 -16.411 -17.960 1.066 182 2H5* T 17 2H5* T 17 -15.984 -17.658 -0.630 183 H4* T 17 H4* T 17 -16.464 -15.575 0.345 184 H3* T 17 H3* T 17 -13.974 -15.971 -0.806 185 1H2* T 17 1H2* T 17 -12.650 -15.850 1.157 186 2H2* T 17 2H2* T 17 -12.845 -14.124 0.882 187 H1* T 17 H1* T 17 -14.689 -13.945 2.409 188 H3 T 17 H3 T 17 -13.096 -14.226 6.569 189 1H5M T 17 1H5M T 17 -10.732 -18.060 5.707 190 2H5M T 17 2H5M T 17 -10.804 -18.219 3.936 191 3H5M T 17 3H5M T 17 -12.076 -18.945 4.948 192 H6 T 17 H6 T 17 -12.778 -17.098 2.775 193 1H5* G 18 1H5* G 18 -15.780 -12.032 -0.198 194 2H5* G 18 2H5* G 18 -15.668 -10.733 -1.405 195 H4* G 18 H4* G 18 -15.710 -9.697 0.707 196 H3* G 18 H3* G 18 -13.550 -9.240 -0.960 197 H1* G 18 H1* G 18 -13.423 -9.603 2.845 198 H8 G 18 H8 G 18 -11.773 -12.684 1.139 199 H1 G 18 H1 G 18 -10.639 -11.956 7.420 200 1H2 G 18 1H2 G 18 -11.696 -10.170 8.173 201 2H2 G 18 2H2 G 18 -12.675 -9.161 7.130 202 1H2* G 18 1H2* G 18 -11.908 -10.405 0.307 203 2H2* G 18 2H2* G 18 -11.862 -8.863 1.154 204 1H5* T 19 1H5* T 19 -13.591 -8.518 3.627 205 2H5* T 19 2H5* T 19 -14.620 -7.227 2.971 206 H4* T 19 H4* T 19 -14.355 -6.485 5.103 207 H3* T 19 H3* T 19 -13.157 -4.836 3.424 208 1H2* T 19 1H2* T 19 -10.955 -5.709 3.315 209 2H2* T 19 2H2* T 19 -10.738 -4.685 4.728 210 H1* T 19 H1* T 19 -10.712 -6.466 6.194 211 H3 T 19 H3 T 19 -8.248 -10.145 5.523 212 1H5M T 19 1H5M T 19 -9.596 -8.250 0.723 213 2H5M T 19 2H5M T 19 -8.536 -9.661 0.951 214 3H5M T 19 3H5M T 19 -10.303 -9.867 0.949 215 H6 T 19 H6 T 19 -10.853 -7.382 2.650 216 1H5* G 20 1H5* G 20 -12.067 -4.182 7.518 217 2H5* G 20 2H5* G 20 -12.083 -2.594 8.313 218 H4* G 20 H4* G 20 -10.147 -3.470 9.126 219 H3* G 20 H3* G 20 -9.695 -1.480 7.178 220 H1* G 20 H1* G 20 -7.684 -4.589 8.034 221 H8 G 20 H8 G 20 -8.976 -4.789 4.371 222 H1 G 20 H1 G 20 -4.624 -9.177 6.119 223 1H2 G 20 1H2 G 20 -4.083 -8.892 8.244 224 2H2 G 20 2H2 G 20 -4.794 -7.627 9.222 225 1H2* G 20 1H2* G 20 -8.497 -2.837 5.655 226 2H2* G 20 2H2* G 20 -7.187 -2.566 6.797 227 1H5* G 21 1H5* G 21 -6.750 -4.504 8.877 228 2H5* G 21 2H5* G 21 -7.081 -3.410 10.235 229 H4* G 21 H4* G 21 -5.342 -4.472 11.157 230 H3* G 21 H3* G 21 -4.459 -2.074 10.418 231 H1* G 21 H1* G 21 -2.422 -5.197 9.201 232 H8 G 21 H8 G 21 -4.654 -3.539 6.519 233 H1 G 21 H1 G 21 -1.234 -8.610 4.573 234 1H2 G 21 1H2 G 21 -0.161 -9.500 6.281 235 2H2 G 21 2H2 G 21 -0.278 -8.845 7.899 236 1H2* G 21 1H2* G 21 -3.668 -2.608 8.218 237 2H2* G 21 2H2* G 21 -2.195 -2.838 9.149 238 1H5* C 22 1H5* C 22 -1.798 -4.905 12.257 239 2H5* C 22 2H5* C 22 -0.885 -4.510 13.727 240 H4* C 22 H4* C 22 0.430 -6.109 12.752 241 H3* C 22 H3* C 22 1.574 -3.622 12.817 242 H1* C 22 H1* C 22 1.823 -6.001 9.775 243 1H4 C 22 1H4 C 22 -0.404 -4.138 4.154 244 2H4 C 22 2H4 C 22 -1.199 -2.750 4.856 245 H5 C 22 H5 C 22 -1.214 -2.299 7.228 246 H6 C 22 H6 C 22 -0.405 -3.049 9.401 247 1H2* C 22 1H2* C 22 1.384 -3.070 10.513 248 2H2* C 22 2H2* C 22 2.893 -3.971 10.455 249 1H5* C 23 1H5* C 23 3.003 -7.500 10.143 250 2H5* C 23 2H5* C 23 4.225 -7.736 11.410 251 H4* C 23 H4* C 23 5.079 -8.834 9.544 252 H3* C 23 H3* C 23 6.637 -6.926 10.578 253 H1* C 23 H1* C 23 5.938 -6.840 6.723 254 1H4 C 23 1H4 C 23 2.244 -2.284 4.389 255 2H4 C 23 2H4 C 23 1.824 -1.700 5.984 256 H5 C 23 H5 C 23 2.632 -2.744 8.021 257 H6 C 23 H6 C 23 3.992 -4.555 8.928 258 1H2* C 23 1H2* C 23 5.980 -5.084 9.202 259 2H2* C 23 2H2* C 23 7.332 -5.701 8.261 260 1H5* C 24 1H5* C 24 7.830 -9.107 6.285 261 2H5* C 24 2H5* C 24 9.355 -9.683 6.989 262 H4* C 24 H4* C 24 9.627 -9.704 4.655 263 H3* C 24 H3* C 24 11.451 -8.385 6.116 264 H1* C 24 H1* C 24 9.778 -6.481 3.057 265 1H4 C 24 1H4 C 24 5.796 -1.808 4.614 266 2H4 C 24 2H4 C 24 5.990 -2.124 6.322 267 H5 C 24 H5 C 24 7.381 -3.912 7.179 268 H6 C 24 H6 C 24 8.839 -5.771 6.572 269 1H2* C 24 1H2* C 24 10.682 -6.155 5.919 270 2H2* C 24 2H2* C 24 11.638 -6.220 4.446 271 1H5* T 25 1H5* T 25 10.322 -7.388 1.865 272 2H5* T 25 2H5* T 25 11.238 -8.900 1.720 273 H4* T 25 H4* T 25 10.992 -8.520 -0.467 274 H3* T 25 H3* T 25 13.515 -7.917 0.104 275 1H2* T 25 1H2* T 25 13.475 -5.594 0.490 276 2H2* T 25 2H2* T 25 13.522 -5.500 -1.266 277 H1* T 25 H1* T 25 11.330 -4.842 -1.423 278 H3 T 25 H3 T 25 9.425 -1.765 1.213 279 1H5M T 25 1H5M T 25 13.121 -4.401 4.102 280 2H5M T 25 2H5M T 25 12.488 -2.808 4.577 281 3H5M T 25 3H5M T 25 11.533 -4.275 4.894 282 H6 T 25 H6 T 25 12.505 -5.317 2.009 283 1H5* G 26 1H5* G 26 11.495 -6.104 -2.934 284 2H5* G 26 2H5* G 26 11.952 -6.382 -4.628 285 H4* G 26 H4* G 26 10.992 -4.310 -4.726 286 H3* G 26 H3* G 26 13.746 -4.291 -5.129 287 H1* G 26 H1* G 26 11.662 -1.631 -3.288 288 H8 G 26 H8 G 26 13.871 -3.654 -0.813 289 H1 G 26 H1 G 26 11.422 1.851 1.404 290 1H2 G 26 1H2 G 26 10.263 2.853 -0.187 291 2H2 G 26 2H2 G 26 10.092 2.166 -1.788 292 1H2* G 26 1H2* G 26 14.365 -3.062 -3.204 293 2H2* G 26 2H2* G 26 13.882 -1.704 -4.213 294 1H5* A 27 1H5* A 27 11.159 -0.097 -4.873 295 2H5* A 27 2H5* A 27 10.982 -0.585 -6.571 296 H4* A 27 H4* A 27 10.571 1.586 -6.879 297 H3* A 27 H3* A 27 13.062 1.169 -7.734 298 H1* A 27 H1* A 27 12.632 3.964 -4.841 299 H8 A 27 H8 A 27 14.228 0.522 -4.201 300 1H6 A 27 1H6 A 27 14.686 2.358 1.690 301 2H6 A 27 2H6 A 27 15.109 1.115 0.531 302 H2 A 27 H2 A 27 12.349 5.462 -0.558 303 1H2* A 27 1H2* A 27 14.384 1.784 -5.885 304 2H2* A 27 2H2* A 27 14.126 3.410 -6.502 305 1H5* G 28 1H5* G 28 11.657 4.369 -6.051 306 2H5* G 28 2H5* G 28 10.842 5.403 -7.241 307 H4* G 28 H4* G 28 10.681 6.741 -5.441 308 H3* G 28 H3* G 28 12.486 7.766 -7.166 309 H1* G 28 H1* G 28 13.268 7.560 -3.373 310 H8 G 28 H8 G 28 15.078 4.799 -5.418 311 H1 G 28 H1 G 28 16.916 5.479 0.697 312 1H2 G 28 1H2 G 28 15.732 7.067 1.666 313 2H2 G 28 2H2 G 28 14.488 7.957 0.816 314 1H2* G 28 1H2* G 28 14.489 6.989 -6.110 315 2H2* G 28 2H2* G 28 14.294 8.536 -5.295 316 1H5* C 29 1H5* C 29 11.711 10.610 -3.345 317 2H5* C 29 2H5* C 29 12.053 12.298 -3.774 318 H4* C 29 H4* C 29 12.945 11.622 -1.581 319 H3* C 29 H3* C 29 14.296 13.172 -3.467 320 H1* C 29 H1* C 29 15.771 10.523 -1.126 321 1H4 C 29 1H4 C 29 19.277 5.749 -3.355 322 2H4 C 29 2H4 C 29 18.630 5.928 -4.971 323 H5 C 29 H5 C 29 16.999 7.627 -5.554 324 H6 C 29 H6 C 29 15.656 9.476 -4.702 325 1H2* C 29 1H2* C 29 16.029 11.633 -3.969 326 2H2* C 29 2H2* C 29 16.701 12.289 -2.482 327 1H5* C 30 1H5* C 30 15.750 13.163 1.292 328 2H5* C 30 2H5* C 30 15.741 14.935 1.402 329 H4* C 30 H4* C 30 17.274 14.116 3.010 330 H3* C 30 H3* C 30 18.084 16.036 1.344 331 H1* C 30 H1* C 30 20.335 12.840 1.694 332 1H4 C 30 1H4 C 30 20.544 8.786 -3.160 333 2H4 C 30 2H4 C 30 19.412 9.744 -4.089 334 H5 C 30 H5 C 30 18.377 11.753 -3.232 335 H6 C 30 H6 C 30 18.223 13.260 -1.322 336 H3T C 30 H3T C 30 19.537 14.621 3.319 337 1H2* C 30 1H2* C 30 19.099 14.706 -0.359 338 2H2* C 30 2H2* C 30 20.493 14.970 0.684 339 1H ASP 10 1H ASP 10 -7.383 15.488 9.920 340 HA ASP 10 HA ASP 10 -5.237 17.094 8.870 341 1HB ASP 10 1HB ASP 10 -3.968 15.441 10.119 342 2HB ASP 10 2HB ASP 10 -4.845 14.137 9.329 343 H GLU 11 H GLU 11 -6.285 13.845 8.054 344 HA GLU 11 HA GLU 11 -7.654 14.863 5.681 345 1HB GLU 11 1HB GLU 11 -5.345 12.941 5.701 346 2HB GLU 11 2HB GLU 11 -6.525 12.917 4.407 347 1HG GLU 11 1HG GLU 11 -4.829 15.267 5.182 348 2HG GLU 11 2HG GLU 11 -4.559 14.189 3.813 349 H LEU 12 H LEU 12 -8.991 13.276 4.628 350 HA LEU 12 HA LEU 12 -9.570 10.855 6.189 351 1HB LEU 12 1HB LEU 12 -11.585 12.752 4.972 352 2HB LEU 12 2HB LEU 12 -11.980 11.143 5.540 353 HG LEU 12 HG LEU 12 -10.940 13.395 7.265 354 1HD1 LEU 12 1HD1 LEU 12 -13.195 13.420 8.203 355 2HD1 LEU 12 2HD1 LEU 12 -13.697 12.193 7.038 356 3HD1 LEU 12 3HD1 LEU 12 -13.212 13.795 6.479 357 1HD2 LEU 12 1HD2 LEU 12 -10.253 11.199 8.082 358 2HD2 LEU 12 2HD2 LEU 12 -11.922 10.636 7.998 359 3HD2 LEU 12 3HD2 LEU 12 -11.477 11.910 9.134 360 H CYS 13 H CYS 13 -10.210 9.071 4.934 361 HA CYS 13 HA CYS 13 -9.132 8.988 2.308 362 1HB CYS 13 1HB CYS 13 -9.175 6.996 3.726 363 2HB CYS 13 2HB CYS 13 -10.935 7.025 3.743 364 HG CYS 13 HG CYS 13 -10.676 5.052 2.017 365 HA PRO 14 HA PRO 14 -12.689 10.874 0.401 366 1HB PRO 14 1HB PRO 14 -11.791 10.706 -2.160 367 2HB PRO 14 2HB PRO 14 -11.214 11.918 -1.012 368 1HG PRO 14 1HG PRO 14 -9.955 9.325 -1.824 369 2HG PRO 14 2HG PRO 14 -9.199 10.914 -1.596 370 1HD PRO 14 1HD PRO 14 -9.063 8.971 0.274 371 2HD PRO 14 2HD PRO 14 -9.132 10.692 0.701 372 H VAL 15 H VAL 15 -11.653 7.676 0.110 373 HA VAL 15 HA VAL 15 -13.657 6.893 -1.831 374 HB VAL 15 HB VAL 15 -11.742 5.202 -0.214 375 1HG1 VAL 15 1HG1 VAL 15 -12.308 3.408 -1.797 376 2HG1 VAL 15 2HG1 VAL 15 -13.537 4.448 -2.517 377 3HG1 VAL 15 3HG1 VAL 15 -13.702 3.916 -0.843 378 1HG2 VAL 15 1HG2 VAL 15 -10.589 6.654 -1.781 379 2HG2 VAL 15 2HG2 VAL 15 -11.642 6.109 -3.086 380 3HG2 VAL 15 3HG2 VAL 15 -10.518 4.979 -2.330 381 H CYS 16 H CYS 16 -12.985 6.206 1.618 382 HA CYS 16 HA CYS 16 -15.711 5.104 1.794 383 1HB CYS 16 1HB CYS 16 -14.834 3.678 3.619 384 2HB CYS 16 2HB CYS 16 -14.036 3.391 2.075 385 HG CYS 16 HG CYS 16 -12.695 4.033 4.944 386 H GLY 17 H GLY 17 -13.658 7.561 3.001 387 1HA GLY 17 1HA GLY 17 -14.265 9.289 4.442 388 2HA GLY 17 2HA GLY 17 -15.713 8.392 4.870 389 H ASP 18 H ASP 18 -12.683 6.757 5.026 390 HA ASP 18 HA ASP 18 -12.789 6.850 7.959 391 1HB ASP 18 1HB ASP 18 -11.460 4.898 6.073 392 2HB ASP 18 2HB ASP 18 -11.205 4.883 7.814 393 H LYS 19 H LYS 19 -10.274 6.272 8.696 394 HA LYS 19 HA LYS 19 -8.856 8.703 8.217 395 1HB LYS 19 1HB LYS 19 -7.926 6.170 9.589 396 2HB LYS 19 2HB LYS 19 -7.128 7.737 9.669 397 1HG LYS 19 1HG LYS 19 -9.843 7.035 10.758 398 2HG LYS 19 2HG LYS 19 -8.380 7.383 11.682 399 1HD LYS 19 1HD LYS 19 -8.373 9.663 10.907 400 2HD LYS 19 2HD LYS 19 -9.730 9.338 9.824 401 1HE LYS 19 1HE LYS 19 -11.122 8.805 11.790 402 2HE LYS 19 2HE LYS 19 -9.769 9.239 12.835 403 1HZ LYS 19 1HZ LYS 19 -11.323 11.061 12.620 404 2HZ LYS 19 2HZ LYS 19 -11.145 11.059 10.935 405 3HZ LYS 19 3HZ LYS 19 -9.837 11.480 11.923 406 H VAL 20 H VAL 20 -6.401 8.502 7.675 407 HA VAL 20 HA VAL 20 -6.230 6.846 5.245 408 HB VAL 20 HB VAL 20 -4.764 8.481 4.263 409 1HG1 VAL 20 1HG1 VAL 20 -7.196 9.788 5.470 410 2HG1 VAL 20 2HG1 VAL 20 -7.146 8.841 3.984 411 3HG1 VAL 20 3HG1 VAL 20 -6.297 10.384 4.073 412 1HG2 VAL 20 1HG2 VAL 20 -3.568 9.234 6.239 413 2HG2 VAL 20 2HG2 VAL 20 -5.024 10.027 6.840 414 3HG2 VAL 20 3HG2 VAL 20 -4.246 10.611 5.368 415 H SER 21 H SER 21 -4.082 6.123 4.626 416 HA SER 21 HA SER 21 -2.441 5.472 6.983 417 1HB SER 21 1HB SER 21 -3.493 3.544 5.817 418 2HB SER 21 2HB SER 21 -2.674 4.014 4.331 419 HG SER 21 HG SER 21 -1.102 3.631 6.605 420 H GLY 22 H GLY 22 -2.517 7.740 4.818 421 1HA GLY 22 1HA GLY 22 -0.492 9.121 4.621 422 2HA GLY 22 2HA GLY 22 0.375 7.640 4.236 423 H TYR 23 H TYR 23 0.967 9.157 2.388 424 HA TYR 23 HA TYR 23 -1.050 9.550 0.367 425 1HB TYR 23 1HB TYR 23 1.278 10.838 0.985 426 2HB TYR 23 2HB TYR 23 1.789 9.854 -0.382 427 HD1 TYR 23 HD1 TYR 23 -0.127 12.731 0.692 428 HD2 TYR 23 HD2 TYR 23 0.691 10.166 -2.598 429 HE1 TYR 23 HE1 TYR 23 -1.082 14.401 -0.838 430 HE2 TYR 23 HE2 TYR 23 -0.261 11.828 -4.139 431 HH TYR 23 HH TYR 23 -1.841 13.711 -4.073 432 H HIS 24 H HIS 24 -1.755 7.781 -0.672 433 HA HIS 24 HA HIS 24 0.254 5.968 -1.819 434 1HB HIS 24 1HB HIS 24 -2.293 5.036 -0.473 435 2HB HIS 24 2HB HIS 24 -1.117 4.011 -1.285 436 HD1 HIS 24 HD1 HIS 24 1.353 4.027 -0.094 437 HD2 HIS 24 HD2 HIS 24 -1.873 5.340 2.174 438 HE1 HIS 24 HE1 HIS 24 2.119 3.905 2.302 439 HE2 HIS 24 HE2 HIS 24 0.111 4.593 3.663 440 H TYR 25 H TYR 25 -0.045 5.612 -3.901 441 HA TYR 25 HA TYR 25 -0.972 5.312 -5.936 442 1HB TYR 25 1HB TYR 25 -3.570 5.075 -4.406 443 2HB TYR 25 2HB TYR 25 -3.357 4.669 -6.104 444 HD1 TYR 25 HD1 TYR 25 -2.863 3.591 -2.675 445 HD2 TYR 25 HD2 TYR 25 -1.969 2.702 -6.740 446 HE1 TYR 25 HE1 TYR 25 -2.217 1.312 -2.028 447 HE2 TYR 25 HE2 TYR 25 -1.319 0.415 -6.100 448 HH TYR 25 HH TYR 25 -0.628 -0.858 -4.197 449 H GLY 26 H GLY 26 -1.023 8.022 -4.420 450 1HA GLY 26 1HA GLY 26 -1.065 10.005 -5.834 451 2HA GLY 26 2HA GLY 26 -2.536 9.380 -6.557 452 H LEU 27 H LEU 27 -3.116 8.657 -3.500 453 HA LEU 27 HA LEU 27 -3.945 11.343 -2.669 454 1HB LEU 27 1HB LEU 27 -5.813 8.989 -2.939 455 2HB LEU 27 2HB LEU 27 -6.198 10.438 -2.036 456 HG LEU 27 HG LEU 27 -5.627 11.561 -4.401 457 1HD1 LEU 27 1HD1 LEU 27 -5.124 9.466 -5.518 458 2HD1 LEU 27 2HD1 LEU 27 -6.588 10.188 -6.191 459 3HD1 LEU 27 3HD1 LEU 27 -6.708 8.829 -5.073 460 1HD2 LEU 27 1HD2 LEU 27 -8.050 11.567 -4.810 461 2HD2 LEU 27 2HD2 LEU 27 -7.655 11.894 -3.122 462 3HD2 LEU 27 3HD2 LEU 27 -8.242 10.299 -3.596 463 H LEU 28 H LEU 28 -5.011 11.206 -0.423 464 HA LEU 28 HA LEU 28 -3.378 9.559 1.307 465 1HB LEU 28 1HB LEU 28 -5.623 11.496 1.913 466 2HB LEU 28 2HB LEU 28 -4.755 10.603 3.139 467 HG LEU 28 HG LEU 28 -3.874 12.805 3.104 468 1HD1 LEU 28 1HD1 LEU 28 -1.979 10.967 1.658 469 2HD1 LEU 28 2HD1 LEU 28 -2.223 11.063 3.402 470 3HD1 LEU 28 3HD1 LEU 28 -1.529 12.432 2.533 471 1HD2 LEU 28 1HD2 LEU 28 -2.924 13.848 1.111 472 2HD2 LEU 28 2HD2 LEU 28 -4.643 13.510 0.911 473 3HD2 LEU 28 3HD2 LEU 28 -3.445 12.471 0.141 474 H THR 29 H THR 29 -3.892 7.456 1.308 475 HA THR 29 HA THR 29 -6.738 6.744 1.515 476 HB THR 29 HB THR 29 -6.102 4.669 0.164 477 HG1 THR 29 HG1 THR 29 -4.102 6.093 -1.100 478 1HG2 THR 29 1HG2 THR 29 -6.371 5.838 -1.981 479 2HG2 THR 29 2HG2 THR 29 -6.008 7.372 -1.190 480 3HG2 THR 29 3HG2 THR 29 -7.467 6.481 -0.758 481 H CYS 30 H CYS 30 -7.211 4.786 2.609 482 HA CYS 30 HA CYS 30 -5.235 4.144 4.661 483 1HB CYS 30 1HB CYS 30 -7.317 2.914 5.629 484 2HB CYS 30 2HB CYS 30 -7.242 4.671 5.699 485 HG CYS 30 HG CYS 30 -9.614 4.870 4.761 486 H GLU 31 H GLU 31 -5.002 1.887 5.355 487 HA GLU 31 HA GLU 31 -4.424 0.235 3.107 488 1HB GLU 31 1HB GLU 31 -3.071 0.370 5.231 489 2HB GLU 31 2HB GLU 31 -4.341 -0.559 6.015 490 1HG GLU 31 1HG GLU 31 -2.541 -2.020 5.396 491 2HG GLU 31 2HG GLU 31 -3.958 -2.390 4.418 492 H SER 32 H SER 32 -7.251 0.724 4.856 493 HA SER 32 HA SER 32 -8.343 -1.901 4.582 494 1HB SER 32 1HB SER 32 -10.536 -0.690 4.962 495 2HB SER 32 2HB SER 32 -9.331 -0.470 6.230 496 HG SER 32 HG SER 32 -10.199 1.524 5.709 497 H CYS 33 H CYS 33 -8.582 1.125 2.752 498 HA CYS 33 HA CYS 33 -10.057 -0.090 0.608 499 1HB CYS 33 1HB CYS 33 -8.627 2.573 0.760 500 2HB CYS 33 2HB CYS 33 -9.683 2.067 -0.558 501 HG CYS 33 HG CYS 33 -10.498 2.983 2.605 502 H LYS 34 H LYS 34 -6.711 0.890 1.186 503 HA LYS 34 HA LYS 34 -5.663 0.050 -1.287 504 1HB LYS 34 1HB LYS 34 -4.399 1.474 0.214 505 2HB LYS 34 2HB LYS 34 -4.399 0.233 1.451 506 1HG LYS 34 1HG LYS 34 -2.913 -1.138 0.181 507 2HG LYS 34 2HG LYS 34 -3.050 -0.071 -1.219 508 1HD LYS 34 1HD LYS 34 -1.897 1.684 -0.106 509 2HD LYS 34 2HD LYS 34 -2.001 0.857 1.448 510 1HE LYS 34 1HE LYS 34 -0.486 -0.234 -0.916 511 2HE LYS 34 2HE LYS 34 0.249 0.785 0.322 512 1HZ LYS 34 1HZ LYS 34 -0.429 -0.871 1.988 513 2HZ LYS 34 2HZ LYS 34 0.632 -1.522 0.832 514 3HZ LYS 34 3HZ LYS 34 -1.021 -1.860 0.752 515 H GLY 35 H GLY 35 -6.413 -1.665 1.686 516 1HA GLY 35 1HA GLY 35 -5.271 -4.154 1.042 517 2HA GLY 35 2HA GLY 35 -6.637 -3.905 2.122 518 H PHE 36 H PHE 36 -8.622 -3.039 0.652 519 HA PHE 36 HA PHE 36 -9.556 -5.217 -0.829 520 1HB PHE 36 1HB PHE 36 -11.109 -3.635 0.116 521 2HB PHE 36 2HB PHE 36 -10.413 -2.316 -0.816 522 HD1 PHE 36 HD1 PHE 36 -12.243 -5.528 -1.183 523 HD2 PHE 36 HD2 PHE 36 -11.293 -1.747 -2.887 524 HE1 PHE 36 HE1 PHE 36 -13.895 -5.919 -2.961 525 HE2 PHE 36 HE2 PHE 36 -12.944 -2.133 -4.670 526 HZ PHE 36 HZ PHE 36 -14.248 -4.221 -4.708 527 H PHE 37 H PHE 37 -8.162 -2.148 -1.896 528 HA PHE 37 HA PHE 37 -8.451 -2.400 -4.630 529 1HB PHE 37 1HB PHE 37 -7.642 -0.394 -3.328 530 2HB PHE 37 2HB PHE 37 -6.063 -1.166 -3.255 531 HD1 PHE 37 HD1 PHE 37 -4.517 -0.721 -4.905 532 HD2 PHE 37 HD2 PHE 37 -8.647 -0.086 -5.706 533 HE1 PHE 37 HE1 PHE 37 -3.938 0.286 -7.073 534 HE2 PHE 37 HE2 PHE 37 -8.076 0.919 -7.877 535 HZ PHE 37 HZ PHE 37 -5.717 1.108 -8.562 536 H LYS 38 H LYS 38 -5.647 -3.394 -2.662 537 HA LYS 38 HA LYS 38 -4.175 -4.457 -4.811 538 1HB LYS 38 1HB LYS 38 -4.047 -5.294 -1.909 539 2HB LYS 38 2HB LYS 38 -2.821 -5.602 -3.131 540 1HG LYS 38 1HG LYS 38 -2.558 -3.133 -3.375 541 2HG LYS 38 2HG LYS 38 -3.641 -2.941 -1.998 542 1HD LYS 38 1HD LYS 38 -0.947 -4.290 -2.032 543 2HD LYS 38 2HD LYS 38 -1.394 -2.808 -1.188 544 1HE LYS 38 1HE LYS 38 -2.485 -5.561 -0.609 545 2HE LYS 38 2HE LYS 38 -1.249 -4.733 0.331 546 1HZ LYS 38 1HZ LYS 38 -3.576 -4.625 1.224 547 2HZ LYS 38 2HZ LYS 38 -3.961 -3.609 -0.074 548 3HZ LYS 38 3HZ LYS 38 -2.800 -3.131 1.065 549 H ARG 39 H ARG 39 -6.283 -6.089 -2.431 550 HA ARG 39 HA ARG 39 -5.919 -8.676 -3.437 551 1HB ARG 39 1HB ARG 39 -7.999 -7.368 -1.754 552 2HB ARG 39 2HB ARG 39 -8.366 -8.945 -2.440 553 1HG ARG 39 1HG ARG 39 -6.070 -8.250 -0.620 554 2HG ARG 39 2HG ARG 39 -7.475 -9.251 -0.240 555 1HD ARG 39 1HD ARG 39 -6.738 -10.767 -2.124 556 2HD ARG 39 2HD ARG 39 -5.234 -9.852 -2.156 557 HE ARG 39 HE ARG 39 -6.138 -11.270 0.267 558 1HH1 ARG 39 1HH1 ARG 39 -3.671 -10.454 -2.071 559 2HH1 ARG 39 2HH1 ARG 39 -2.472 -11.508 -1.380 560 1HH2 ARG 39 1HH2 ARG 39 -4.576 -12.680 1.189 561 2HH2 ARG 39 2HH2 ARG 39 -2.991 -12.788 0.464 562 H THR 40 H THR 40 -7.986 -6.085 -4.522 563 HA THR 40 HA THR 40 -9.599 -7.665 -6.249 564 HB THR 40 HB THR 40 -8.999 -4.701 -6.379 565 HG1 THR 40 HG1 THR 40 -10.010 -5.017 -4.471 566 1HG2 THR 40 1HG2 THR 40 -9.936 -5.577 -8.476 567 2HG2 THR 40 2HG2 THR 40 -11.090 -4.541 -7.636 568 3HG2 THR 40 3HG2 THR 40 -11.272 -6.294 -7.575 569 H VAL 41 H VAL 41 -6.829 -5.498 -6.892 570 HA VAL 41 HA VAL 41 -6.710 -6.089 -9.644 571 HB VAL 41 HB VAL 41 -4.379 -5.126 -9.519 572 1HG1 VAL 41 1HG1 VAL 41 -5.195 -2.853 -9.071 573 2HG1 VAL 41 2HG1 VAL 41 -6.654 -3.528 -8.346 574 3HG1 VAL 41 3HG1 VAL 41 -6.330 -3.770 -10.062 575 1HG2 VAL 41 1HG2 VAL 41 -5.151 -4.661 -6.651 576 2HG2 VAL 41 2HG2 VAL 41 -3.730 -4.007 -7.465 577 3HG2 VAL 41 3HG2 VAL 41 -3.884 -5.748 -7.217 578 H GLN 42 H GLN 42 -5.014 -7.487 -6.876 579 HA GLN 42 HA GLN 42 -3.147 -9.047 -8.210 580 1HB GLN 42 1HB GLN 42 -4.636 -9.659 -5.655 581 2HB GLN 42 2HB GLN 42 -3.257 -10.580 -6.233 582 1HG GLN 42 1HG GLN 42 -1.859 -8.581 -6.078 583 2HG GLN 42 2HG GLN 42 -3.247 -7.665 -5.488 584 1HE2 GLN 42 1HE2 GLN 42 -0.855 -10.046 -4.733 585 2HE2 GLN 42 2HE2 GLN 42 -1.167 -10.129 -3.035 586 H ASN 43 H ASN 43 -6.553 -9.781 -7.515 587 HA ASN 43 HA ASN 43 -6.224 -12.386 -8.817 588 1HB ASN 43 1HB ASN 43 -8.526 -11.254 -7.218 589 2HB ASN 43 2HB ASN 43 -8.531 -12.841 -7.975 590 1HD2 ASN 43 1HD2 ASN 43 -7.339 -10.907 -5.370 591 2HD2 ASN 43 2HD2 ASN 43 -6.649 -12.208 -4.457 592 H ASN 44 H ASN 44 -6.879 -9.337 -9.733 593 HA ASN 44 HA ASN 44 -7.829 -8.357 -11.554 594 1HB ASN 44 1HB ASN 44 -7.859 -11.234 -12.463 595 2HB ASN 44 2HB ASN 44 -8.540 -9.953 -13.451 596 1HD2 ASN 44 1HD2 ASN 44 -5.741 -9.432 -11.453 597 2HD2 ASN 44 2HD2 ASN 44 -4.605 -9.302 -12.746 598 H LYS 45 H LYS 45 -9.374 -8.970 -9.270 599 HA LYS 45 HA LYS 45 -11.840 -10.212 -9.888 600 1HB LYS 45 1HB LYS 45 -11.249 -8.212 -7.704 601 2HB LYS 45 2HB LYS 45 -12.613 -9.309 -7.765 602 1HG LYS 45 1HG LYS 45 -10.952 -11.200 -7.729 603 2HG LYS 45 2HG LYS 45 -9.725 -9.989 -7.356 604 1HD LYS 45 1HD LYS 45 -12.171 -10.669 -5.725 605 2HD LYS 45 2HD LYS 45 -10.489 -10.976 -5.299 606 1HE LYS 45 1HE LYS 45 -10.093 -8.532 -5.286 607 2HE LYS 45 2HE LYS 45 -11.810 -8.283 -5.597 608 1HZ LYS 45 1HZ LYS 45 -11.211 -8.082 -3.238 609 2HZ LYS 45 2HZ LYS 45 -10.717 -9.702 -3.227 610 3HZ LYS 45 3HZ LYS 45 -12.345 -9.307 -3.510 611 H HIS 46 H HIS 46 -13.535 -9.458 -10.957 612 HA HIS 46 HA HIS 46 -14.015 -6.568 -10.999 613 1HB HIS 46 1HB HIS 46 -14.097 -8.392 -13.415 614 2HB HIS 46 2HB HIS 46 -14.723 -6.746 -13.392 615 HD1 HIS 46 HD1 HIS 46 -11.977 -8.387 -14.678 616 HD2 HIS 46 HD2 HIS 46 -12.334 -5.038 -12.231 617 HE1 HIS 46 HE1 HIS 46 -9.820 -7.113 -14.944 618 HE2 HIS 46 HE2 HIS 46 -10.080 -5.054 -13.506 619 H TYR 47 H TYR 47 -15.963 -6.155 -10.253 620 HA TYR 47 HA TYR 47 -17.999 -8.287 -10.398 621 1HB TYR 47 1HB TYR 47 -17.786 -6.065 -8.353 622 2HB TYR 47 2HB TYR 47 -18.940 -7.392 -8.342 623 HD1 TYR 47 HD1 TYR 47 -18.122 -9.721 -7.918 624 HD2 TYR 47 HD2 TYR 47 -15.613 -6.316 -7.456 625 HE1 TYR 47 HE1 TYR 47 -16.569 -11.055 -6.558 626 HE2 TYR 47 HE2 TYR 47 -14.053 -7.642 -6.099 627 HH TYR 47 HH TYR 47 -14.213 -11.041 -5.894 628 H THR 48 H THR 48 -20.275 -7.250 -10.056 629 HA THR 48 HA THR 48 -20.513 -4.668 -11.425 630 HB THR 48 HB THR 48 -22.637 -5.744 -12.527 631 HG1 THR 48 HG1 THR 48 -21.227 -7.916 -11.555 632 1HG2 THR 48 1HG2 THR 48 -21.331 -6.295 -14.525 633 2HG2 THR 48 2HG2 THR 48 -19.856 -6.311 -13.558 634 3HG2 THR 48 3HG2 THR 48 -20.753 -4.808 -13.773 635 H CYS 49 H CYS 49 -22.472 -3.534 -10.912 636 HA CYS 49 HA CYS 49 -23.629 -4.482 -8.376 637 1HB CYS 49 1HB CYS 49 -22.336 -2.365 -8.272 638 2HB CYS 49 2HB CYS 49 -23.465 -1.649 -9.417 639 HG CYS 49 HG CYS 49 -25.596 -2.447 -7.410 640 H THR 50 H THR 50 -24.349 -3.407 -11.592 641 HA THR 50 HA THR 50 -26.218 -3.546 -12.865 642 HB THR 50 HB THR 50 -27.480 -4.934 -10.492 643 HG1 THR 50 HG1 THR 50 -26.607 -6.749 -11.260 644 1HG2 THR 50 1HG2 THR 50 -29.033 -5.872 -12.142 645 2HG2 THR 50 2HG2 THR 50 -28.278 -4.902 -13.406 646 3HG2 THR 50 3HG2 THR 50 -29.145 -4.113 -12.089 647 H GLU 51 H GLU 51 -27.963 -2.301 -13.351 648 HA GLU 51 HA GLU 51 -29.659 -0.814 -13.194 649 1HB GLU 51 1HB GLU 51 -29.319 -1.107 -10.208 650 2HB GLU 51 2HB GLU 51 -30.580 -0.150 -10.974 651 1HG GLU 51 1HG GLU 51 -31.538 -2.098 -11.978 652 2HG GLU 51 2HG GLU 51 -30.193 -3.097 -11.431 653 H SER 52 H SER 52 -28.215 0.458 -10.260 654 HA SER 52 HA SER 52 -27.688 2.931 -11.702 655 1HB SER 52 1HB SER 52 -28.900 3.020 -9.543 656 2HB SER 52 2HB SER 52 -27.494 2.326 -8.737 657 HG SER 52 HG SER 52 -27.984 4.874 -9.271 658 H GLN 53 H GLN 53 -25.984 0.829 -9.407 659 HA GLN 53 HA GLN 53 -23.854 0.096 -9.275 660 1HB GLN 53 1HB GLN 53 -23.459 1.300 -12.015 661 2HB GLN 53 2HB GLN 53 -22.356 0.198 -11.203 662 1HG GLN 53 1HG GLN 53 -24.433 -1.365 -11.106 663 2HG GLN 53 2HG GLN 53 -25.019 -0.342 -12.415 664 1HE2 GLN 53 1HE2 GLN 53 -23.966 -0.374 -14.393 665 2HE2 GLN 53 2HE2 GLN 53 -22.839 -1.619 -14.824 666 H SER 54 H SER 54 -24.543 3.385 -9.828 667 HA SER 54 HA SER 54 -21.936 4.243 -8.857 668 1HB SER 54 1HB SER 54 -23.088 5.478 -10.720 669 2HB SER 54 2HB SER 54 -24.352 5.929 -9.578 670 HG SER 54 HG SER 54 -21.621 6.699 -9.605 671 H CYS 55 H CYS 55 -22.439 2.973 -6.890 672 HA CYS 55 HA CYS 55 -24.303 4.279 -5.062 673 1HB CYS 55 1HB CYS 55 -22.687 1.748 -4.680 674 2HB CYS 55 2HB CYS 55 -23.951 2.347 -3.611 675 HG CYS 55 HG CYS 55 -24.354 0.146 -5.790 676 H LYS 56 H LYS 56 -23.657 5.047 -3.044 677 HA LYS 56 HA LYS 56 -21.029 6.234 -3.046 678 1HB LYS 56 1HB LYS 56 -23.234 6.352 -0.980 679 2HB LYS 56 2HB LYS 56 -21.798 7.366 -1.007 680 1HG LYS 56 1HG LYS 56 -22.510 8.401 -3.061 681 2HG LYS 56 2HG LYS 56 -23.893 7.310 -3.167 682 1HD LYS 56 1HD LYS 56 -24.766 8.243 -1.067 683 2HD LYS 56 2HD LYS 56 -23.398 9.355 -1.004 684 1HE LYS 56 1HE LYS 56 -25.408 10.436 -1.892 685 2HE LYS 56 2HE LYS 56 -24.111 10.384 -3.085 686 1HZ LYS 56 1HZ LYS 56 -26.312 8.395 -2.986 687 2HZ LYS 56 2HZ LYS 56 -25.180 8.621 -4.228 688 3HZ LYS 56 3HZ LYS 56 -26.365 9.796 -3.937 689 H ILE 57 H ILE 57 -19.503 6.003 -1.312 690 HA ILE 57 HA ILE 57 -19.662 3.342 -0.057 691 HB ILE 57 HB ILE 57 -17.192 4.828 -0.965 692 1HG1 ILE 57 1HG1 ILE 57 -18.416 3.895 -2.842 693 2HG1 ILE 57 2HG1 ILE 57 -16.966 2.939 -2.559 694 1HG2 ILE 57 1HG2 ILE 57 -15.959 2.817 -0.324 695 2HG2 ILE 57 2HG2 ILE 57 -17.445 2.105 0.308 696 3HG2 ILE 57 3HG2 ILE 57 -16.765 3.546 1.065 697 1HD1 ILE 57 1HD1 ILE 57 -18.307 1.245 -1.420 698 2HD1 ILE 57 2HD1 ILE 57 -18.866 1.521 -3.069 699 3HD1 ILE 57 3HD1 ILE 57 -19.759 2.202 -1.710 700 H ASP 58 H ASP 58 -20.127 3.561 2.003 701 HA ASP 58 HA ASP 58 -18.597 5.508 3.591 702 1HB ASP 58 1HB ASP 58 -20.514 5.995 4.954 703 2HB ASP 58 2HB ASP 58 -20.999 6.213 3.276 704 H LYS 59 H LYS 59 -19.529 4.722 6.083 705 HA LYS 59 HA LYS 59 -17.852 2.609 6.739 706 1HB LYS 59 1HB LYS 59 -20.336 3.370 8.277 707 2HB LYS 59 2HB LYS 59 -18.857 2.666 8.914 708 1HG LYS 59 1HG LYS 59 -19.012 5.398 7.665 709 2HG LYS 59 2HG LYS 59 -19.157 5.090 9.395 710 1HD LYS 59 1HD LYS 59 -16.929 4.247 9.508 711 2HD LYS 59 2HD LYS 59 -16.781 4.244 7.748 712 1HE LYS 59 1HE LYS 59 -16.823 6.625 7.666 713 2HE LYS 59 2HE LYS 59 -17.255 6.733 9.371 714 1HZ LYS 59 1HZ LYS 59 -15.130 6.155 10.034 715 2HZ LYS 59 2HZ LYS 59 -14.836 7.136 8.680 716 3HZ LYS 59 3HZ LYS 59 -14.731 5.449 8.543 717 H THR 60 H THR 60 -21.280 2.593 5.924 718 HA THR 60 HA THR 60 -21.499 -0.239 6.565 719 HB THR 60 HB THR 60 -23.901 0.041 5.929 720 HG1 THR 60 HG1 THR 60 -23.057 2.752 5.564 721 1HG2 THR 60 1HG2 THR 60 -23.179 0.271 8.251 722 2HG2 THR 60 2HG2 THR 60 -24.500 1.382 7.891 723 3HG2 THR 60 3HG2 THR 60 -22.845 1.982 7.987 724 H GLN 61 H GLN 61 -21.849 1.844 3.690 725 HA GLN 61 HA GLN 61 -22.526 -0.404 2.042 726 1HB GLN 61 1HB GLN 61 -21.994 2.483 1.342 727 2HB GLN 61 2HB GLN 61 -22.543 1.268 0.193 728 1HG GLN 61 1HG GLN 61 -24.542 0.903 1.598 729 2HG GLN 61 2HG GLN 61 -24.006 2.205 2.652 730 1HE2 GLN 61 1HE2 GLN 61 -26.429 1.894 1.062 731 2HE2 GLN 61 2HE2 GLN 61 -26.517 3.296 0.045 732 H ARG 62 H ARG 62 -19.579 0.571 3.178 733 HA ARG 62 HA ARG 62 -17.996 0.353 0.839 734 1HB ARG 62 1HB ARG 62 -16.078 0.103 2.353 735 2HB ARG 62 2HB ARG 62 -17.111 1.446 2.812 736 1HG ARG 62 1HG ARG 62 -18.151 -0.084 4.522 737 2HG ARG 62 2HG ARG 62 -16.861 -1.232 4.153 738 1HD ARG 62 1HD ARG 62 -15.192 0.471 4.744 739 2HD ARG 62 2HD ARG 62 -16.493 1.598 5.129 740 HE ARG 62 HE ARG 62 -16.733 -0.830 6.606 741 1HH1 ARG 62 1HH1 ARG 62 -14.940 2.193 6.499 742 2HH1 ARG 62 2HH1 ARG 62 -14.676 2.227 8.213 743 1HH2 ARG 62 1HH2 ARG 62 -16.370 -0.752 8.871 744 2HH2 ARG 62 2HH2 ARG 62 -15.475 0.577 9.547 745 H LYS 63 H LYS 63 -19.242 -2.041 3.089 746 HA LYS 63 HA LYS 63 -17.828 -4.154 1.659 747 1HB LYS 63 1HB LYS 63 -19.605 -4.232 4.101 748 2HB LYS 63 2HB LYS 63 -18.881 -5.656 3.365 749 1HG LYS 63 1HG LYS 63 -16.647 -4.596 3.738 750 2HG LYS 63 2HG LYS 63 -17.467 -3.350 4.673 751 1HD LYS 63 1HD LYS 63 -18.227 -4.941 6.281 752 2HD LYS 63 2HD LYS 63 -17.694 -6.294 5.280 753 1HE LYS 63 1HE LYS 63 -15.382 -5.657 5.586 754 2HE LYS 63 2HE LYS 63 -15.865 -4.219 6.482 755 1HZ LYS 63 1HZ LYS 63 -16.569 -6.947 7.392 756 2HZ LYS 63 2HZ LYS 63 -16.586 -5.505 8.284 757 3HZ LYS 63 3HZ LYS 63 -15.110 -6.201 7.824 758 H ARG 64 H ARG 64 -20.675 -2.472 1.336 759 HA ARG 64 HA ARG 64 -22.359 -4.733 0.672 760 1HB ARG 64 1HB ARG 64 -22.885 -1.761 0.577 761 2HB ARG 64 2HB ARG 64 -24.080 -2.992 0.192 762 1HG ARG 64 1HG ARG 64 -23.875 -3.886 2.466 763 2HG ARG 64 2HG ARG 64 -22.708 -2.619 2.845 764 1HD ARG 64 1HD ARG 64 -24.416 -0.923 2.381 765 2HD ARG 64 2HD ARG 64 -25.579 -2.197 2.022 766 HE ARG 64 HE ARG 64 -24.473 -2.575 4.600 767 1HH1 ARG 64 1HH1 ARG 64 -26.715 -0.504 2.862 768 2HH1 ARG 64 2HH1 ARG 64 -27.696 -0.184 4.262 769 1HH2 ARG 64 1HH2 ARG 64 -25.756 -2.143 6.441 770 2HH2 ARG 64 2HH2 ARG 64 -27.146 -1.103 6.299 771 H CYS 65 H CYS 65 -20.713 -2.110 -1.032 772 HA CYS 65 HA CYS 65 -21.345 -3.520 -3.537 773 1HB CYS 65 1HB CYS 65 -21.201 -0.557 -3.016 774 2HB CYS 65 2HB CYS 65 -21.104 -1.235 -4.638 775 HG CYS 65 HG CYS 65 -23.672 -2.690 -3.815 776 HA PRO 66 HA PRO 66 -16.795 -3.759 -3.256 777 1HB PRO 66 1HB PRO 66 -16.656 -5.812 -5.079 778 2HB PRO 66 2HB PRO 66 -16.865 -6.040 -3.340 779 1HG PRO 66 1HG PRO 66 -18.907 -6.092 -5.517 780 2HG PRO 66 2HG PRO 66 -18.771 -7.124 -4.083 781 1HD PRO 66 1HD PRO 66 -20.535 -5.086 -4.233 782 2HD PRO 66 2HD PRO 66 -19.760 -5.555 -2.707 783 H PHE 67 H PHE 67 -18.723 -4.068 -6.239 784 HA PHE 67 HA PHE 67 -16.768 -3.164 -8.030 785 1HB PHE 67 1HB PHE 67 -18.726 -4.263 -8.883 786 2HB PHE 67 2HB PHE 67 -19.788 -3.060 -8.162 787 HD1 PHE 67 HD1 PHE 67 -20.608 -1.372 -9.495 788 HD2 PHE 67 HD2 PHE 67 -16.983 -3.302 -10.606 789 HE1 PHE 67 HE1 PHE 67 -20.556 -0.072 -11.582 790 HE2 PHE 67 HE2 PHE 67 -16.931 -2.007 -12.695 791 HZ PHE 67 HZ PHE 67 -18.718 -0.389 -13.185 792 H CYS 68 H CYS 68 -19.358 -1.388 -6.377 793 HA CYS 68 HA CYS 68 -18.791 1.120 -7.498 794 1HB CYS 68 1HB CYS 68 -20.019 0.577 -4.791 795 2HB CYS 68 2HB CYS 68 -20.219 2.024 -5.777 796 HG CYS 68 HG CYS 68 -21.710 0.818 -7.752 797 H ARG 69 H ARG 69 -17.540 -0.540 -4.659 798 HA ARG 69 HA ARG 69 -16.136 1.703 -3.622 799 1HB ARG 69 1HB ARG 69 -16.754 -0.277 -2.264 800 2HB ARG 69 2HB ARG 69 -15.583 -1.231 -3.166 801 1HG ARG 69 1HG ARG 69 -13.790 0.227 -2.370 802 2HG ARG 69 2HG ARG 69 -14.969 1.162 -1.448 803 1HD ARG 69 1HD ARG 69 -15.548 -0.871 -0.186 804 2HD ARG 69 2HD ARG 69 -14.302 -1.752 -1.074 805 HE ARG 69 HE ARG 69 -13.295 0.597 0.210 806 1HH1 ARG 69 1HH1 ARG 69 -14.122 -2.767 0.684 807 2HH1 ARG 69 2HH1 ARG 69 -13.049 -2.972 2.032 808 1HH2 ARG 69 1HH2 ARG 69 -11.889 0.341 1.991 809 2HH2 ARG 69 2HH2 ARG 69 -11.776 -1.205 2.773 810 H PHE 70 H PHE 70 -15.223 -1.004 -5.714 811 HA PHE 70 HA PHE 70 -12.498 -0.371 -5.971 812 1HB PHE 70 1HB PHE 70 -13.381 -2.510 -6.722 813 2HB PHE 70 2HB PHE 70 -14.388 -1.709 -7.922 814 HD1 PHE 70 HD1 PHE 70 -10.784 -1.848 -6.947 815 HD2 PHE 70 HD2 PHE 70 -13.660 -1.777 -10.081 816 HE1 PHE 70 HE1 PHE 70 -8.978 -2.067 -8.602 817 HE2 PHE 70 HE2 PHE 70 -11.863 -1.996 -11.743 818 HZ PHE 70 HZ PHE 70 -9.516 -2.141 -11.005 819 H GLN 71 H GLN 71 -15.286 0.532 -7.979 820 HA GLN 71 HA GLN 71 -13.854 2.247 -9.698 821 1HB GLN 71 1HB GLN 71 -16.778 2.182 -8.954 822 2HB GLN 71 2HB GLN 71 -16.114 3.235 -10.196 823 1HG GLN 71 1HG GLN 71 -16.061 0.226 -10.196 824 2HG GLN 71 2HG GLN 71 -17.100 1.257 -11.179 825 1HE2 GLN 71 1HE2 GLN 71 -14.968 3.209 -11.665 826 2HE2 GLN 71 2HE2 GLN 71 -13.895 2.468 -12.813 827 H LYS 72 H LYS 72 -15.384 2.741 -6.581 828 HA LYS 72 HA LYS 72 -15.272 5.521 -6.426 829 1HB LYS 72 1HB LYS 72 -16.397 3.964 -4.802 830 2HB LYS 72 2HB LYS 72 -14.808 3.579 -4.155 831 1HG LYS 72 1HG LYS 72 -15.756 5.194 -2.724 832 2HG LYS 72 2HG LYS 72 -14.525 6.026 -3.678 833 1HD LYS 72 1HD LYS 72 -16.469 6.600 -5.267 834 2HD LYS 72 2HD LYS 72 -17.508 6.171 -3.906 835 1HE LYS 72 1HE LYS 72 -16.289 7.797 -2.510 836 2HE LYS 72 2HE LYS 72 -15.338 8.251 -3.925 837 1HZ LYS 72 1HZ LYS 72 -17.456 8.870 -5.021 838 2HZ LYS 72 2HZ LYS 72 -17.085 9.818 -3.664 839 3HZ LYS 72 3HZ LYS 72 -18.259 8.602 -3.549 840 H CYS 73 H CYS 73 -12.878 3.067 -5.522 841 HA CYS 73 HA CYS 73 -10.878 4.783 -4.577 842 1HB CYS 73 1HB CYS 73 -10.548 2.126 -5.999 843 2HB CYS 73 2HB CYS 73 -9.337 2.914 -4.992 844 HG CYS 73 HG CYS 73 -12.338 1.664 -3.915 845 H LEU 74 H LEU 74 -11.514 3.524 -7.835 846 HA LEU 74 HA LEU 74 -9.291 4.836 -9.037 847 1HB LEU 74 1HB LEU 74 -11.830 3.825 -10.296 848 2HB LEU 74 2HB LEU 74 -10.363 4.253 -11.152 849 HG LEU 74 HG LEU 74 -10.627 2.007 -9.159 850 1HD1 LEU 74 1HD1 LEU 74 -10.376 0.581 -11.132 851 2HD1 LEU 74 2HD1 LEU 74 -10.431 2.019 -12.156 852 3HD1 LEU 74 3HD1 LEU 74 -11.839 1.564 -11.194 853 1HD2 LEU 74 1HD2 LEU 74 -8.396 1.378 -9.937 854 2HD2 LEU 74 2HD2 LEU 74 -8.395 2.974 -9.185 855 3HD2 LEU 74 3HD2 LEU 74 -8.341 2.829 -10.940 856 H THR 75 H THR 75 -12.603 5.730 -8.424 857 HA THR 75 HA THR 75 -12.874 7.939 -10.101 858 HB THR 75 HB THR 75 -14.049 7.411 -7.370 859 HG1 THR 75 HG1 THR 75 -14.653 5.978 -9.087 860 1HG2 THR 75 1HG2 THR 75 -14.069 9.812 -7.808 861 2HG2 THR 75 2HG2 THR 75 -15.702 9.144 -7.895 862 3HG2 THR 75 3HG2 THR 75 -14.826 9.529 -9.377 863 H VAL 76 H VAL 76 -11.714 7.771 -6.740 864 HA VAL 76 HA VAL 76 -11.185 10.545 -6.573 865 HB VAL 76 HB VAL 76 -10.022 10.105 -4.515 866 1HG1 VAL 76 1HG1 VAL 76 -11.745 8.874 -3.287 867 2HG1 VAL 76 2HG1 VAL 76 -12.400 8.275 -4.812 868 3HG1 VAL 76 3HG1 VAL 76 -12.447 10.000 -4.448 869 1HG2 VAL 76 1HG2 VAL 76 -8.672 8.200 -5.191 870 2HG2 VAL 76 2HG2 VAL 76 -10.113 7.185 -5.266 871 3HG2 VAL 76 3HG2 VAL 76 -9.569 7.832 -3.718 872 H GLY 77 H GLY 77 -9.505 7.930 -8.049 873 1HA GLY 77 1HA GLY 77 -7.901 8.584 -9.735 874 2HA GLY 77 2HA GLY 77 -7.340 9.843 -8.647 875 H MET 78 H MET 78 -7.966 6.746 -7.247 876 HA MET 78 HA MET 78 -5.243 6.342 -6.569 877 1HB MET 78 1HB MET 78 -7.605 4.457 -6.521 878 2HB MET 78 2HB MET 78 -6.003 4.009 -5.950 879 1HG MET 78 1HG MET 78 -6.101 5.827 -4.304 880 2HG MET 78 2HG MET 78 -7.727 6.219 -4.856 881 1HE MET 78 1HE MET 78 -5.459 3.502 -3.137 882 2HE MET 78 2HE MET 78 -6.160 2.635 -4.504 883 3HE MET 78 3HE MET 78 -6.623 2.206 -2.856 884 H ARG 79 H ARG 79 -3.731 5.927 -7.969 885 HA ARG 79 HA ARG 79 -4.198 5.291 -10.637 886 1HB ARG 79 1HB ARG 79 -1.659 5.036 -9.026 887 2HB ARG 79 2HB ARG 79 -1.741 4.940 -10.780 888 1HG ARG 79 1HG ARG 79 -2.562 7.327 -9.138 889 2HG ARG 79 2HG ARG 79 -1.025 7.148 -9.986 890 1HD ARG 79 1HD ARG 79 -2.183 7.022 -12.114 891 2HD ARG 79 2HD ARG 79 -3.742 7.100 -11.295 892 HE ARG 79 HE ARG 79 -2.871 9.373 -10.485 893 1HH1 ARG 79 1HH1 ARG 79 -2.154 7.937 -13.594 894 2HH1 ARG 79 2HH1 ARG 79 -1.893 9.459 -14.391 895 1HH2 ARG 79 1HH2 ARG 79 -2.606 11.392 -11.547 896 2HH2 ARG 79 2HH2 ARG 79 -2.198 11.423 -13.239 897 H LEU 80 H LEU 80 -5.038 3.530 -11.357 898 HA LEU 80 HA LEU 80 -4.833 0.972 -10.123 899 1HB LEU 80 1HB LEU 80 -6.756 1.725 -11.489 900 2HB LEU 80 2HB LEU 80 -5.726 1.745 -12.906 901 HG LEU 80 HG LEU 80 -5.395 -0.719 -12.613 902 1HD1 LEU 80 1HD1 LEU 80 -7.590 -0.391 -10.576 903 2HD1 LEU 80 2HD1 LEU 80 -5.926 -0.868 -10.242 904 3HD1 LEU 80 3HD1 LEU 80 -6.973 -1.923 -11.191 905 1HD2 LEU 80 1HD2 LEU 80 -6.983 0.196 -14.213 906 2HD2 LEU 80 2HD2 LEU 80 -8.227 0.246 -12.963 907 3HD2 LEU 80 3HD2 LEU 80 -7.589 -1.305 -13.509 908 H GLU 81 H GLU 81 -3.188 2.665 -12.686 909 HA GLU 81 HA GLU 81 -1.652 0.404 -13.549 910 1HB GLU 81 1HB GLU 81 -0.360 2.099 -14.844 911 2HB GLU 81 2HB GLU 81 -2.090 2.140 -15.146 912 1HG GLU 81 1HG GLU 81 -2.288 4.058 -13.622 913 2HG GLU 81 2HG GLU 81 -0.540 4.026 -13.389 914 H ALA 82 H ALA 82 -1.533 2.139 -10.752 915 HA ALA 82 HA ALA 82 1.353 2.270 -10.491 916 1HB ALA 82 1HB ALA 82 -0.036 3.992 -9.434 917 2HB ALA 82 2HB ALA 82 0.932 3.118 -8.246 918 3HB ALA 82 3HB ALA 82 -0.786 2.761 -8.418 919 H VAL 83 H VAL 83 -1.315 0.278 -9.332 920 HA VAL 83 HA VAL 83 0.406 -1.328 -7.688 921 HB VAL 83 HB VAL 83 -1.865 -1.120 -6.947 922 1HG1 VAL 83 1HG1 VAL 83 -2.692 -2.338 -9.576 923 2HG1 VAL 83 2HG1 VAL 83 -2.951 -0.668 -9.072 924 3HG1 VAL 83 3HG1 VAL 83 -3.766 -1.983 -8.224 925 1HG2 VAL 83 1HG2 VAL 83 -1.433 -3.909 -8.012 926 2HG2 VAL 83 2HG2 VAL 83 -2.492 -3.451 -6.679 927 3HG2 VAL 83 3HG2 VAL 83 -0.745 -3.262 -6.520 928 H ARG 84 H ARG 84 1.781 -2.684 -8.494 929 HA ARG 84 HA ARG 84 1.161 -4.060 -11.010 930 1HB ARG 84 1HB ARG 84 3.801 -3.621 -9.595 931 2HB ARG 84 2HB ARG 84 3.604 -4.528 -11.093 932 1HG ARG 84 1HG ARG 84 2.872 -2.569 -12.258 933 2HG ARG 84 2HG ARG 84 2.826 -1.639 -10.762 934 1HD ARG 84 1HD ARG 84 5.242 -1.847 -10.546 935 2HD ARG 84 2HD ARG 84 5.301 -2.821 -12.015 936 HE ARG 84 HE ARG 84 4.269 -0.706 -13.074 937 1HH1 ARG 84 1HH1 ARG 84 6.524 -0.675 -10.400 938 2HH1 ARG 84 2HH1 ARG 84 7.258 0.824 -10.862 939 1HH2 ARG 84 1HH2 ARG 84 5.232 1.289 -13.694 940 2HH2 ARG 84 2HH2 ARG 84 6.528 1.936 -12.735 941 H ALA 85 H ALA 85 0.168 -5.899 -10.630 942 HA ALA 85 HA ALA 85 0.261 -7.142 -8.047 943 1HB ALA 85 1HB ALA 85 -1.163 -8.029 -10.551 944 2HB ALA 85 2HB ALA 85 -1.821 -6.951 -9.319 945 3HB ALA 85 3HB ALA 85 -1.449 -8.628 -8.916 946 H ASP 86 H ASP 86 2.353 -7.351 -10.535 947 HA ASP 86 HA ASP 86 2.841 -10.110 -10.802 948 1HB ASP 86 1HB ASP 86 4.793 -7.800 -11.024 949 2HB ASP 86 2HB ASP 86 5.066 -9.432 -11.625 950 H ARG 87 H ARG 87 5.304 -8.075 -9.344 951 HA ARG 87 HA ARG 87 4.916 -8.879 -6.660 952 1HB ARG 87 1HB ARG 87 5.825 -11.018 -7.658 953 2HB ARG 87 2HB ARG 87 7.315 -10.150 -8.001 954 1HG ARG 87 1HG ARG 87 7.573 -11.428 -5.980 955 2HG ARG 87 2HG ARG 87 7.582 -9.708 -5.589 956 1HD ARG 87 1HD ARG 87 5.139 -9.925 -5.033 957 2HD ARG 87 2HD ARG 87 5.327 -11.671 -5.206 958 HE ARG 87 HE ARG 87 6.539 -9.990 -3.126 959 1HH1 ARG 87 1HH1 ARG 87 5.875 -13.184 -4.414 960 2HH1 ARG 87 2HH1 ARG 87 6.245 -13.991 -2.916 961 1HH2 ARG 87 1HH2 ARG 87 6.989 -11.044 -1.163 962 2HH2 ARG 87 2HH2 ARG 87 6.852 -12.780 -1.059 963 H MET 88 H MET 88 5.361 -6.495 -8.217 964 HA MET 88 HA MET 88 8.061 -5.675 -7.448 965 1HB MET 88 1HB MET 88 6.068 -4.595 -9.402 966 2HB MET 88 2HB MET 88 7.320 -3.539 -8.761 967 1HG MET 88 1HG MET 88 7.795 -6.142 -10.184 968 2HG MET 88 2HG MET 88 7.952 -4.537 -10.901 969 1HE MET 88 1HE MET 88 9.781 -2.751 -10.124 970 2HE MET 88 2HE MET 88 10.959 -3.052 -8.846 971 3HE MET 88 3HE MET 88 9.246 -2.906 -8.451 972 H ARG 89 H ARG 89 8.184 -5.013 -5.476 973 HA ARG 89 HA ARG 89 5.928 -3.883 -4.081 974 1HB ARG 89 1HB ARG 89 8.742 -4.587 -3.273 975 2HB ARG 89 2HB ARG 89 7.606 -3.818 -2.171 976 1HG ARG 89 1HG ARG 89 6.276 -5.676 -2.020 977 2HG ARG 89 2HG ARG 89 6.772 -6.291 -3.598 978 1HD ARG 89 1HD ARG 89 8.580 -6.171 -1.194 979 2HD ARG 89 2HD ARG 89 7.628 -7.589 -1.638 980 HE ARG 89 HE ARG 89 9.492 -6.463 -3.605 981 1HH1 ARG 89 1HH1 ARG 89 8.590 -9.035 -1.418 982 2HH1 ARG 89 2HH1 ARG 89 9.739 -10.173 -2.064 983 1HH2 ARG 89 1HH2 ARG 89 11.022 -7.941 -4.462 984 2HH2 ARG 89 2HH2 ARG 89 11.145 -9.538 -3.786 985 H GLY 90 H GLY 90 6.146 -2.110 -5.879 986 1HA GLY 90 1HA GLY 90 6.111 0.313 -5.198 987 2HA GLY 90 2HA GLY 90 7.802 0.070 -4.783 988 H GLY 91 H GLY 91 9.048 1.023 -6.221 989 1HA GLY 91 1HA GLY 91 10.018 1.267 -8.354 990 2HA GLY 91 2HA GLY 91 8.567 0.568 -9.066 991 H ARG 92 H ARG 92 9.478 3.393 -7.106 992 HA ARG 92 HA ARG 92 7.336 4.958 -8.243 993 1HB ARG 92 1HB ARG 92 8.051 5.174 -5.867 994 2HB ARG 92 2HB ARG 92 9.598 5.798 -6.417 995 1HG ARG 92 1HG ARG 92 8.276 7.642 -7.560 996 2HG ARG 92 2HG ARG 92 6.895 7.083 -6.612 997 1HD ARG 92 1HD ARG 92 9.533 8.108 -5.571 998 2HD ARG 92 2HD ARG 92 7.959 8.890 -5.435 999 HE ARG 92 HE ARG 92 7.399 6.747 -4.093 1000 1HH1 ARG 92 1HH1 ARG 92 10.489 8.384 -4.118 1001 2HH1 ARG 92 2HH1 ARG 92 10.905 7.916 -2.498 1002 1HH2 ARG 92 1HH2 ARG 92 7.939 6.117 -1.943 1003 2HH2 ARG 92 2HH2 ARG 92 9.455 6.638 -1.259 1004 H ASN 93 H ASN 93 7.923 4.955 -10.457 1005 HA ASN 93 HA ASN 93 10.056 6.865 -11.066 1006 1HB ASN 93 1HB ASN 93 10.831 5.507 -12.953 1007 2HB ASN 93 2HB ASN 93 11.007 4.644 -11.434 1008 1HD2 ASN 93 1HD2 ASN 93 10.914 3.624 -14.125 1009 2HD2 ASN 93 2HD2 ASN 93 9.586 2.506 -14.187 1010 H LYS 94 H LYS 94 7.464 4.976 -12.627 1011 HA LYS 94 HA LYS 94 6.990 6.780 -14.715 1012 1HB LYS 94 1HB LYS 94 6.186 4.472 -14.755 1013 2HB LYS 94 2HB LYS 94 5.107 4.805 -13.407 1014 1HG LYS 94 1HG LYS 94 3.893 4.760 -15.509 1015 2HG LYS 94 2HG LYS 94 3.849 6.372 -14.791 1016 1HD LYS 94 1HD LYS 94 5.771 6.986 -16.277 1017 2HD LYS 94 2HD LYS 94 5.568 5.427 -17.079 1018 1HE LYS 94 1HE LYS 94 3.283 6.032 -17.685 1019 2HE LYS 94 2HE LYS 94 3.470 7.582 -16.866 1020 1HZ LYS 94 1HZ LYS 94 3.800 7.882 -19.201 1021 2HZ LYS 94 2HZ LYS 94 4.958 6.646 -19.255 1022 3HZ LYS 94 3HZ LYS 94 5.298 8.083 -18.426 1023 H PHE 95 H PHE 95 5.795 6.658 -11.442 1024 HA PHE 95 HA PHE 95 3.978 8.893 -11.966 1025 1HB PHE 95 1HB PHE 95 4.227 7.164 -9.495 1026 2HB PHE 95 2HB PHE 95 2.969 8.356 -9.814 1027 HD1 PHE 95 HD1 PHE 95 4.141 4.994 -10.436 1028 HD2 PHE 95 HD2 PHE 95 1.303 7.949 -11.583 1029 HE1 PHE 95 HE1 PHE 95 2.803 3.265 -11.560 1030 HE2 PHE 95 HE2 PHE 95 -0.044 6.223 -12.705 1031 HZ PHE 95 HZ PHE 95 0.709 3.880 -12.695 1032 H GLY 96 H GLY 96 7.054 8.750 -11.472 1033 1HA GLY 96 1HA GLY 96 7.774 9.869 -9.058 1034 2HA GLY 96 2HA GLY 96 8.632 10.141 -10.564 1035 HA PRO 97 HA PRO 97 7.568 14.374 -10.839 1036 1HB PRO 97 1HB PRO 97 5.778 13.998 -13.177 1037 2HB PRO 97 2HB PRO 97 7.209 15.019 -13.005 1038 1HG PRO 97 1HG PRO 97 7.308 12.770 -14.426 1039 2HG PRO 97 2HG PRO 97 8.672 13.264 -13.406 1040 1HD PRO 97 1HD PRO 97 6.580 11.187 -12.899 1041 2HD PRO 97 2HD PRO 97 8.319 11.148 -12.539 1042 H MET 98 H MET 98 4.590 12.524 -11.595 1043 HA MET 98 HA MET 98 2.933 14.681 -10.762 1044 1HB MET 98 1HB MET 98 1.044 13.117 -11.069 1045 2HB MET 98 2HB MET 98 2.104 13.219 -12.459 1046 1HG MET 98 1HG MET 98 1.581 10.979 -12.289 1047 2HG MET 98 2HG MET 98 3.194 11.119 -11.607 1048 1HE MET 98 1HE MET 98 -0.649 10.863 -10.729 1049 2HE MET 98 2HE MET 98 -0.092 12.241 -9.780 1050 3HE MET 98 3HE MET 98 -0.582 10.753 -8.970 1051 H TYR 99 H TYR 99 4.140 11.807 -9.157 1052 HA TYR 99 HA TYR 99 2.345 11.935 -6.961 1053 1HB TYR 99 1HB TYR 99 3.575 9.880 -7.552 1054 2HB TYR 99 2HB TYR 99 5.088 10.663 -7.113 1055 HD1 TYR 99 HD1 TYR 99 1.853 9.468 -5.757 1056 HD2 TYR 99 HD2 TYR 99 5.829 10.696 -4.877 1057 HE1 TYR 99 HE1 TYR 99 1.565 8.700 -3.438 1058 HE2 TYR 99 HE2 TYR 99 5.559 9.934 -2.557 1059 HH TYR 99 HH TYR 99 2.887 8.037 -1.531 1060 H LYS 100 H LYS 100 5.698 13.047 -7.416 1061 HA LYS 100 HA LYS 100 5.902 14.148 -4.807 1062 1HB LYS 100 1HB LYS 100 7.920 15.265 -5.602 1063 2HB LYS 100 2HB LYS 100 7.901 13.584 -6.114 1064 1HG LYS 100 1HG LYS 100 7.283 14.220 -8.348 1065 2HG LYS 100 2HG LYS 100 7.111 15.904 -7.853 1066 1HD LYS 100 1HD LYS 100 9.463 16.039 -7.356 1067 2HD LYS 100 2HD LYS 100 9.675 14.333 -7.755 1068 1HE LYS 100 1HE LYS 100 9.051 14.762 -10.053 1069 2HE LYS 100 2HE LYS 100 8.711 16.451 -9.673 1070 1HZ LYS 100 1HZ LYS 100 10.889 16.114 -10.729 1071 2HZ LYS 100 2HZ LYS 100 11.376 15.168 -9.408 1072 3HZ LYS 100 3HZ LYS 100 11.017 16.812 -9.187 1073 H ARG 101 H ARG 101 4.779 15.386 -7.888 1074 HA ARG 101 HA ARG 101 4.807 18.122 -7.221 1075 1HB ARG 101 1HB ARG 101 4.603 17.335 -9.528 1076 2HB ARG 101 2HB ARG 101 3.033 16.635 -9.163 1077 1HG ARG 101 1HG ARG 101 2.161 18.883 -8.687 1078 2HG ARG 101 2HG ARG 101 3.732 19.563 -9.121 1079 1HD ARG 101 1HD ARG 101 1.952 17.941 -10.935 1080 2HD ARG 101 2HD ARG 101 2.132 19.695 -10.974 1081 HE ARG 101 HE ARG 101 4.496 19.305 -11.577 1082 1HH1 ARG 101 1HH1 ARG 101 2.214 16.682 -12.025 1083 2HH1 ARG 101 2HH1 ARG 101 3.120 15.955 -13.324 1084 1HH2 ARG 101 1HH2 ARG 101 5.671 18.370 -13.275 1085 2HH2 ARG 101 2HH2 ARG 101 5.077 16.936 -14.059 1086 H ASP 102 H ASP 102 2.071 15.822 -7.283 1087 HA ASP 102 HA ASP 102 0.190 17.571 -6.164 1088 1HB ASP 102 1HB ASP 102 0.379 14.599 -6.419 1089 2HB ASP 102 2HB ASP 102 -0.872 15.281 -5.386 1090 H ARG 103 H ARG 103 2.399 15.279 -4.659 1091 HA ARG 103 HA ARG 103 1.442 15.556 -2.021 1092 1HB ARG 103 1HB ARG 103 2.865 13.699 -2.816 1093 2HB ARG 103 2HB ARG 103 4.213 14.813 -2.974 1094 1HG ARG 103 1HG ARG 103 4.301 15.146 -0.609 1095 2HG ARG 103 2HG ARG 103 2.808 14.231 -0.379 1096 1HD ARG 103 1HD ARG 103 3.892 12.215 -1.188 1097 2HD ARG 103 2HD ARG 103 5.374 13.115 -1.506 1098 HE ARG 103 HE ARG 103 5.307 13.549 1.018 1099 1HH1 ARG 103 1HH1 ARG 103 4.135 10.612 -0.501 1100 2HH1 ARG 103 2HH1 ARG 103 4.459 9.627 0.887 1101 1HH2 ARG 103 1HH2 ARG 103 5.734 12.255 2.820 1102 2HH2 ARG 103 2HH2 ARG 103 5.369 10.554 2.783 1103 H ALA 104 H ALA 104 3.910 17.315 -3.851 1104 HA ALA 104 HA ALA 104 4.772 18.870 -1.601 1105 1HB ALA 104 1HB ALA 104 6.063 20.153 -3.216 1106 2HB ALA 104 2HB ALA 104 5.210 19.365 -4.543 1107 3HB ALA 104 3HB ALA 104 6.264 18.423 -3.489 1108 H LEU 105 H LEU 105 2.508 19.338 -4.266 1109 HA LEU 105 HA LEU 105 1.965 22.065 -3.818 1110 1HB LEU 105 1HB LEU 105 0.215 19.903 -4.989 1111 2HB LEU 105 2HB LEU 105 -0.173 21.612 -5.026 1112 HG LEU 105 HG LEU 105 2.151 20.266 -6.400 1113 1HD1 LEU 105 1HD1 LEU 105 0.004 19.902 -7.487 1114 2HD1 LEU 105 2HD1 LEU 105 1.020 20.981 -8.442 1115 3HD1 LEU 105 3HD1 LEU 105 -0.305 21.638 -7.482 1116 1HD2 LEU 105 1HD2 LEU 105 2.791 22.469 -5.563 1117 2HD2 LEU 105 2HD2 LEU 105 1.380 23.180 -6.347 1118 3HD2 LEU 105 3HD2 LEU 105 2.663 22.463 -7.322 1119 H LYS 106 H LYS 106 0.571 19.127 -2.463 1120 HA LYS 106 HA LYS 106 -1.501 20.397 -1.014 1121 1HB LYS 106 1HB LYS 106 -1.485 17.977 -1.464 1122 2HB LYS 106 2HB LYS 106 -0.097 17.795 -0.398 1123 1HG LYS 106 1HG LYS 106 -1.408 18.541 1.492 1124 2HG LYS 106 2HG LYS 106 -2.796 18.826 0.442 1125 1HD LYS 106 1HD LYS 106 -2.842 16.434 -0.106 1126 2HD LYS 106 2HD LYS 106 -1.495 16.169 1.004 1127 1HE LYS 106 1HE LYS 106 -3.547 15.617 2.132 1128 2HE LYS 106 2HE LYS 106 -2.885 17.091 2.837 1129 1HZ LYS 106 1HZ LYS 106 -5.221 17.376 2.534 1130 2HZ LYS 106 2HZ LYS 106 -5.139 16.882 0.917 1131 3HZ LYS 106 3HZ LYS 106 -4.441 18.356 1.384 1132 H GLN 107 H GLN 107 1.883 19.898 -0.404 1133 HA GLN 107 HA GLN 107 1.726 20.600 2.384 1134 1HB GLN 107 1HB GLN 107 4.052 20.245 0.500 1135 2HB GLN 107 2HB GLN 107 4.246 20.725 2.178 1136 1HG GLN 107 1HG GLN 107 3.128 18.632 2.861 1137 2HG GLN 107 2HG GLN 107 3.077 18.148 1.165 1138 1HE2 GLN 107 1HE2 GLN 107 4.376 16.354 1.549 1139 2HE2 GLN 107 2HE2 GLN 107 6.072 16.490 1.870 1140 H GLN 108 H GLN 108 3.333 22.132 -0.407 1141 HA GLN 108 HA GLN 108 4.196 24.211 -0.682 1142 1HB GLN 108 1HB GLN 108 1.556 24.821 0.622 1143 2HB GLN 108 2HB GLN 108 2.631 26.093 0.055 1144 1HG GLN 108 1HG GLN 108 1.332 23.937 -1.589 1145 2HG GLN 108 2HG GLN 108 0.975 25.663 -1.615 1146 1HE2 GLN 108 1HE2 GLN 108 1.796 23.912 -3.783 1147 2HE2 GLN 108 2HE2 GLN 108 3.259 24.582 -4.423 1148 H LYS 109 H LYS 109 5.101 22.786 1.567 1149 HA LYS 109 HA LYS 109 5.222 24.620 3.802 1150 1HB LYS 109 1HB LYS 109 5.094 22.079 3.987 1151 2HB LYS 109 2HB LYS 109 6.770 22.051 3.457 1152 1HG LYS 109 1HG LYS 109 7.444 23.323 5.397 1153 2HG LYS 109 2HG LYS 109 5.762 23.482 5.907 1154 1HD LYS 109 1HD LYS 109 6.757 21.734 7.201 1155 2HD LYS 109 2HD LYS 109 5.650 20.988 6.047 1156 1HE LYS 109 1HE LYS 109 7.660 19.693 6.094 1157 2HE LYS 109 2HE LYS 109 7.603 20.559 4.560 1158 1HZ LYS 109 1HZ LYS 109 9.185 21.346 6.948 1159 2HZ LYS 109 2HZ LYS 109 9.121 22.211 5.493 1160 3HZ LYS 109 3HZ LYS 109 9.803 20.658 5.525 1161 H LYS 110 H LYS 110 7.105 23.683 1.055 1162 HA LYS 110 HA LYS 110 9.574 24.845 1.824 1163 1HB LYS 110 1HB LYS 110 8.346 24.215 -0.855 1164 2HB LYS 110 2HB LYS 110 9.926 24.970 -0.709 1165 1HG LYS 110 1HG LYS 110 9.207 22.333 0.549 1166 2HG LYS 110 2HG LYS 110 9.964 22.498 -1.037 1167 1HD LYS 110 1HD LYS 110 11.850 23.681 0.005 1168 2HD LYS 110 2HD LYS 110 11.096 23.471 1.586 1169 1HE LYS 110 1HE LYS 110 11.935 21.228 -0.247 1170 2HE LYS 110 2HE LYS 110 12.869 21.810 1.129 1171 1HZ LYS 110 1HZ LYS 110 11.602 19.859 1.723 1172 2HZ LYS 110 2HZ LYS 110 10.156 20.605 1.251 1173 3HZ LYS 110 3HZ LYS 110 11.023 21.204 2.580 1174 H ALA 111 H ALA 111 9.506 26.889 2.565 1175 HA ALA 111 HA ALA 111 8.593 28.923 0.656 1176 1HB ALA 111 1HB ALA 111 8.157 29.033 3.641 1177 2HB ALA 111 2HB ALA 111 6.912 28.739 2.427 1178 3HB ALA 111 3HB ALA 111 7.738 30.295 2.483 Start of MODEL 12 1 1H5* G 1 1H5* G 1 30.380 4.273 0.136 2 2H5* G 1 2H5* G 1 29.518 2.725 0.078 3 H4* G 1 H4* G 1 29.240 4.434 2.068 4 H3* G 1 H3* G 1 27.882 2.167 1.407 5 H1* G 1 H1* G 1 26.141 5.504 2.115 6 H8 G 1 H8 G 1 26.151 4.772 -1.702 7 H1 G 1 H1 G 1 22.150 9.371 0.312 8 1H2 G 1 1H2 G 1 22.341 9.631 2.494 9 2H2 G 1 2H2 G 1 23.457 8.684 3.453 10 H5T G 1 H5T G 1 28.005 4.707 -0.961 11 1H2* G 1 1H2* G 1 26.139 3.185 0.117 12 2H2* G 1 2H2* G 1 25.416 3.234 1.719 13 1H5* G 2 1H5* G 2 26.760 4.601 4.650 14 2H5* G 2 2H5* G 2 26.741 4.088 6.350 15 H4* G 2 H4* G 2 25.150 5.723 6.356 16 H3* G 2 H3* G 2 24.093 3.198 6.693 17 H1* G 2 H1* G 2 22.513 6.030 4.739 18 H8 G 2 H8 G 2 23.945 3.512 2.145 19 H1 G 2 H1 G 2 19.314 7.442 0.056 20 1H2 G 2 1H2 G 2 18.623 8.732 1.705 21 2H2 G 2 2H2 G 2 19.294 8.626 3.317 22 1H2* G 2 1H2* G 2 23.064 3.017 4.542 23 2H2* G 2 2H2* G 2 21.773 3.807 5.437 24 1H5* C 3 1H5* C 3 21.811 6.866 8.620 25 2H5* C 3 2H5* C 3 21.003 6.343 10.113 26 H4* C 3 H4* C 3 19.741 8.086 9.029 27 H3* C 3 H3* C 3 18.547 5.866 9.997 28 H1* C 3 H1* C 3 17.686 7.193 6.463 29 1H4 C 3 1H4 C 3 19.078 3.751 1.335 30 2H4 C 3 2H4 C 3 20.232 2.778 2.216 31 H5 C 3 H5 C 3 20.659 3.062 4.579 32 H6 C 3 H6 C 3 20.136 4.393 6.553 33 1H2* C 3 1H2* C 3 18.388 4.623 7.955 34 2H2* C 3 2H2* C 3 16.854 5.482 7.918 35 1H5* T 4 1H5* T 4 16.502 8.348 6.625 36 2H5* T 4 2H5* T 4 15.783 9.310 7.934 37 H4* T 4 H4* T 4 14.440 9.891 6.193 38 H3* T 4 H3* T 4 13.068 8.523 8.021 39 1H2* T 4 1H2* T 4 13.351 6.316 7.112 40 2H2* T 4 2H2* T 4 11.812 6.775 6.399 41 H1* T 4 H1* T 4 12.804 7.372 4.307 42 H3 T 4 H3 T 4 14.222 3.741 2.179 43 1H5M T 4 1H5M T 4 16.558 2.223 5.864 44 2H5M T 4 2H5M T 4 17.600 3.665 5.875 45 3H5M T 4 3H5M T 4 16.317 3.485 7.096 46 H6 T 4 H6 T 4 15.244 5.584 6.457 47 1H5* C 5 1H5* C 5 10.595 10.411 4.319 48 2H5* C 5 2H5* C 5 8.961 10.750 4.926 49 H4* C 5 H4* C 5 9.092 10.235 2.497 50 H3* C 5 H3* C 5 7.039 9.608 4.102 51 H1* C 5 H1* C 5 8.636 6.815 1.894 52 1H4 C 5 1H4 C 5 11.835 2.116 4.673 53 2H4 C 5 2H4 C 5 11.803 2.918 6.229 54 H5 C 5 H5 C 5 10.789 5.093 6.566 55 H6 C 5 H6 C 5 9.602 6.929 5.487 56 1H2* C 5 1H2* C 5 7.700 7.397 4.732 57 2H2* C 5 2H2* C 5 6.734 7.037 3.309 58 1H5* A 6 1H5* A 6 7.911 6.860 0.003 59 2H5* A 6 2H5* A 6 6.775 8.052 -0.665 60 H4* A 6 H4* A 6 6.448 6.345 -2.121 61 H3* A 6 H3* A 6 4.270 6.709 -0.656 62 H1* A 6 H1* A 6 5.701 3.095 -0.818 63 H8 A 6 H8 A 6 6.412 4.861 2.544 64 1H6 A 6 1H6 A 6 9.286 -0.415 4.082 65 2H6 A 6 2H6 A 6 8.774 1.158 4.658 66 H2 A 6 H2 A 6 8.032 -0.703 -0.207 67 1H2* A 6 1H2* A 6 4.806 5.227 1.161 68 2H2* A 6 2H2* A 6 3.812 4.183 0.153 69 1H5* G 7 1H5* G 7 4.355 3.661 -3.896 70 2H5* G 7 2H5* G 7 2.941 3.565 -4.969 71 H4* G 7 H4* G 7 3.958 1.449 -5.031 72 H3* G 7 H3* G 7 1.340 1.630 -4.160 73 H1* G 7 H1* G 7 4.027 -0.714 -2.653 74 H8 G 7 H8 G 7 3.203 2.276 -0.316 75 H1 G 7 H1 G 7 6.036 -2.779 2.452 76 1H2 G 7 1H2 G 7 6.397 -4.356 0.953 77 2H2 G 7 2H2 G 7 5.936 -4.169 -0.724 78 1H2* G 7 1H2* G 7 1.663 1.061 -1.885 79 2H2* G 7 2H2* G 7 1.645 -0.569 -2.544 80 1H5* G 8 1H5* G 8 3.956 -2.040 -3.438 81 2H5* G 8 2H5* G 8 3.633 -2.149 -5.181 82 H4* G 8 H4* G 8 4.518 -4.195 -4.919 83 H3* G 8 H3* G 8 1.894 -4.516 -5.212 84 H1* G 8 H1* G 8 3.447 -5.993 -1.779 85 H8 G 8 H8 G 8 1.579 -2.623 -2.010 86 H1 G 8 H1 G 8 3.451 -4.350 3.881 87 1H2 G 8 1H2 G 8 4.621 -6.222 3.782 88 2H2 G 8 2H2 G 8 4.939 -7.043 2.271 89 1H2* G 8 1H2* G 8 1.106 -4.589 -2.989 90 2H2* G 8 2H2* G 8 1.581 -6.277 -3.106 91 1H5* G 9 1H5* G 9 4.118 -7.097 -3.058 92 2H5* G 9 2H5* G 9 4.766 -8.325 -4.166 93 H4* G 9 H4* G 9 5.354 -9.343 -2.279 94 H3* G 9 H3* G 9 3.221 -10.647 -3.216 95 H1* G 9 H1* G 9 3.143 -9.485 0.505 96 H8 G 9 H8 G 9 1.130 -7.189 -1.891 97 H1 G 9 H1 G 9 0.549 -5.967 4.388 98 1H2 G 9 1H2 G 9 1.847 -7.328 5.540 99 2H2 G 9 2H2 G 9 2.852 -8.533 4.767 100 1H2* G 9 1H2* G 9 1.498 -9.450 -2.055 101 2H2* G 9 2H2* G 9 1.772 -10.781 -0.937 102 1H5* C 10 1H5* C 10 4.623 -11.340 1.582 103 2H5* C 10 2H5* C 10 4.694 -13.106 1.409 104 H4* C 10 H4* C 10 4.163 -12.552 3.671 105 H3* C 10 H3* C 10 2.701 -14.398 2.337 106 H1* C 10 H1* C 10 1.055 -11.711 4.510 107 1H4 C 10 1H4 C 10 -2.587 -7.114 2.163 108 2H4 C 10 2H4 C 10 -2.296 -7.620 0.512 109 H5 C 10 H5 C 10 -0.852 -9.491 -0.052 110 H6 C 10 H6 C 10 0.631 -11.206 0.852 111 1H2* C 10 1H2* C 10 0.863 -12.973 1.729 112 2H2* C 10 2H2* C 10 0.286 -13.633 3.253 113 1H5* C 11 1H5* C 11 2.502 -13.815 6.991 114 2H5* C 11 2H5* C 11 2.508 -15.496 7.563 115 H4* C 11 H4* C 11 1.742 -14.136 9.333 116 H3* C 11 H3* C 11 0.231 -16.253 8.517 117 H1* C 11 H1* C 11 -1.458 -12.686 9.106 118 1H4 C 11 1H4 C 11 -4.039 -10.350 3.809 119 2H4 C 11 2H4 C 11 -3.207 -11.521 2.810 120 H5 C 11 H5 C 11 -1.689 -13.175 3.713 121 H6 C 11 H6 C 11 -0.681 -14.054 5.749 122 1H2* C 11 1H2* C 11 -1.563 -15.194 7.437 123 2H2* C 11 2H2* C 11 -2.127 -14.912 9.078 124 1H5* A 12 1H5* A 12 -1.081 -13.249 11.267 125 2H5* A 12 2H5* A 12 -1.033 -13.931 12.905 126 H4* A 12 H4* A 12 -2.366 -12.080 13.159 127 H3* A 12 H3* A 12 -3.625 -14.418 13.657 128 H1* A 12 H1* A 12 -5.324 -11.663 11.515 129 H8 A 12 H8 A 12 -3.814 -14.492 9.310 130 1H6 A 12 1H6 A 12 -7.410 -12.194 4.831 131 2H6 A 12 2H6 A 12 -6.240 -13.427 5.249 132 H2 A 12 H2 A 12 -8.028 -9.713 8.518 133 1H2* A 12 1H2* A 12 -4.782 -14.665 11.581 134 2H2* A 12 2H2* A 12 -5.978 -13.746 12.486 135 1H5* C 13 1H5* C 13 -6.291 -10.725 12.567 136 2H5* C 13 2H5* C 13 -6.149 -10.341 14.294 137 H4* C 13 H4* C 13 -7.980 -9.117 13.842 138 H3* C 13 H3* C 13 -8.755 -11.204 15.286 139 H1* C 13 H1* C 13 -10.600 -10.701 11.799 140 1H4 C 13 1H4 C 13 -8.792 -14.608 7.153 141 2H4 C 13 2H4 C 13 -7.841 -15.571 8.263 142 H5 C 13 H5 C 13 -7.571 -14.996 10.605 143 H6 C 13 H6 C 13 -8.151 -13.385 12.340 144 1H2* C 13 1H2* C 13 -9.289 -12.768 13.568 145 2H2* C 13 2H2* C 13 -10.855 -11.991 13.739 146 1H5* A 14 1H5* A 14 -11.532 -8.821 12.693 147 2H5* A 14 2H5* A 14 -11.947 -7.751 14.048 148 H4* A 14 H4* A 14 -13.497 -7.009 12.613 149 H3* A 14 H3* A 14 -14.779 -8.476 14.414 150 H1* A 14 H1* A 14 -15.238 -9.628 10.592 151 H8 A 14 H8 A 14 -12.699 -11.435 12.900 152 1H6 A 14 1H6 A 14 -12.049 -15.404 8.198 153 2H6 A 14 2H6 A 14 -11.580 -15.030 9.843 154 H2 A 14 H2 A 14 -14.856 -12.149 6.896 155 1H2* A 14 1H2* A 14 -14.804 -10.617 13.392 156 2H2* A 14 2H2* A 14 -16.259 -9.969 12.646 157 1H5* G 15 1H5* G 15 -16.559 -7.715 10.755 158 2H5* G 15 2H5* G 15 -18.025 -6.728 10.595 159 H4* G 15 H4* G 15 -18.135 -8.050 8.737 160 H3* G 15 H3* G 15 -20.063 -8.659 10.653 161 H1* G 15 H1* G 15 -18.205 -11.146 8.369 162 H8 G 15 H8 G 15 -17.034 -11.441 12.058 163 H1 G 15 H1 G 15 -15.660 -16.420 8.244 164 1H2 G 15 1H2 G 15 -16.463 -16.068 6.222 165 2H2 G 15 2H2 G 15 -17.331 -14.607 5.805 166 H3T G 15 H3T G 15 -20.115 -8.088 8.307 167 1H2* G 15 1H2* G 15 -19.351 -10.845 11.187 168 2H2* G 15 2H2* G 15 -20.201 -11.236 9.698 169 1H5* C 16 1H5* C 16 -15.780 -23.690 4.467 170 2H5* C 16 2H5* C 16 -14.243 -24.009 3.646 171 H4* C 16 H4* C 16 -15.694 -22.457 2.428 172 H3* C 16 H3* C 16 -13.033 -22.233 2.529 173 H1* C 16 H1* C 16 -15.184 -19.078 3.585 174 1H4 C 16 1H4 C 16 -15.040 -17.600 9.747 175 2H4 C 16 2H4 C 16 -14.245 -19.104 10.153 176 H5 C 16 H5 C 16 -13.693 -20.784 8.511 177 H6 C 16 H6 C 16 -13.786 -21.374 6.149 178 H5T C 16 H5T C 16 -14.650 -23.107 6.108 179 1H2* C 16 1H2* C 16 -12.779 -20.742 4.362 180 2H2* C 16 2H2* C 16 -12.948 -19.559 3.073 181 1H5* T 17 1H5* T 17 -16.176 -18.825 1.898 182 2H5* T 17 2H5* T 17 -15.870 -18.885 0.148 183 H4* T 17 H4* T 17 -17.022 -16.882 0.513 184 H3* T 17 H3* T 17 -14.685 -16.664 -0.737 185 1H2* T 17 1H2* T 17 -13.256 -16.314 1.155 186 2H2* T 17 2H2* T 17 -13.614 -14.649 0.716 187 H1* T 17 H1* T 17 -15.242 -14.394 2.417 188 H3 T 17 H3 T 17 -13.628 -14.670 6.562 189 1H5M T 17 1H5M T 17 -12.005 -19.101 5.248 190 2H5M T 17 2H5M T 17 -10.625 -17.980 5.164 191 3H5M T 17 3H5M T 17 -11.357 -18.605 3.667 192 H6 T 17 H6 T 17 -13.136 -17.412 2.693 193 1H5* G 18 1H5* G 18 -16.656 -13.183 0.445 194 2H5* G 18 2H5* G 18 -17.198 -11.814 -0.547 195 H4* G 18 H4* G 18 -16.678 -10.756 1.393 196 H3* G 18 H3* G 18 -14.760 -10.301 -0.617 197 H1* G 18 H1* G 18 -14.314 -10.559 3.163 198 H8 G 18 H8 G 18 -12.742 -13.693 1.498 199 H1 G 18 H1 G 18 -10.590 -12.215 7.365 200 1H2 G 18 1H2 G 18 -11.534 -10.339 8.059 201 2H2 G 18 2H2 G 18 -12.687 -9.459 7.080 202 1H2* G 18 1H2* G 18 -12.904 -11.224 0.524 203 2H2* G 18 2H2* G 18 -12.949 -9.681 1.366 204 1H5* T 19 1H5* T 19 -14.237 -8.783 3.890 205 2H5* T 19 2H5* T 19 -15.372 -7.604 3.200 206 H4* T 19 H4* T 19 -14.694 -6.344 4.915 207 H3* T 19 H3* T 19 -13.477 -5.385 2.749 208 1H2* T 19 1H2* T 19 -11.401 -6.518 2.795 209 2H2* T 19 2H2* T 19 -10.968 -5.190 3.864 210 H1* T 19 H1* T 19 -11.082 -6.489 5.781 211 H3 T 19 H3 T 19 -8.643 -10.227 5.957 212 1H5M T 19 1H5M T 19 -9.416 -11.053 1.464 213 2H5M T 19 2H5M T 19 -11.129 -11.394 1.809 214 3H5M T 19 3H5M T 19 -10.669 -9.876 1.003 215 H6 T 19 H6 T 19 -11.592 -8.407 2.680 216 1H5* G 20 1H5* G 20 -11.698 -5.260 6.584 217 2H5* G 20 2H5* G 20 -12.331 -3.704 7.161 218 H4* G 20 H4* G 20 -10.765 -3.935 8.724 219 H3* G 20 H3* G 20 -9.791 -2.218 6.837 220 H1* G 20 H1* G 20 -7.614 -5.129 8.323 221 H8 G 20 H8 G 20 -8.815 -5.577 4.669 222 H1 G 20 H1 G 20 -4.449 -9.818 6.713 223 1H2 G 20 1H2 G 20 -3.942 -9.432 8.819 224 2H2 G 20 2H2 G 20 -4.675 -8.132 9.734 225 1H2* G 20 1H2* G 20 -8.222 -3.618 5.756 226 2H2* G 20 2H2* G 20 -7.218 -3.138 7.118 227 1H5* G 21 1H5* G 21 -7.358 -4.244 9.540 228 2H5* G 21 2H5* G 21 -7.634 -3.193 10.944 229 H4* G 21 H4* G 21 -5.988 -4.407 11.837 230 H3* G 21 H3* G 21 -4.926 -2.050 11.200 231 H1* G 21 H1* G 21 -3.100 -5.275 9.876 232 H8 G 21 H8 G 21 -5.426 -3.521 7.309 233 H1 G 21 H1 G 21 -1.681 -8.210 5.022 234 1H2 G 21 1H2 G 21 -0.493 -9.091 6.661 235 2H2 G 21 2H2 G 21 -0.620 -8.523 8.311 236 1H2* G 21 1H2* G 21 -4.102 -2.546 9.012 237 2H2* G 21 2H2* G 21 -2.684 -2.953 9.966 238 1H5* C 22 1H5* C 22 -2.009 -5.602 11.027 239 2H5* C 22 2H5* C 22 -1.656 -5.387 12.754 240 H4* C 22 H4* C 22 0.242 -6.444 12.230 241 H3* C 22 H3* C 22 0.874 -3.876 12.509 242 H1* C 22 H1* C 22 1.933 -5.622 9.136 243 1H4 C 22 1H4 C 22 -1.329 -4.163 3.915 244 2H4 C 22 2H4 C 22 -2.327 -3.019 4.784 245 H5 C 22 H5 C 22 -2.146 -2.665 7.174 246 H6 C 22 H6 C 22 -0.973 -3.331 9.202 247 1H2* C 22 1H2* C 22 0.610 -3.134 10.251 248 2H2* C 22 2H2* C 22 2.314 -3.570 10.224 249 1H5* C 23 1H5* C 23 3.820 -6.957 11.774 250 2H5* C 23 2H5* C 23 5.439 -7.002 12.503 251 H4* C 23 H4* C 23 5.548 -8.149 10.441 252 H3* C 23 H3* C 23 7.287 -6.100 10.935 253 H1* C 23 H1* C 23 5.601 -6.675 7.543 254 1H4 C 23 1H4 C 23 1.980 -2.192 4.903 255 2H4 C 23 2H4 C 23 1.727 -1.397 6.438 256 H5 C 23 H5 C 23 2.662 -2.216 8.513 257 H6 C 23 H6 C 23 4.053 -3.944 9.530 258 1H2* C 23 1H2* C 23 6.243 -4.450 9.547 259 2H2* C 23 2H2* C 23 7.329 -5.198 8.382 260 1H5* C 24 1H5* C 24 7.288 -8.464 7.385 261 2H5* C 24 2H5* C 24 8.536 -9.717 7.558 262 H4* C 24 H4* C 24 8.093 -9.929 5.353 263 H3* C 24 H3* C 24 10.531 -8.884 5.704 264 H1* C 24 H1* C 24 8.071 -7.072 3.219 265 1H4 C 24 1H4 C 24 5.878 -1.392 4.963 266 2H4 C 24 2H4 C 24 6.286 -1.676 6.643 267 H5 C 24 H5 C 24 7.369 -3.696 7.408 268 H6 C 24 H6 C 24 8.224 -5.879 6.737 269 1H2* C 24 1H2* C 24 10.038 -6.564 5.472 270 2H2* C 24 2H2* C 24 10.354 -6.959 3.788 271 1H5* T 25 1H5* T 25 8.626 -7.568 1.460 272 2H5* T 25 2H5* T 25 9.212 -9.186 1.017 273 H4* T 25 H4* T 25 9.317 -8.291 -1.032 274 H3* T 25 H3* T 25 11.813 -8.429 -0.114 275 1H2* T 25 1H2* T 25 12.190 -6.285 0.784 276 2H2* T 25 2H2* T 25 12.521 -5.863 -0.891 277 H1* T 25 H1* T 25 10.538 -4.727 -1.153 278 H3 T 25 H3 T 25 8.800 -1.906 1.936 279 1H5M T 25 1H5M T 25 10.667 -4.469 5.359 280 2H5M T 25 2H5M T 25 11.652 -5.677 4.498 281 3H5M T 25 3H5M T 25 12.261 -4.017 4.709 282 H6 T 25 H6 T 25 11.481 -5.835 2.149 283 1H5* G 26 1H5* G 26 10.666 -5.433 -2.285 284 2H5* G 26 2H5* G 26 10.916 -5.653 -4.028 285 H4* G 26 H4* G 26 10.675 -3.446 -4.093 286 H3* G 26 H3* G 26 13.446 -3.966 -3.945 287 H1* G 26 H1* G 26 11.385 -1.098 -2.491 288 H8 G 26 H8 G 26 12.850 -3.277 0.375 289 H1 G 26 H1 G 26 10.829 2.596 2.013 290 1H2 G 26 1H2 G 26 10.065 3.654 0.230 291 2H2 G 26 2H2 G 26 10.060 2.916 -1.357 292 1H2* G 26 1H2* G 26 13.850 -2.822 -1.913 293 2H2* G 26 2H2* G 26 13.738 -1.404 -2.946 294 1H5* A 27 1H5* A 27 11.299 -0.330 -4.967 295 2H5* A 27 2H5* A 27 11.363 -0.480 -6.734 296 H4* A 27 H4* A 27 10.439 1.589 -6.512 297 H3* A 27 H3* A 27 12.820 1.778 -7.639 298 H1* A 27 H1* A 27 12.368 3.875 -4.262 299 H8 A 27 H8 A 27 14.150 0.447 -4.182 300 1H6 A 27 1H6 A 27 15.204 1.669 1.786 301 2H6 A 27 2H6 A 27 15.496 0.552 0.469 302 H2 A 27 H2 A 27 12.666 4.979 0.113 303 1H2* A 27 1H2* A 27 14.226 2.029 -5.736 304 2H2* A 27 2H2* A 27 13.870 3.725 -6.034 305 1H5* G 28 1H5* G 28 11.507 4.834 -4.810 306 2H5* G 28 2H5* G 28 10.811 6.000 -5.953 307 H4* G 28 H4* G 28 11.089 7.376 -4.198 308 H3* G 28 H3* G 28 12.981 7.912 -6.082 309 H1* G 28 H1* G 28 13.784 7.764 -2.313 310 H8 G 28 H8 G 28 15.067 4.617 -4.185 311 H1 G 28 H1 G 28 17.320 5.469 1.767 312 1H2 G 28 1H2 G 28 16.449 7.288 2.654 313 2H2 G 28 2H2 G 28 15.320 8.301 1.784 314 1H2* G 28 1H2* G 28 14.840 6.843 -5.030 315 2H2* G 28 2H2* G 28 14.960 8.436 -4.298 316 1H5* C 29 1H5* C 29 12.372 11.347 -2.728 317 2H5* C 29 2H5* C 29 12.946 12.907 -3.353 318 H4* C 29 H4* C 29 13.469 12.468 -0.962 319 H3* C 29 H3* C 29 15.063 13.786 -2.755 320 H1* C 29 H1* C 29 16.391 11.142 -0.273 321 1H4 C 29 1H4 C 29 19.335 5.972 -2.431 322 2H4 C 29 2H4 C 29 18.612 6.136 -4.017 323 H5 C 29 H5 C 29 17.094 7.930 -4.592 324 H6 C 29 H6 C 29 15.970 9.933 -3.769 325 1H2* C 29 1H2* C 29 16.640 12.054 -3.179 326 2H2* C 29 2H2* C 29 17.375 12.758 -1.745 327 1H5* C 30 1H5* C 30 15.679 13.993 1.635 328 2H5* C 30 2H5* C 30 16.028 15.572 2.369 329 H4* C 30 H4* C 30 16.988 13.908 3.749 330 H3* C 30 H3* C 30 18.538 15.951 2.899 331 H1* C 30 H1* C 30 19.809 12.317 2.800 332 1H4 C 30 1H4 C 30 21.210 9.487 -2.679 333 2H4 C 30 2H4 C 30 20.241 10.617 -3.596 334 H5 C 30 H5 C 30 19.041 12.453 -2.572 335 H6 C 30 H6 C 30 18.501 13.554 -0.463 336 H3T C 30 H3T C 30 18.432 14.512 4.938 337 1H2* C 30 1H2* C 30 19.616 14.833 1.077 338 2H2* C 30 2H2* C 30 20.749 14.491 2.375 339 1H ASP 10 1H ASP 10 -4.228 14.466 9.412 340 HA ASP 10 HA ASP 10 -6.842 14.104 10.399 341 1HB ASP 10 1HB ASP 10 -5.458 16.181 10.634 342 2HB ASP 10 2HB ASP 10 -5.767 16.514 8.933 343 H GLU 11 H GLU 11 -5.534 14.075 7.247 344 HA GLU 11 HA GLU 11 -7.886 14.661 5.774 345 1HB GLU 11 1HB GLU 11 -5.487 13.035 4.928 346 2HB GLU 11 2HB GLU 11 -6.673 13.758 3.860 347 1HG GLU 11 1HG GLU 11 -4.811 15.275 5.658 348 2HG GLU 11 2HG GLU 11 -4.605 15.021 3.927 349 H LEU 12 H LEU 12 -9.345 13.266 4.794 350 HA LEU 12 HA LEU 12 -9.411 10.571 5.968 351 1HB LEU 12 1HB LEU 12 -11.733 12.235 4.993 352 2HB LEU 12 2HB LEU 12 -11.839 10.639 5.708 353 HG LEU 12 HG LEU 12 -10.882 13.129 7.124 354 1HD1 LEU 12 1HD1 LEU 12 -12.950 12.912 8.406 355 2HD1 LEU 12 2HD1 LEU 12 -13.437 11.555 7.389 356 3HD1 LEU 12 3HD1 LEU 12 -13.272 13.167 6.691 357 1HD2 LEU 12 1HD2 LEU 12 -9.769 11.119 7.945 358 2HD2 LEU 12 2HD2 LEU 12 -11.333 10.332 8.159 359 3HD2 LEU 12 3HD2 LEU 12 -10.913 11.740 9.133 360 H CYS 13 H CYS 13 -9.999 8.832 4.709 361 HA CYS 13 HA CYS 13 -9.118 8.935 1.993 362 1HB CYS 13 1HB CYS 13 -8.784 6.976 3.491 363 2HB CYS 13 2HB CYS 13 -10.519 6.709 3.497 364 HG CYS 13 HG CYS 13 -8.830 6.696 0.543 365 HA PRO 14 HA PRO 14 -13.178 10.199 0.602 366 1HB PRO 14 1HB PRO 14 -12.540 10.542 -2.009 367 2HB PRO 14 2HB PRO 14 -12.101 11.702 -0.750 368 1HG PRO 14 1HG PRO 14 -10.432 9.600 -2.060 369 2HG PRO 14 2HG PRO 14 -9.995 11.255 -1.598 370 1HD PRO 14 1HD PRO 14 -9.322 9.047 -0.137 371 2HD PRO 14 2HD PRO 14 -9.542 10.661 0.566 372 H VAL 15 H VAL 15 -11.783 7.278 0.218 373 HA VAL 15 HA VAL 15 -13.728 6.271 -1.718 374 HB VAL 15 HB VAL 15 -11.549 4.758 -0.255 375 1HG1 VAL 15 1HG1 VAL 15 -11.944 3.004 -1.913 376 2HG1 VAL 15 2HG1 VAL 15 -13.265 3.951 -2.598 377 3HG1 VAL 15 3HG1 VAL 15 -13.390 3.325 -0.954 378 1HG2 VAL 15 1HG2 VAL 15 -10.332 4.804 -2.369 379 2HG2 VAL 15 2HG2 VAL 15 -10.603 6.431 -1.742 380 3HG2 VAL 15 3HG2 VAL 15 -11.590 5.822 -3.071 381 H CYS 16 H CYS 16 -12.588 5.378 1.545 382 HA CYS 16 HA CYS 16 -15.148 4.043 2.009 383 1HB CYS 16 1HB CYS 16 -13.913 3.035 3.966 384 2HB CYS 16 2HB CYS 16 -13.276 2.619 2.378 385 HG CYS 16 HG CYS 16 -11.544 3.542 4.818 386 H GLY 17 H GLY 17 -13.477 6.889 2.865 387 1HA GLY 17 1HA GLY 17 -14.351 8.656 4.122 388 2HA GLY 17 2HA GLY 17 -15.555 7.564 4.789 389 H ASP 18 H ASP 18 -12.697 6.000 5.016 390 HA ASP 18 HA ASP 18 -12.508 6.458 7.861 391 1HB ASP 18 1HB ASP 18 -12.191 4.234 6.472 392 2HB ASP 18 2HB ASP 18 -10.539 4.811 6.302 393 H LYS 19 H LYS 19 -9.933 6.438 8.566 394 HA LYS 19 HA LYS 19 -8.983 9.009 7.619 395 1HB LYS 19 1HB LYS 19 -7.935 7.116 9.727 396 2HB LYS 19 2HB LYS 19 -7.149 8.632 9.310 397 1HG LYS 19 1HG LYS 19 -9.316 9.780 9.889 398 2HG LYS 19 2HG LYS 19 -9.854 8.235 10.554 399 1HD LYS 19 1HD LYS 19 -8.921 9.701 12.290 400 2HD LYS 19 2HD LYS 19 -7.972 8.225 12.101 401 1HE LYS 19 1HE LYS 19 -6.344 9.430 10.748 402 2HE LYS 19 2HE LYS 19 -7.306 10.900 10.873 403 1HZ LYS 19 1HZ LYS 19 -6.094 9.487 13.187 404 2HZ LYS 19 2HZ LYS 19 -6.893 10.985 13.216 405 3HZ LYS 19 3HZ LYS 19 -5.408 10.830 12.415 406 H VAL 20 H VAL 20 -6.817 9.359 6.835 407 HA VAL 20 HA VAL 20 -5.929 7.165 5.123 408 HB VAL 20 HB VAL 20 -4.559 8.782 3.961 409 1HG1 VAL 20 1HG1 VAL 20 -7.315 9.873 4.499 410 2HG1 VAL 20 2HG1 VAL 20 -6.886 8.652 3.300 411 3HG1 VAL 20 3HG1 VAL 20 -6.290 10.304 3.130 412 1HG2 VAL 20 1HG2 VAL 20 -5.453 10.777 6.041 413 2HG2 VAL 20 2HG2 VAL 20 -4.510 11.150 4.598 414 3HG2 VAL 20 3HG2 VAL 20 -3.826 10.123 5.857 415 H SER 21 H SER 21 -3.671 6.595 4.999 416 HA SER 21 HA SER 21 -2.234 7.063 7.521 417 1HB SER 21 1HB SER 21 -0.876 5.050 6.776 418 2HB SER 21 2HB SER 21 -2.566 4.721 7.162 419 HG SER 21 HG SER 21 -1.973 3.720 5.209 420 H GLY 22 H GLY 22 -2.387 8.049 4.360 421 1HA GLY 22 1HA GLY 22 -0.506 9.896 4.236 422 2HA GLY 22 2HA GLY 22 0.479 8.455 4.025 423 H TYR 23 H TYR 23 0.890 9.756 1.986 424 HA TYR 23 HA TYR 23 -1.176 9.687 -0.021 425 1HB TYR 23 1HB TYR 23 0.636 11.464 0.200 426 2HB TYR 23 2HB TYR 23 1.767 10.263 -0.413 427 HD1 TYR 23 HD1 TYR 23 1.471 9.387 -2.738 428 HD2 TYR 23 HD2 TYR 23 -0.787 12.671 -1.260 429 HE1 TYR 23 HE1 TYR 23 0.916 10.033 -5.041 430 HE2 TYR 23 HE2 TYR 23 -1.350 13.326 -3.563 431 HH TYR 23 HH TYR 23 -0.259 12.992 -5.893 432 H HIS 24 H HIS 24 -1.698 7.839 -0.999 433 HA HIS 24 HA HIS 24 0.459 5.981 -1.751 434 1HB HIS 24 1HB HIS 24 -2.266 5.039 -0.840 435 2HB HIS 24 2HB HIS 24 -0.848 4.058 -1.172 436 HD1 HIS 24 HD1 HIS 24 1.282 4.962 0.586 437 HD2 HIS 24 HD2 HIS 24 -2.687 5.172 1.794 438 HE1 HIS 24 HE1 HIS 24 1.342 5.015 3.101 439 HE2 HIS 24 HE2 HIS 24 -1.082 4.943 3.806 440 H TYR 25 H TYR 25 0.267 5.097 -3.766 441 HA TYR 25 HA TYR 25 -0.440 4.731 -5.880 442 1HB TYR 25 1HB TYR 25 -3.120 5.248 -4.612 443 2HB TYR 25 2HB TYR 25 -2.967 5.019 -6.350 444 HD1 TYR 25 HD1 TYR 25 -2.887 2.877 -7.259 445 HD2 TYR 25 HD2 TYR 25 -2.255 3.378 -3.082 446 HE1 TYR 25 HE1 TYR 25 -2.967 0.440 -6.963 447 HE2 TYR 25 HE2 TYR 25 -2.334 0.938 -2.773 448 HH TYR 25 HH TYR 25 -2.335 -1.246 -5.473 449 H GLY 26 H GLY 26 -2.750 7.315 -5.102 450 1HA GLY 26 1HA GLY 26 -1.142 9.255 -6.537 451 2HA GLY 26 2HA GLY 26 -2.624 8.781 -7.343 452 H LEU 27 H LEU 27 -2.643 8.785 -3.913 453 HA LEU 27 HA LEU 27 -3.166 11.481 -3.371 454 1HB LEU 27 1HB LEU 27 -5.509 11.603 -3.109 455 2HB LEU 27 2HB LEU 27 -5.249 10.931 -4.706 456 HG LEU 27 HG LEU 27 -5.763 9.109 -2.380 457 1HD1 LEU 27 1HD1 LEU 27 -7.851 10.530 -4.024 458 2HD1 LEU 27 2HD1 LEU 27 -7.526 10.789 -2.310 459 3HD1 LEU 27 3HD1 LEU 27 -8.152 9.236 -2.863 460 1HD2 LEU 27 1HD2 LEU 27 -5.044 8.145 -4.520 461 2HD2 LEU 27 2HD2 LEU 27 -6.404 8.932 -5.324 462 3HD2 LEU 27 3HD2 LEU 27 -6.697 7.680 -4.117 463 H LEU 28 H LEU 28 -4.649 11.450 -1.141 464 HA LEU 28 HA LEU 28 -3.104 9.709 0.571 465 1HB LEU 28 1HB LEU 28 -5.134 11.853 1.156 466 2HB LEU 28 2HB LEU 28 -4.447 10.842 2.413 467 HG LEU 28 HG LEU 28 -2.160 11.658 1.539 468 1HD1 LEU 28 1HD1 LEU 28 -3.944 13.788 0.378 469 2HD1 LEU 28 2HD1 LEU 28 -2.930 12.663 -0.526 470 3HD1 LEU 28 3HD1 LEU 28 -2.188 13.876 0.517 471 1HD2 LEU 28 1HD2 LEU 28 -3.071 12.266 3.699 472 2HD2 LEU 28 2HD2 LEU 28 -4.035 13.541 2.955 473 3HD2 LEU 28 3HD2 LEU 28 -2.274 13.650 2.951 474 H THR 29 H THR 29 -3.677 7.780 1.154 475 HA THR 29 HA THR 29 -6.504 7.025 1.274 476 HB THR 29 HB THR 29 -5.689 4.796 0.169 477 HG1 THR 29 HG1 THR 29 -4.032 6.457 -1.350 478 1HG2 THR 29 1HG2 THR 29 -6.342 5.643 -2.038 479 2HG2 THR 29 2HG2 THR 29 -6.156 7.299 -1.458 480 3HG2 THR 29 3HG2 THR 29 -7.407 6.259 -0.775 481 H CYS 30 H CYS 30 -6.294 4.407 1.841 482 HA CYS 30 HA CYS 30 -4.498 4.233 4.155 483 1HB CYS 30 1HB CYS 30 -6.400 3.073 5.351 484 2HB CYS 30 2HB CYS 30 -6.628 4.798 5.083 485 HG CYS 30 HG CYS 30 -9.041 4.328 4.307 486 H GLU 31 H GLU 31 -3.979 2.067 4.801 487 HA GLU 31 HA GLU 31 -3.403 0.293 2.749 488 1HB GLU 31 1HB GLU 31 -3.408 0.147 5.713 489 2HB GLU 31 2HB GLU 31 -3.345 -1.377 4.842 490 1HG GLU 31 1HG GLU 31 -1.128 -0.473 5.489 491 2HG GLU 31 2HG GLU 31 -1.313 -0.769 3.762 492 H SER 32 H SER 32 -6.349 0.654 4.539 493 HA SER 32 HA SER 32 -7.484 -1.875 4.122 494 1HB SER 32 1HB SER 32 -8.435 -0.144 5.638 495 2HB SER 32 2HB SER 32 -8.923 0.791 4.224 496 HG SER 32 HG SER 32 -10.010 -1.522 5.298 497 H CYS 33 H CYS 33 -7.943 1.121 2.213 498 HA CYS 33 HA CYS 33 -9.257 -0.247 0.078 499 1HB CYS 33 1HB CYS 33 -7.979 2.497 0.093 500 2HB CYS 33 2HB CYS 33 -9.111 1.893 -1.115 501 HG CYS 33 HG CYS 33 -9.928 3.720 1.257 502 H LYS 34 H LYS 34 -5.997 0.968 0.629 503 HA LYS 34 HA LYS 34 -4.661 0.394 -1.687 504 1HB LYS 34 1HB LYS 34 -3.689 1.346 0.362 505 2HB LYS 34 2HB LYS 34 -3.810 -0.214 1.151 506 1HG LYS 34 1HG LYS 34 -2.224 -1.074 -0.636 507 2HG LYS 34 2HG LYS 34 -1.949 0.626 -1.047 508 1HD LYS 34 1HD LYS 34 -1.464 1.008 1.401 509 2HD LYS 34 2HD LYS 34 -1.464 -0.742 1.592 510 1HE LYS 34 1HE LYS 34 0.366 -0.888 -0.054 511 2HE LYS 34 2HE LYS 34 0.384 0.872 -0.160 512 1HZ LYS 34 1HZ LYS 34 0.732 0.814 2.349 513 2HZ LYS 34 2HZ LYS 34 2.048 0.351 1.378 514 3HZ LYS 34 3HZ LYS 34 1.113 -0.829 2.151 515 H GLY 35 H GLY 35 -5.192 -1.916 0.978 516 1HA GLY 35 1HA GLY 35 -4.122 -4.143 -0.435 517 2HA GLY 35 2HA GLY 35 -5.034 -4.204 1.065 518 H PHE 36 H PHE 36 -7.444 -3.057 0.214 519 HA PHE 36 HA PHE 36 -8.753 -5.280 -0.896 520 1HB PHE 36 1HB PHE 36 -9.972 -3.692 0.467 521 2HB PHE 36 2HB PHE 36 -9.635 -2.393 -0.672 522 HD1 PHE 36 HD1 PHE 36 -11.451 -5.598 -0.281 523 HD2 PHE 36 HD2 PHE 36 -11.067 -1.973 -2.476 524 HE1 PHE 36 HE1 PHE 36 -13.554 -6.093 -1.460 525 HE2 PHE 36 HE2 PHE 36 -13.167 -2.462 -3.660 526 HZ PHE 36 HZ PHE 36 -14.414 -4.523 -3.152 527 H PHE 37 H PHE 37 -7.703 -2.230 -2.343 528 HA PHE 37 HA PHE 37 -8.756 -2.592 -4.895 529 1HB PHE 37 1HB PHE 37 -7.722 -0.493 -3.960 530 2HB PHE 37 2HB PHE 37 -6.144 -1.219 -4.237 531 HD1 PHE 37 HD1 PHE 37 -5.135 -0.060 -5.944 532 HD2 PHE 37 HD2 PHE 37 -9.227 -1.158 -6.323 533 HE1 PHE 37 HE1 PHE 37 -5.153 0.812 -8.244 534 HE2 PHE 37 HE2 PHE 37 -9.251 -0.294 -8.621 535 HZ PHE 37 HZ PHE 37 -7.213 0.696 -9.586 536 H LYS 38 H LYS 38 -5.508 -3.438 -3.647 537 HA LYS 38 HA LYS 38 -4.662 -4.700 -6.024 538 1HB LYS 38 1HB LYS 38 -3.740 -4.744 -3.202 539 2HB LYS 38 2HB LYS 38 -3.183 -6.035 -4.259 540 1HG LYS 38 1HG LYS 38 -2.329 -4.350 -5.832 541 2HG LYS 38 2HG LYS 38 -2.836 -3.079 -4.716 542 1HD LYS 38 1HD LYS 38 -0.869 -5.273 -4.064 543 2HD LYS 38 2HD LYS 38 -0.431 -3.628 -4.528 544 1HE LYS 38 1HE LYS 38 -2.041 -4.433 -2.109 545 2HE LYS 38 2HE LYS 38 -0.361 -3.892 -2.110 546 1HZ LYS 38 1HZ LYS 38 -1.802 -2.083 -1.513 547 2HZ LYS 38 2HZ LYS 38 -2.732 -2.288 -2.909 548 3HZ LYS 38 3HZ LYS 38 -1.127 -1.760 -3.032 549 H ARG 39 H ARG 39 -6.254 -6.030 -3.142 550 HA ARG 39 HA ARG 39 -6.155 -8.720 -3.991 551 1HB ARG 39 1HB ARG 39 -7.773 -7.235 -1.961 552 2HB ARG 39 2HB ARG 39 -8.179 -8.903 -2.350 553 1HG ARG 39 1HG ARG 39 -5.929 -9.604 -1.759 554 2HG ARG 39 2HG ARG 39 -5.490 -7.934 -1.409 555 1HD ARG 39 1HD ARG 39 -7.805 -9.201 -0.008 556 2HD ARG 39 2HD ARG 39 -6.161 -9.543 0.524 557 HE ARG 39 HE ARG 39 -7.468 -6.909 0.561 558 1HH1 ARG 39 1HH1 ARG 39 -4.833 -9.021 1.464 559 2HH1 ARG 39 2HH1 ARG 39 -4.247 -7.967 2.717 560 1HH2 ARG 39 1HH2 ARG 39 -6.677 -5.498 2.213 561 2HH2 ARG 39 2HH2 ARG 39 -5.291 -5.968 3.137 562 H THR 40 H THR 40 -8.153 -6.123 -5.003 563 HA THR 40 HA THR 40 -10.173 -7.861 -6.130 564 HB THR 40 HB THR 40 -9.745 -4.894 -6.552 565 HG1 THR 40 HG1 THR 40 -10.220 -5.268 -4.396 566 1HG2 THR 40 1HG2 THR 40 -12.092 -4.895 -7.276 567 2HG2 THR 40 2HG2 THR 40 -12.148 -6.647 -7.095 568 3HG2 THR 40 3HG2 THR 40 -11.102 -5.920 -8.315 569 H VAL 41 H VAL 41 -7.565 -5.764 -7.361 570 HA VAL 41 HA VAL 41 -8.010 -6.462 -10.078 571 HB VAL 41 HB VAL 41 -5.755 -5.428 -10.476 572 1HG1 VAL 41 1HG1 VAL 41 -7.779 -3.819 -8.926 573 2HG1 VAL 41 2HG1 VAL 41 -7.803 -4.133 -10.662 574 3HG1 VAL 41 3HG1 VAL 41 -6.517 -3.151 -9.961 575 1HG2 VAL 41 1HG2 VAL 41 -5.919 -4.831 -7.535 576 2HG2 VAL 41 2HG2 VAL 41 -4.713 -4.208 -8.660 577 3HG2 VAL 41 3HG2 VAL 41 -4.777 -5.933 -8.297 578 H GLN 42 H GLN 42 -5.745 -7.641 -7.633 579 HA GLN 42 HA GLN 42 -4.115 -9.234 -9.225 580 1HB GLN 42 1HB GLN 42 -4.997 -9.501 -6.367 581 2HB GLN 42 2HB GLN 42 -3.945 -10.696 -7.108 582 1HG GLN 42 1HG GLN 42 -2.280 -8.991 -7.552 583 2HG GLN 42 2HG GLN 42 -3.346 -7.756 -6.877 584 1HE2 GLN 42 1HE2 GLN 42 -0.656 -8.674 -6.075 585 2HE2 GLN 42 2HE2 GLN 42 -0.796 -9.109 -4.411 586 H ASN 43 H ASN 43 -7.280 -9.957 -7.842 587 HA ASN 43 HA ASN 43 -7.124 -12.696 -8.828 588 1HB ASN 43 1HB ASN 43 -9.210 -11.285 -7.154 589 2HB ASN 43 2HB ASN 43 -9.316 -12.969 -7.654 590 1HD2 ASN 43 1HD2 ASN 43 -9.171 -11.748 -4.994 591 2HD2 ASN 43 2HD2 ASN 43 -7.817 -12.485 -4.207 592 H ASN 44 H ASN 44 -7.775 -9.867 -10.201 593 HA ASN 44 HA ASN 44 -8.862 -9.188 -12.081 594 1HB ASN 44 1HB ASN 44 -9.245 -12.167 -12.463 595 2HB ASN 44 2HB ASN 44 -9.602 -10.955 -13.685 596 1HD2 ASN 44 1HD2 ASN 44 -7.111 -12.568 -11.899 597 2HD2 ASN 44 2HD2 ASN 44 -5.790 -12.106 -12.921 598 H LYS 45 H LYS 45 -10.249 -9.257 -9.643 599 HA LYS 45 HA LYS 45 -12.798 -10.508 -9.907 600 1HB LYS 45 1HB LYS 45 -11.834 -8.397 -7.977 601 2HB LYS 45 2HB LYS 45 -13.321 -9.311 -7.825 602 1HG LYS 45 1HG LYS 45 -12.046 -11.377 -7.616 603 2HG LYS 45 2HG LYS 45 -10.547 -10.461 -7.773 604 1HD LYS 45 1HD LYS 45 -11.001 -10.940 -5.435 605 2HD LYS 45 2HD LYS 45 -11.122 -9.206 -5.737 606 1HE LYS 45 1HE LYS 45 -13.547 -9.383 -5.845 607 2HE LYS 45 2HE LYS 45 -13.443 -11.123 -5.585 608 1HZ LYS 45 1HZ LYS 45 -12.588 -9.026 -3.669 609 2HZ LYS 45 2HZ LYS 45 -12.463 -10.696 -3.417 610 3HZ LYS 45 3HZ LYS 45 -13.991 -9.969 -3.547 611 H HIS 46 H HIS 46 -14.415 -9.805 -11.096 612 HA HIS 46 HA HIS 46 -14.795 -6.894 -11.354 613 1HB HIS 46 1HB HIS 46 -15.468 -9.064 -13.353 614 2HB HIS 46 2HB HIS 46 -15.952 -7.378 -13.511 615 HD1 HIS 46 HD1 HIS 46 -13.797 -9.335 -15.167 616 HD2 HIS 46 HD2 HIS 46 -13.109 -5.931 -12.881 617 HE1 HIS 46 HE1 HIS 46 -11.618 -8.389 -15.998 618 HE2 HIS 46 HE2 HIS 46 -11.332 -6.218 -14.745 619 H TYR 47 H TYR 47 -17.011 -6.178 -11.376 620 HA TYR 47 HA TYR 47 -18.914 -8.084 -10.238 621 1HB TYR 47 1HB TYR 47 -17.998 -5.530 -8.927 622 2HB TYR 47 2HB TYR 47 -19.522 -6.304 -8.517 623 HD1 TYR 47 HD1 TYR 47 -15.899 -6.421 -8.165 624 HD2 TYR 47 HD2 TYR 47 -19.541 -8.474 -7.386 625 HE1 TYR 47 HE1 TYR 47 -14.743 -7.843 -6.525 626 HE2 TYR 47 HE2 TYR 47 -18.396 -9.899 -5.748 627 HH TYR 47 HH TYR 47 -16.059 -10.685 -5.324 628 H THR 48 H THR 48 -21.077 -7.019 -9.925 629 HA THR 48 HA THR 48 -21.617 -4.814 -11.753 630 HB THR 48 HB THR 48 -23.086 -7.456 -11.962 631 HG1 THR 48 HG1 THR 48 -21.212 -6.176 -13.702 632 1HG2 THR 48 1HG2 THR 48 -24.213 -6.412 -13.879 633 2HG2 THR 48 2HG2 THR 48 -23.362 -4.902 -13.554 634 3HG2 THR 48 3HG2 THR 48 -24.528 -5.525 -12.388 635 H CYS 49 H CYS 49 -22.238 -3.539 -10.050 636 HA CYS 49 HA CYS 49 -23.955 -4.471 -7.972 637 1HB CYS 49 1HB CYS 49 -22.303 -2.622 -7.687 638 2HB CYS 49 2HB CYS 49 -23.308 -1.614 -8.724 639 HG CYS 49 HG CYS 49 -25.471 -2.468 -6.662 640 H THR 50 H THR 50 -24.452 -3.376 -11.130 641 HA THR 50 HA THR 50 -26.324 -3.337 -12.405 642 HB THR 50 HB THR 50 -27.941 -3.835 -9.897 643 HG1 THR 50 HG1 THR 50 -26.516 -5.528 -10.033 644 1HG2 THR 50 1HG2 THR 50 -29.548 -4.841 -11.457 645 2HG2 THR 50 2HG2 THR 50 -28.500 -4.419 -12.811 646 3HG2 THR 50 3HG2 THR 50 -29.254 -3.148 -11.849 647 H GLU 51 H GLU 51 -27.680 -1.787 -13.150 648 HA GLU 51 HA GLU 51 -28.875 0.120 -13.331 649 1HB GLU 51 1HB GLU 51 -28.801 0.201 -10.312 650 2HB GLU 51 2HB GLU 51 -29.801 1.223 -11.337 651 1HG GLU 51 1HG GLU 51 -30.926 -0.790 -12.198 652 2HG GLU 51 2HG GLU 51 -29.966 -1.771 -11.094 653 H SER 52 H SER 52 -27.189 1.186 -10.411 654 HA SER 52 HA SER 52 -26.107 3.403 -11.967 655 1HB SER 52 1HB SER 52 -25.530 4.305 -9.668 656 2HB SER 52 2HB SER 52 -27.252 4.083 -9.982 657 HG SER 52 HG SER 52 -26.981 3.139 -8.052 658 H GLN 53 H GLN 53 -25.095 0.652 -10.058 659 HA GLN 53 HA GLN 53 -23.130 -0.466 -9.877 660 1HB GLN 53 1HB GLN 53 -22.379 1.224 -12.263 661 2HB GLN 53 2HB GLN 53 -21.393 -0.087 -11.632 662 1HG GLN 53 1HG GLN 53 -23.082 -1.696 -12.151 663 2HG GLN 53 2HG GLN 53 -24.219 -0.422 -12.596 664 1HE2 GLN 53 1HE2 GLN 53 -21.380 -2.192 -13.554 665 2HE2 GLN 53 2HE2 GLN 53 -21.376 -1.677 -15.206 666 H SER 54 H SER 54 -23.550 2.503 -8.917 667 HA SER 54 HA SER 54 -21.021 2.598 -7.531 668 1HB SER 54 1HB SER 54 -20.817 5.102 -8.123 669 2HB SER 54 2HB SER 54 -20.311 3.927 -9.336 670 HG SER 54 HG SER 54 -22.407 4.185 -10.297 671 H CYS 55 H CYS 55 -22.329 2.127 -5.766 672 HA CYS 55 HA CYS 55 -24.401 3.993 -4.984 673 1HB CYS 55 1HB CYS 55 -23.315 1.571 -3.534 674 2HB CYS 55 2HB CYS 55 -24.777 2.461 -3.119 675 HG CYS 55 HG CYS 55 -24.706 -0.174 -4.808 676 H LYS 56 H LYS 56 -24.341 4.482 -2.486 677 HA LYS 56 HA LYS 56 -22.173 6.288 -2.110 678 1HB LYS 56 1HB LYS 56 -24.314 5.392 -0.170 679 2HB LYS 56 2HB LYS 56 -23.251 6.776 0.046 680 1HG LYS 56 1HG LYS 56 -24.236 7.882 -1.858 681 2HG LYS 56 2HG LYS 56 -25.241 6.468 -2.190 682 1HD LYS 56 1HD LYS 56 -26.369 6.749 -0.054 683 2HD LYS 56 2HD LYS 56 -25.337 8.129 0.325 684 1HE LYS 56 1HE LYS 56 -27.536 8.842 -0.469 685 2HE LYS 56 2HE LYS 56 -26.253 9.355 -1.564 686 1HZ LYS 56 1HZ LYS 56 -26.854 7.750 -3.132 687 2HZ LYS 56 2HZ LYS 56 -28.332 8.376 -2.590 688 3HZ LYS 56 3HZ LYS 56 -27.795 6.871 -2.028 689 H ILE 57 H ILE 57 -20.208 5.342 -1.809 690 HA ILE 57 HA ILE 57 -19.871 3.061 -0.110 691 HB ILE 57 HB ILE 57 -17.711 4.925 -1.111 692 1HG1 ILE 57 1HG1 ILE 57 -19.033 4.047 -2.985 693 2HG1 ILE 57 2HG1 ILE 57 -17.427 3.324 -2.958 694 1HG2 ILE 57 1HG2 ILE 57 -16.254 2.970 -0.799 695 2HG2 ILE 57 2HG2 ILE 57 -17.622 2.060 -0.158 696 3HG2 ILE 57 3HG2 ILE 57 -17.012 3.466 0.714 697 1HD1 ILE 57 1HD1 ILE 57 -18.364 1.317 -1.913 698 2HD1 ILE 57 2HD1 ILE 57 -19.118 1.666 -3.468 699 3HD1 ILE 57 3HD1 ILE 57 -19.968 2.046 -1.971 700 H ASP 58 H ASP 58 -20.568 3.490 1.888 701 HA ASP 58 HA ASP 58 -19.100 5.526 3.414 702 1HB ASP 58 1HB ASP 58 -21.585 6.056 2.800 703 2HB ASP 58 2HB ASP 58 -21.971 4.849 4.021 704 H LYS 59 H LYS 59 -20.035 4.955 5.904 705 HA LYS 59 HA LYS 59 -18.446 2.794 6.655 706 1HB LYS 59 1HB LYS 59 -20.732 4.085 8.152 707 2HB LYS 59 2HB LYS 59 -19.503 3.054 8.872 708 1HG LYS 59 1HG LYS 59 -17.789 4.650 8.405 709 2HG LYS 59 2HG LYS 59 -18.895 5.633 7.448 710 1HD LYS 59 1HD LYS 59 -19.261 5.066 10.386 711 2HD LYS 59 2HD LYS 59 -18.445 6.498 9.755 712 1HE LYS 59 1HE LYS 59 -21.296 5.706 9.155 713 2HE LYS 59 2HE LYS 59 -20.808 6.922 10.334 714 1HZ LYS 59 1HZ LYS 59 -20.471 7.021 7.385 715 2HZ LYS 59 2HZ LYS 59 -19.699 8.100 8.440 716 3HZ LYS 59 3HZ LYS 59 -21.391 8.061 8.359 717 H THR 60 H THR 60 -21.858 2.913 5.863 718 HA THR 60 HA THR 60 -22.317 0.237 6.869 719 HB THR 60 HB THR 60 -24.662 0.655 5.996 720 HG1 THR 60 HG1 THR 60 -24.986 2.413 4.870 721 1HG2 THR 60 1HG2 THR 60 -23.519 2.604 8.002 722 2HG2 THR 60 2HG2 THR 60 -24.062 0.962 8.347 723 3HG2 THR 60 3HG2 THR 60 -25.224 2.184 7.831 724 H GLN 61 H GLN 61 -21.578 1.714 3.806 725 HA GLN 61 HA GLN 61 -22.591 -0.684 2.421 726 1HB GLN 61 1HB GLN 61 -22.284 2.095 1.281 727 2HB GLN 61 2HB GLN 61 -22.959 0.699 0.453 728 1HG GLN 61 1HG GLN 61 -24.780 0.624 2.092 729 2HG GLN 61 2HG GLN 61 -24.109 2.045 2.885 730 1HE2 GLN 61 1HE2 GLN 61 -25.965 3.229 2.551 731 2HE2 GLN 61 2HE2 GLN 61 -26.409 3.844 0.995 732 H ARG 62 H ARG 62 -19.764 0.622 3.392 733 HA ARG 62 HA ARG 62 -18.206 0.614 1.030 734 1HB ARG 62 1HB ARG 62 -16.248 0.609 2.555 735 2HB ARG 62 2HB ARG 62 -17.432 1.847 2.944 736 1HG ARG 62 1HG ARG 62 -18.329 0.272 4.695 737 2HG ARG 62 2HG ARG 62 -16.910 -0.730 4.396 738 1HD ARG 62 1HD ARG 62 -15.446 1.065 5.053 739 2HD ARG 62 2HD ARG 62 -16.808 2.176 5.196 740 HE ARG 62 HE ARG 62 -17.175 -0.085 6.870 741 1HH1 ARG 62 1HH1 ARG 62 -15.372 2.919 6.666 742 2HH1 ARG 62 2HH1 ARG 62 -15.187 3.066 8.388 743 1HH2 ARG 62 1HH2 ARG 62 -16.937 0.112 9.114 744 2HH2 ARG 62 2HH2 ARG 62 -16.072 1.462 9.780 745 H LYS 63 H LYS 63 -19.047 -1.922 3.316 746 HA LYS 63 HA LYS 63 -17.341 -3.807 1.869 747 1HB LYS 63 1HB LYS 63 -19.075 -4.186 4.313 748 2HB LYS 63 2HB LYS 63 -18.106 -5.450 3.575 749 1HG LYS 63 1HG LYS 63 -16.101 -3.946 3.982 750 2HG LYS 63 2HG LYS 63 -17.171 -2.988 5.009 751 1HD LYS 63 1HD LYS 63 -17.640 -4.934 6.383 752 2HD LYS 63 2HD LYS 63 -16.648 -5.943 5.331 753 1HE LYS 63 1HE LYS 63 -15.332 -5.436 7.232 754 2HE LYS 63 2HE LYS 63 -14.709 -4.454 5.909 755 1HZ LYS 63 1HZ LYS 63 -16.590 -3.491 7.997 756 2HZ LYS 63 2HZ LYS 63 -15.868 -2.552 6.784 757 3HZ LYS 63 3HZ LYS 63 -14.914 -3.229 8.006 758 H ARG 64 H ARG 64 -20.462 -2.609 1.660 759 HA ARG 64 HA ARG 64 -21.742 -5.114 0.973 760 1HB ARG 64 1HB ARG 64 -22.774 -2.278 0.943 761 2HB ARG 64 2HB ARG 64 -23.741 -3.685 0.525 762 1HG ARG 64 1HG ARG 64 -23.304 -4.581 2.804 763 2HG ARG 64 2HG ARG 64 -22.510 -3.052 3.194 764 1HD ARG 64 1HD ARG 64 -24.592 -1.862 2.631 765 2HD ARG 64 2HD ARG 64 -25.375 -3.411 2.328 766 HE ARG 64 HE ARG 64 -24.195 -3.051 4.963 767 1HH1 ARG 64 1HH1 ARG 64 -27.075 -2.962 2.965 768 2HH1 ARG 64 2HH1 ARG 64 -28.168 -3.055 4.320 769 1HH2 ARG 64 1HH2 ARG 64 -25.616 -3.129 6.737 770 2HH2 ARG 64 2HH2 ARG 64 -27.334 -3.126 6.475 771 H CYS 65 H CYS 65 -20.548 -2.254 -0.694 772 HA CYS 65 HA CYS 65 -21.248 -3.558 -3.238 773 1HB CYS 65 1HB CYS 65 -20.952 -0.632 -2.569 774 2HB CYS 65 2HB CYS 65 -21.060 -1.238 -4.217 775 HG CYS 65 HG CYS 65 -23.568 -2.561 -2.703 776 HA PRO 66 HA PRO 66 -16.692 -3.865 -3.173 777 1HB PRO 66 1HB PRO 66 -17.242 -5.915 -5.213 778 2HB PRO 66 2HB PRO 66 -16.335 -6.050 -3.704 779 1HG PRO 66 1HG PRO 66 -18.746 -7.193 -4.005 780 2HG PRO 66 2HG PRO 66 -18.220 -6.513 -2.454 781 1HD PRO 66 1HD PRO 66 -20.066 -5.350 -4.506 782 2HD PRO 66 2HD PRO 66 -20.200 -5.337 -2.734 783 H PHE 67 H PHE 67 -18.793 -4.066 -6.047 784 HA PHE 67 HA PHE 67 -16.846 -3.189 -7.890 785 1HB PHE 67 1HB PHE 67 -19.008 -4.345 -8.466 786 2HB PHE 67 2HB PHE 67 -19.829 -2.818 -8.160 787 HD1 PHE 67 HD1 PHE 67 -16.819 -3.975 -10.034 788 HD2 PHE 67 HD2 PHE 67 -20.352 -1.602 -10.034 789 HE1 PHE 67 HE1 PHE 67 -16.341 -3.275 -12.341 790 HE2 PHE 67 HE2 PHE 67 -19.878 -0.900 -12.346 791 HZ PHE 67 HZ PHE 67 -17.873 -1.735 -13.499 792 H CYS 68 H CYS 68 -19.405 -1.475 -6.156 793 HA CYS 68 HA CYS 68 -18.995 1.051 -7.283 794 1HB CYS 68 1HB CYS 68 -19.984 0.434 -4.494 795 2HB CYS 68 2HB CYS 68 -20.266 1.915 -5.402 796 HG CYS 68 HG CYS 68 -22.366 -0.342 -5.138 797 H ARG 69 H ARG 69 -17.457 -0.571 -4.555 798 HA ARG 69 HA ARG 69 -16.009 1.748 -3.711 799 1HB ARG 69 1HB ARG 69 -16.549 -0.125 -2.179 800 2HB ARG 69 2HB ARG 69 -15.453 -1.158 -3.092 801 1HG ARG 69 1HG ARG 69 -13.587 0.301 -2.511 802 2HG ARG 69 2HG ARG 69 -14.683 1.345 -1.604 803 1HD ARG 69 1HD ARG 69 -15.206 -0.504 -0.103 804 2HD ARG 69 2HD ARG 69 -14.133 -1.560 -1.020 805 HE ARG 69 HE ARG 69 -12.883 0.829 0.011 806 1HH1 ARG 69 1HH1 ARG 69 -13.692 -2.508 0.598 807 2HH1 ARG 69 2HH1 ARG 69 -12.430 -2.753 1.767 808 1HH2 ARG 69 1HH2 ARG 69 -11.219 0.538 1.565 809 2HH2 ARG 69 2HH2 ARG 69 -11.028 -1.010 2.329 810 H PHE 70 H PHE 70 -15.311 -1.050 -5.748 811 HA PHE 70 HA PHE 70 -12.616 -0.551 -6.288 812 1HB PHE 70 1HB PHE 70 -13.711 -2.604 -6.997 813 2HB PHE 70 2HB PHE 70 -14.786 -1.706 -8.061 814 HD1 PHE 70 HD1 PHE 70 -11.220 -2.571 -7.512 815 HD2 PHE 70 HD2 PHE 70 -14.198 -1.303 -10.274 816 HE1 PHE 70 HE1 PHE 70 -9.629 -2.877 -9.363 817 HE2 PHE 70 HE2 PHE 70 -12.612 -1.606 -12.130 818 HZ PHE 70 HZ PHE 70 -10.324 -2.395 -11.676 819 H GLN 71 H GLN 71 -15.492 0.475 -8.120 820 HA GLN 71 HA GLN 71 -14.192 2.188 -9.905 821 1HB GLN 71 1HB GLN 71 -17.001 2.343 -8.792 822 2HB GLN 71 2HB GLN 71 -16.419 3.286 -10.157 823 1HG GLN 71 1HG GLN 71 -16.537 0.278 -10.047 824 2HG GLN 71 2HG GLN 71 -17.718 1.318 -10.842 825 1HE2 GLN 71 1HE2 GLN 71 -15.696 3.178 -11.810 826 2HE2 GLN 71 2HE2 GLN 71 -14.880 2.383 -13.114 827 H LYS 72 H LYS 72 -15.315 2.687 -6.621 828 HA LYS 72 HA LYS 72 -14.990 5.490 -6.522 829 1HB LYS 72 1HB LYS 72 -16.269 4.132 -4.863 830 2HB LYS 72 2HB LYS 72 -14.743 3.522 -4.241 831 1HG LYS 72 1HG LYS 72 -15.084 5.195 -2.759 832 2HG LYS 72 2HG LYS 72 -14.228 6.105 -4.001 833 1HD LYS 72 1HD LYS 72 -17.230 5.953 -3.710 834 2HD LYS 72 2HD LYS 72 -16.223 7.279 -3.145 835 1HE LYS 72 1HE LYS 72 -16.942 8.115 -5.146 836 2HE LYS 72 2HE LYS 72 -15.435 7.349 -5.639 837 1HZ LYS 72 1HZ LYS 72 -16.679 5.444 -6.410 838 2HZ LYS 72 2HZ LYS 72 -17.277 6.842 -7.151 839 3HZ LYS 72 3HZ LYS 72 -18.134 6.122 -5.877 840 H CYS 73 H CYS 73 -12.778 2.802 -5.892 841 HA CYS 73 HA CYS 73 -10.606 4.283 -4.919 842 1HB CYS 73 1HB CYS 73 -10.566 1.766 -6.606 843 2HB CYS 73 2HB CYS 73 -9.212 2.391 -5.670 844 HG CYS 73 HG CYS 73 -12.174 1.295 -4.347 845 H LEU 74 H LEU 74 -11.358 3.242 -8.269 846 HA LEU 74 HA LEU 74 -9.325 4.700 -9.533 847 1HB LEU 74 1HB LEU 74 -12.016 3.747 -10.463 848 2HB LEU 74 2HB LEU 74 -10.975 4.676 -11.513 849 HG LEU 74 HG LEU 74 -9.206 2.894 -11.100 850 1HD1 LEU 74 1HD1 LEU 74 -10.156 1.834 -9.176 851 2HD1 LEU 74 2HD1 LEU 74 -10.101 0.680 -10.510 852 3HD1 LEU 74 3HD1 LEU 74 -11.625 1.451 -10.069 853 1HD2 LEU 74 1HD2 LEU 74 -10.163 1.422 -12.802 854 2HD2 LEU 74 2HD2 LEU 74 -10.414 3.123 -13.199 855 3HD2 LEU 74 3HD2 LEU 74 -11.742 2.163 -12.547 856 H THR 75 H THR 75 -12.580 5.620 -8.581 857 HA THR 75 HA THR 75 -12.880 8.088 -9.766 858 HB THR 75 HB THR 75 -13.723 7.192 -7.006 859 HG1 THR 75 HG1 THR 75 -14.532 6.184 -9.094 860 1HG2 THR 75 1HG2 THR 75 -15.331 9.005 -7.003 861 2HG2 THR 75 2HG2 THR 75 -14.739 9.567 -8.568 862 3HG2 THR 75 3HG2 THR 75 -13.694 9.649 -7.149 863 H VAL 76 H VAL 76 -11.322 7.392 -6.637 864 HA VAL 76 HA VAL 76 -10.882 10.172 -6.128 865 HB VAL 76 HB VAL 76 -9.792 9.471 -4.080 866 1HG1 VAL 76 1HG1 VAL 76 -11.664 8.238 -3.076 867 2HG1 VAL 76 2HG1 VAL 76 -12.279 7.879 -4.689 868 3HG1 VAL 76 3HG1 VAL 76 -12.216 9.547 -4.121 869 1HG2 VAL 76 1HG2 VAL 76 -10.063 6.659 -5.139 870 2HG2 VAL 76 2HG2 VAL 76 -9.525 7.103 -3.519 871 3HG2 VAL 76 3HG2 VAL 76 -8.554 7.546 -4.924 872 H GLY 77 H GLY 77 -8.963 7.588 -7.497 873 1HA GLY 77 1HA GLY 77 -7.215 8.744 -8.990 874 2HA GLY 77 2HA GLY 77 -6.620 9.377 -7.465 875 H MET 78 H MET 78 -7.811 6.247 -7.053 876 HA MET 78 HA MET 78 -5.132 5.171 -6.921 877 1HB MET 78 1HB MET 78 -7.797 3.806 -6.477 878 2HB MET 78 2HB MET 78 -6.219 3.122 -6.108 879 1HG MET 78 1HG MET 78 -5.842 4.965 -4.503 880 2HG MET 78 2HG MET 78 -7.481 5.530 -4.820 881 1HE MET 78 1HE MET 78 -6.218 1.826 -4.609 882 2HE MET 78 2HE MET 78 -6.472 1.467 -2.900 883 3HE MET 78 3HE MET 78 -5.263 2.660 -3.383 884 H ARG 79 H ARG 79 -4.152 4.514 -8.691 885 HA ARG 79 HA ARG 79 -5.735 4.145 -11.102 886 1HB ARG 79 1HB ARG 79 -2.726 4.163 -10.905 887 2HB ARG 79 2HB ARG 79 -3.722 4.513 -12.311 888 1HG ARG 79 1HG ARG 79 -3.526 6.214 -9.834 889 2HG ARG 79 2HG ARG 79 -2.722 6.531 -11.370 890 1HD ARG 79 1HD ARG 79 -4.840 6.830 -12.472 891 2HD ARG 79 2HD ARG 79 -5.710 6.340 -11.018 892 HE ARG 79 HE ARG 79 -4.145 8.498 -10.294 893 1HH1 ARG 79 1HH1 ARG 79 -6.741 7.884 -12.548 894 2HH1 ARG 79 2HH1 ARG 79 -7.364 9.502 -12.476 895 1HH2 ARG 79 1HH2 ARG 79 -4.961 10.632 -10.180 896 2HH2 ARG 79 2HH2 ARG 79 -6.369 11.060 -11.123 897 H LEU 80 H LEU 80 -5.638 2.364 -12.434 898 HA LEU 80 HA LEU 80 -5.169 -0.181 -11.219 899 1HB LEU 80 1HB LEU 80 -5.644 0.540 -14.116 900 2HB LEU 80 2HB LEU 80 -5.719 -1.077 -13.446 901 HG LEU 80 HG LEU 80 -7.554 1.161 -12.599 902 1HD1 LEU 80 1HD1 LEU 80 -7.855 0.656 -14.968 903 2HD1 LEU 80 2HD1 LEU 80 -9.233 0.106 -14.013 904 3HD1 LEU 80 3HD1 LEU 80 -8.035 -1.056 -14.583 905 1HD2 LEU 80 1HD2 LEU 80 -7.276 -0.637 -10.966 906 2HD2 LEU 80 2HD2 LEU 80 -7.681 -1.827 -12.203 907 3HD2 LEU 80 3HD2 LEU 80 -8.891 -0.659 -11.673 908 H GLU 81 H GLU 81 -3.495 1.872 -13.523 909 HA GLU 81 HA GLU 81 -1.405 -0.030 -14.042 910 1HB GLU 81 1HB GLU 81 -0.306 1.813 -15.235 911 2HB GLU 81 2HB GLU 81 -1.982 1.624 -15.726 912 1HG GLU 81 1HG GLU 81 -2.637 3.520 -14.408 913 2HG GLU 81 2HG GLU 81 -1.009 3.665 -13.743 914 H ALA 82 H ALA 82 -2.120 1.600 -11.335 915 HA ALA 82 HA ALA 82 0.673 2.028 -10.542 916 1HB ALA 82 1HB ALA 82 -0.877 3.857 -10.043 917 2HB ALA 82 2HB ALA 82 -0.246 3.136 -8.562 918 3HB ALA 82 3HB ALA 82 -1.881 2.754 -9.101 919 H VAL 83 H VAL 83 -1.367 -0.429 -10.775 920 HA VAL 83 HA VAL 83 -0.947 -1.585 -8.145 921 HB VAL 83 HB VAL 83 -2.339 -2.728 -10.571 922 1HG1 VAL 83 1HG1 VAL 83 -1.415 -4.495 -9.185 923 2HG1 VAL 83 2HG1 VAL 83 -3.171 -4.447 -9.025 924 3HG1 VAL 83 3HG1 VAL 83 -2.151 -3.780 -7.750 925 1HG2 VAL 83 1HG2 VAL 83 -3.445 -1.575 -8.015 926 2HG2 VAL 83 2HG2 VAL 83 -4.392 -2.351 -9.286 927 3HG2 VAL 83 3HG2 VAL 83 -3.537 -0.843 -9.617 928 H ARG 84 H ARG 84 0.966 -2.426 -7.765 929 HA ARG 84 HA ARG 84 2.420 -3.873 -9.799 930 1HB ARG 84 1HB ARG 84 3.762 -2.659 -8.252 931 2HB ARG 84 2HB ARG 84 2.896 -3.319 -6.873 932 1HG ARG 84 1HG ARG 84 3.954 -5.390 -7.050 933 2HG ARG 84 2HG ARG 84 4.489 -5.075 -8.703 934 1HD ARG 84 1HD ARG 84 5.411 -3.427 -6.367 935 2HD ARG 84 2HD ARG 84 6.245 -4.900 -6.873 936 HE ARG 84 HE ARG 84 5.916 -3.289 -9.129 937 1HH1 ARG 84 1HH1 ARG 84 7.578 -3.103 -6.045 938 2HH1 ARG 84 2HH1 ARG 84 8.955 -2.267 -6.697 939 1HH2 ARG 84 1HH2 ARG 84 7.697 -2.166 -9.980 940 2HH2 ARG 84 2HH2 ARG 84 9.004 -1.703 -8.937 941 H ALA 85 H ALA 85 0.906 -5.469 -10.337 942 HA ALA 85 HA ALA 85 -0.029 -7.294 -8.291 943 1HB ALA 85 1HB ALA 85 -1.241 -8.385 -10.077 944 2HB ALA 85 2HB ALA 85 -0.400 -7.401 -11.274 945 3HB ALA 85 3HB ALA 85 -1.501 -6.642 -10.124 946 H ASP 86 H ASP 86 2.834 -7.014 -9.852 947 HA ASP 86 HA ASP 86 3.255 -9.795 -10.516 948 1HB ASP 86 1HB ASP 86 4.404 -8.124 -11.851 949 2HB ASP 86 2HB ASP 86 5.148 -7.433 -10.414 950 H ARG 87 H ARG 87 5.153 -7.637 -8.476 951 HA ARG 87 HA ARG 87 4.671 -8.798 -6.014 952 1HB ARG 87 1HB ARG 87 6.428 -10.386 -7.638 953 2HB ARG 87 2HB ARG 87 7.364 -9.689 -6.326 954 1HG ARG 87 1HG ARG 87 4.847 -11.305 -5.989 955 2HG ARG 87 2HG ARG 87 6.490 -11.919 -5.800 956 1HD ARG 87 1HD ARG 87 5.181 -9.751 -4.155 957 2HD ARG 87 2HD ARG 87 5.508 -11.405 -3.638 958 HE ARG 87 HE ARG 87 7.818 -9.858 -4.471 959 1HH1 ARG 87 1HH1 ARG 87 5.832 -10.980 -1.812 960 2HH1 ARG 87 2HH1 ARG 87 7.064 -10.698 -0.612 961 1HH2 ARG 87 1HH2 ARG 87 9.426 -9.464 -2.871 962 2HH2 ARG 87 2HH2 ARG 87 9.079 -9.839 -1.214 963 H MET 88 H MET 88 5.626 -7.505 -4.450 964 HA MET 88 HA MET 88 7.055 -5.191 -5.224 965 1HB MET 88 1HB MET 88 5.670 -5.393 -3.144 966 2HB MET 88 2HB MET 88 6.941 -6.395 -2.458 967 1HG MET 88 1HG MET 88 7.043 -4.046 -1.721 968 2HG MET 88 2HG MET 88 8.506 -4.583 -2.549 969 1HE MET 88 1HE MET 88 8.102 -0.758 -3.498 970 2HE MET 88 2HE MET 88 9.128 -1.950 -2.699 971 3HE MET 88 3HE MET 88 7.580 -1.500 -1.986 972 H ARG 89 H ARG 89 8.872 -5.687 -6.334 973 HA ARG 89 HA ARG 89 11.094 -6.802 -4.842 974 1HB ARG 89 1HB ARG 89 10.128 -7.963 -7.460 975 2HB ARG 89 2HB ARG 89 11.690 -8.320 -6.740 976 1HG ARG 89 1HG ARG 89 10.572 -9.302 -4.795 977 2HG ARG 89 2HG ARG 89 8.995 -8.941 -5.510 978 1HD ARG 89 1HD ARG 89 11.115 -10.721 -6.730 979 2HD ARG 89 2HD ARG 89 9.685 -11.281 -5.865 980 HE ARG 89 HE ARG 89 9.080 -9.549 -8.083 981 1HH1 ARG 89 1HH1 ARG 89 9.814 -12.858 -7.171 982 2HH1 ARG 89 2HH1 ARG 89 8.917 -13.550 -8.492 983 1HH2 ARG 89 1HH2 ARG 89 7.867 -10.466 -9.803 984 2HH2 ARG 89 2HH2 ARG 89 7.816 -12.197 -9.980 985 H GLY 90 H GLY 90 9.973 -5.430 -7.922 986 1HA GLY 90 1HA GLY 90 12.677 -4.528 -8.533 987 2HA GLY 90 2HA GLY 90 11.296 -4.474 -9.613 988 H GLY 91 H GLY 91 12.557 -2.317 -9.853 989 1HA GLY 91 1HA GLY 91 12.135 -0.356 -7.789 990 2HA GLY 91 2HA GLY 91 12.839 -0.073 -9.373 991 H ARG 92 H ARG 92 10.994 1.646 -8.065 992 HA ARG 92 HA ARG 92 8.433 1.225 -9.385 993 1HB ARG 92 1HB ARG 92 9.433 3.409 -7.549 994 2HB ARG 92 2HB ARG 92 7.811 3.361 -8.228 995 1HG ARG 92 1HG ARG 92 7.254 1.417 -7.013 996 2HG ARG 92 2HG ARG 92 8.935 1.133 -6.561 997 1HD ARG 92 1HD ARG 92 7.604 2.055 -4.707 998 2HD ARG 92 2HD ARG 92 8.937 3.110 -5.173 999 HE ARG 92 HE ARG 92 6.895 4.122 -6.593 1000 1HH1 ARG 92 1HH1 ARG 92 7.178 3.212 -3.237 1001 2HH1 ARG 92 2HH1 ARG 92 6.100 4.443 -2.666 1002 1HH2 ARG 92 1HH2 ARG 92 5.454 5.754 -5.862 1003 2HH2 ARG 92 2HH2 ARG 92 5.109 5.886 -4.168 1004 H ASN 93 H ASN 93 9.007 1.410 -11.559 1005 HA ASN 93 HA ASN 93 10.316 3.832 -12.474 1006 1HB ASN 93 1HB ASN 93 10.854 1.668 -13.528 1007 2HB ASN 93 2HB ASN 93 9.182 1.517 -14.060 1008 1HD2 ASN 93 1HD2 ASN 93 11.068 4.483 -14.041 1009 2HD2 ASN 93 2HD2 ASN 93 11.107 4.690 -15.759 1010 H LYS 94 H LYS 94 7.155 2.268 -12.856 1011 HA LYS 94 HA LYS 94 6.057 4.068 -14.678 1012 1HB LYS 94 1HB LYS 94 4.594 2.486 -12.557 1013 2HB LYS 94 2HB LYS 94 3.879 3.181 -14.006 1014 1HG LYS 94 1HG LYS 94 5.297 1.721 -15.384 1015 2HG LYS 94 2HG LYS 94 5.957 1.003 -13.916 1016 1HD LYS 94 1HD LYS 94 4.312 -0.512 -14.524 1017 2HD LYS 94 2HD LYS 94 3.483 0.496 -13.339 1018 1HE LYS 94 1HE LYS 94 3.331 0.929 -16.318 1019 2HE LYS 94 2HE LYS 94 2.165 -0.026 -15.407 1020 1HZ LYS 94 1HZ LYS 94 1.572 1.919 -14.143 1021 2HZ LYS 94 2HZ LYS 94 1.422 2.257 -15.800 1022 3HZ LYS 94 3HZ LYS 94 2.748 2.852 -14.934 1023 H PHE 95 H PHE 95 5.244 3.935 -11.201 1024 HA PHE 95 HA PHE 95 4.530 6.764 -11.362 1025 1HB PHE 95 1HB PHE 95 3.849 4.592 -9.395 1026 2HB PHE 95 2HB PHE 95 3.610 6.294 -8.998 1027 HD1 PHE 95 HD1 PHE 95 1.550 7.192 -9.404 1028 HD2 PHE 95 HD2 PHE 95 2.860 3.920 -11.788 1029 HE1 PHE 95 HE1 PHE 95 -0.611 7.188 -10.580 1030 HE2 PHE 95 HE2 PHE 95 0.704 3.909 -12.967 1031 HZ PHE 95 HZ PHE 95 -1.036 5.544 -12.364 1032 H GLY 96 H GLY 96 7.146 6.468 -11.571 1033 1HA GLY 96 1HA GLY 96 8.309 7.041 -8.948 1034 2HA GLY 96 2HA GLY 96 9.191 6.860 -10.458 1035 HA PRO 97 HA PRO 97 9.573 11.156 -11.168 1036 1HB PRO 97 1HB PRO 97 8.091 10.918 -13.733 1037 2HB PRO 97 2HB PRO 97 9.718 11.535 -13.422 1038 1HG PRO 97 1HG PRO 97 9.378 9.153 -14.540 1039 2HG PRO 97 2HG PRO 97 10.647 9.408 -13.327 1040 1HD PRO 97 1HD PRO 97 7.971 8.097 -13.027 1041 2HD PRO 97 2HD PRO 97 9.542 7.622 -12.347 1042 H MET 98 H MET 98 6.373 10.323 -12.566 1043 HA MET 98 HA MET 98 5.191 12.802 -12.057 1044 1HB MET 98 1HB MET 98 3.021 11.656 -12.282 1045 2HB MET 98 2HB MET 98 4.144 11.190 -13.550 1046 1HG MET 98 1HG MET 98 4.535 9.082 -12.528 1047 2HG MET 98 2HG MET 98 3.680 9.576 -11.069 1048 1HE MET 98 1HE MET 98 1.109 9.699 -10.806 1049 2HE MET 98 2HE MET 98 -0.021 9.654 -12.160 1050 3HE MET 98 3HE MET 98 1.123 10.987 -12.011 1051 H TYR 99 H TYR 99 5.704 10.077 -9.959 1052 HA TYR 99 HA TYR 99 3.779 10.838 -7.997 1053 1HB TYR 99 1HB TYR 99 4.543 8.506 -8.264 1054 2HB TYR 99 2HB TYR 99 6.155 8.984 -7.738 1055 HD1 TYR 99 HD1 TYR 99 2.631 8.726 -6.656 1056 HD2 TYR 99 HD2 TYR 99 6.685 9.135 -5.440 1057 HE1 TYR 99 HE1 TYR 99 1.957 8.364 -4.325 1058 HE2 TYR 99 HE2 TYR 99 6.028 8.774 -3.100 1059 HH TYR 99 HH TYR 99 2.824 7.764 -2.223 1060 H LYS 100 H LYS 100 7.340 11.030 -8.158 1061 HA LYS 100 HA LYS 100 7.680 12.246 -5.656 1062 1HB LYS 100 1HB LYS 100 9.900 12.892 -6.406 1063 2HB LYS 100 2HB LYS 100 9.547 11.245 -6.906 1064 1HG LYS 100 1HG LYS 100 9.092 12.011 -9.165 1065 2HG LYS 100 2HG LYS 100 9.373 13.681 -8.668 1066 1HD LYS 100 1HD LYS 100 11.345 12.855 -9.769 1067 2HD LYS 100 2HD LYS 100 11.694 13.049 -8.050 1068 1HE LYS 100 1HE LYS 100 11.357 10.659 -7.705 1069 2HE LYS 100 2HE LYS 100 10.975 10.458 -9.415 1070 1HZ LYS 100 1HZ LYS 100 13.280 9.858 -8.830 1071 2HZ LYS 100 2HZ LYS 100 13.575 11.473 -8.394 1072 3HZ LYS 100 3HZ LYS 100 13.191 11.084 -10.001 1073 H ARG 101 H ARG 101 7.128 13.636 -8.856 1074 HA ARG 101 HA ARG 101 7.531 16.325 -8.099 1075 1HB ARG 101 1HB ARG 101 5.869 15.170 -10.340 1076 2HB ARG 101 2HB ARG 101 6.244 16.877 -10.158 1077 1HG ARG 101 1HG ARG 101 8.643 16.334 -10.353 1078 2HG ARG 101 2HG ARG 101 8.204 14.647 -10.643 1079 1HD ARG 101 1HD ARG 101 6.865 15.369 -12.587 1080 2HD ARG 101 2HD ARG 101 7.416 17.024 -12.320 1081 HE ARG 101 HE ARG 101 9.704 15.502 -12.516 1082 1HH1 ARG 101 1HH1 ARG 101 6.956 16.262 -14.571 1083 2HH1 ARG 101 2HH1 ARG 101 7.839 15.989 -16.045 1084 1HH2 ARG 101 1HH2 ARG 101 10.846 15.165 -14.453 1085 2HH2 ARG 101 2HH2 ARG 101 10.046 15.377 -15.983 1086 H ASP 102 H ASP 102 4.499 14.493 -8.600 1087 HA ASP 102 HA ASP 102 2.788 16.595 -7.902 1088 1HB ASP 102 1HB ASP 102 1.994 14.591 -9.070 1089 2HB ASP 102 2HB ASP 102 2.290 13.625 -7.628 1090 H ARG 103 H ARG 103 4.196 14.029 -5.915 1091 HA ARG 103 HA ARG 103 2.827 14.678 -3.539 1092 1HB ARG 103 1HB ARG 103 4.046 12.546 -3.949 1093 2HB ARG 103 2HB ARG 103 5.564 13.423 -3.806 1094 1HG ARG 103 1HG ARG 103 4.991 14.017 -1.498 1095 2HG ARG 103 2HG ARG 103 3.490 13.103 -1.646 1096 1HD ARG 103 1HD ARG 103 5.124 11.743 -0.526 1097 2HD ARG 103 2HD ARG 103 4.827 11.074 -2.132 1098 HE ARG 103 HE ARG 103 6.992 12.771 -2.410 1099 1HH1 ARG 103 1HH1 ARG 103 6.233 9.885 -0.575 1100 2HH1 ARG 103 2HH1 ARG 103 7.891 9.364 -0.465 1101 1HH2 ARG 103 1HH2 ARG 103 9.183 12.065 -2.274 1102 2HH2 ARG 103 2HH2 ARG 103 9.546 10.587 -1.434 1103 H ALA 104 H ALA 104 5.887 15.817 -4.904 1104 HA ALA 104 HA ALA 104 6.627 17.384 -2.643 1105 1HB ALA 104 1HB ALA 104 8.263 16.633 -4.303 1106 2HB ALA 104 2HB ALA 104 8.290 18.386 -4.112 1107 3HB ALA 104 3HB ALA 104 7.503 17.664 -5.515 1108 H LEU 105 H LEU 105 4.862 18.047 -5.619 1109 HA LEU 105 HA LEU 105 4.636 20.854 -5.152 1110 1HB LEU 105 1HB LEU 105 2.982 19.070 -6.939 1111 2HB LEU 105 2HB LEU 105 3.051 20.822 -7.010 1112 HG LEU 105 HG LEU 105 5.337 18.942 -7.602 1113 1HD1 LEU 105 1HD1 LEU 105 3.724 20.699 -9.442 1114 2HD1 LEU 105 2HD1 LEU 105 3.592 18.945 -9.318 1115 3HD1 LEU 105 3HD1 LEU 105 5.090 19.676 -9.898 1116 1HD2 LEU 105 1HD2 LEU 105 6.546 20.938 -8.298 1117 2HD2 LEU 105 2HD2 LEU 105 6.095 21.031 -6.593 1118 3HD2 LEU 105 3HD2 LEU 105 5.187 21.946 -7.798 1119 H LYS 106 H LYS 106 2.906 18.071 -4.116 1120 HA LYS 106 HA LYS 106 0.473 19.468 -3.472 1121 1HB LYS 106 1HB LYS 106 0.779 16.959 -4.052 1122 2HB LYS 106 2HB LYS 106 1.221 16.787 -2.358 1123 1HG LYS 106 1HG LYS 106 -0.930 17.717 -1.694 1124 2HG LYS 106 2HG LYS 106 -1.374 17.904 -3.392 1125 1HD LYS 106 1HD LYS 106 -1.057 15.438 -3.652 1126 2HD LYS 106 2HD LYS 106 -0.861 15.339 -1.902 1127 1HE LYS 106 1HE LYS 106 -3.290 16.287 -3.414 1128 2HE LYS 106 2HE LYS 106 -3.140 14.808 -2.466 1129 1HZ LYS 106 1HZ LYS 106 -2.790 16.215 -0.486 1130 2HZ LYS 106 2HZ LYS 106 -4.310 16.450 -1.197 1131 3HZ LYS 106 3HZ LYS 106 -3.082 17.594 -1.430 1132 H GLN 107 H GLN 107 3.411 18.537 -1.805 1133 HA GLN 107 HA GLN 107 2.357 19.413 0.759 1134 1HB GLN 107 1HB GLN 107 4.552 18.812 1.665 1135 2HB GLN 107 2HB GLN 107 3.864 17.491 0.733 1136 1HG GLN 107 1HG GLN 107 5.294 18.140 -1.172 1137 2HG GLN 107 2HG GLN 107 6.031 19.378 -0.154 1138 1HE2 GLN 107 1HE2 GLN 107 7.239 17.061 -1.453 1139 2HE2 GLN 107 2HE2 GLN 107 7.976 16.140 -0.193 1140 H GLN 108 H GLN 108 3.637 20.831 -1.930 1141 HA GLN 108 HA GLN 108 5.126 22.973 -0.788 1142 1HB GLN 108 1HB GLN 108 5.299 22.256 -3.163 1143 2HB GLN 108 2HB GLN 108 3.656 22.815 -3.432 1144 1HG GLN 108 1HG GLN 108 4.394 25.105 -2.838 1145 2HG GLN 108 2HG GLN 108 6.047 24.500 -2.729 1146 1HE2 GLN 108 1HE2 GLN 108 3.715 23.375 -5.076 1147 2HE2 GLN 108 2HE2 GLN 108 4.489 24.056 -6.469 1148 H LYS 109 H LYS 109 4.431 25.097 -0.342 1149 HA LYS 109 HA LYS 109 1.934 25.424 0.830 1150 1HB LYS 109 1HB LYS 109 3.864 27.469 -0.258 1151 2HB LYS 109 2HB LYS 109 2.414 27.906 0.633 1152 1HG LYS 109 1HG LYS 109 4.465 26.049 1.792 1153 2HG LYS 109 2HG LYS 109 4.631 27.800 1.902 1154 1HD LYS 109 1HD LYS 109 3.600 27.113 3.916 1155 2HD LYS 109 2HD LYS 109 2.322 27.829 2.937 1156 1HE LYS 109 1HE LYS 109 1.635 25.559 2.239 1157 2HE LYS 109 2HE LYS 109 2.873 24.884 3.299 1158 1HZ LYS 109 1HZ LYS 109 1.761 25.907 5.188 1159 2HZ LYS 109 2HZ LYS 109 0.704 24.876 4.358 1160 3HZ LYS 109 3HZ LYS 109 0.569 26.552 4.166 1161 H LYS 110 H LYS 110 2.881 27.228 -2.104 1162 HA LYS 110 HA LYS 110 0.204 26.661 -3.188 1163 1HB LYS 110 1HB LYS 110 1.692 29.289 -3.220 1164 2HB LYS 110 2HB LYS 110 0.295 28.952 -4.232 1165 1HG LYS 110 1HG LYS 110 0.321 28.924 -1.218 1166 2HG LYS 110 2HG LYS 110 -0.299 30.228 -2.232 1167 1HD LYS 110 1HD LYS 110 -1.946 28.672 -3.194 1168 2HD LYS 110 2HD LYS 110 -1.339 27.396 -2.136 1169 1HE LYS 110 1HE LYS 110 -3.364 28.391 -1.218 1170 2HE LYS 110 2HE LYS 110 -1.979 28.716 -0.177 1171 1HZ LYS 110 1HZ LYS 110 -3.046 30.632 -2.180 1172 2HZ LYS 110 2HZ LYS 110 -1.841 30.933 -1.022 1173 3HZ LYS 110 3HZ LYS 110 -3.440 30.661 -0.531 1174 H ALA 111 H ALA 111 0.065 26.501 -5.458 1175 HA ALA 111 HA ALA 111 2.674 26.169 -6.780 1176 1HB ALA 111 1HB ALA 111 1.730 24.322 -8.061 1177 2HB ALA 111 2HB ALA 111 0.191 24.512 -7.221 1178 3HB ALA 111 3HB ALA 111 1.625 24.000 -6.329 Start of MODEL 13 1 1H5* G 1 1H5* G 1 29.216 3.827 0.029 2 2H5* G 1 2H5* G 1 28.294 2.358 0.392 3 H4* G 1 H4* G 1 27.987 4.586 1.753 4 H3* G 1 H3* G 1 26.526 2.277 1.679 5 H1* G 1 H1* G 1 24.993 5.769 1.303 6 H8 G 1 H8 G 1 25.271 4.112 -2.201 7 H1 G 1 H1 G 1 21.028 8.903 -1.645 8 1H2 G 1 1H2 G 1 20.999 9.640 0.440 9 2H2 G 1 2H2 G 1 22.022 8.955 1.684 10 H5T G 1 H5T G 1 27.196 4.201 -1.405 11 1H2* G 1 1H2* G 1 24.894 2.967 0.075 12 2H2* G 1 2H2* G 1 24.124 3.525 1.553 13 1H5* G 2 1H5* G 2 25.149 6.359 4.632 14 2H5* G 2 2H5* G 2 24.987 5.158 5.931 15 H4* G 2 H4* G 2 23.619 7.125 6.340 16 H3* G 2 H3* G 2 22.748 4.631 6.812 17 H1* G 2 H1* G 2 20.499 7.029 4.626 18 H8 G 2 H8 G 2 22.492 4.295 2.752 19 H1 G 2 H1 G 2 18.291 7.623 -0.780 20 1H2 G 2 1H2 G 2 17.367 9.209 0.436 21 2H2 G 2 2H2 G 2 17.778 9.454 2.119 22 1H2* G 2 1H2* G 2 21.558 4.195 4.801 23 2H2* G 2 2H2* G 2 20.270 4.957 5.722 24 1H5* C 3 1H5* C 3 20.203 7.879 5.866 25 2H5* C 3 2H5* C 3 19.841 8.507 7.486 26 H4* C 3 H4* C 3 18.321 9.652 6.249 27 H3* C 3 H3* C 3 17.101 7.918 7.877 28 H1* C 3 H1* C 3 16.106 7.916 4.086 29 1H4 C 3 1H4 C 3 17.842 3.005 0.496 30 2H4 C 3 2H4 C 3 18.881 2.363 1.749 31 H5 C 3 H5 C 3 19.164 3.438 3.902 32 H6 C 3 H6 C 3 18.522 5.348 5.277 33 1H2* C 3 1H2* C 3 16.850 6.068 6.381 34 2H2* C 3 2H2* C 3 15.334 6.909 6.087 35 1H5* T 4 1H5* T 4 14.609 10.251 5.348 36 2H5* T 4 2H5* T 4 13.480 11.483 5.950 37 H4* T 4 H4* T 4 12.233 10.806 4.232 38 H3* T 4 H3* T 4 11.360 9.412 6.519 39 1H2* T 4 1H2* T 4 11.810 7.227 5.756 40 2H2* T 4 2H2* T 4 10.352 7.483 4.807 41 H1* T 4 H1* T 4 11.571 8.220 2.870 42 H3 T 4 H3 T 4 13.228 4.542 0.967 43 1H5M T 4 1H5M T 4 14.521 4.036 6.039 44 2H5M T 4 2H5M T 4 15.364 3.146 4.749 45 3H5M T 4 3H5M T 4 15.996 4.713 5.306 46 H6 T 4 H6 T 4 13.736 6.448 5.312 47 1H5* C 5 1H5* C 5 10.485 8.600 2.320 48 2H5* C 5 2H5* C 5 9.536 10.090 2.495 49 H4* C 5 H4* C 5 8.845 9.550 0.434 50 H3* C 5 H3* C 5 6.829 9.023 2.072 51 H1* C 5 H1* C 5 8.081 5.976 -0.181 52 1H4 C 5 1H4 C 5 11.350 1.536 2.895 53 2H4 C 5 2H4 C 5 11.413 2.486 4.363 54 H5 C 5 H5 C 5 10.450 4.714 4.530 55 H6 C 5 H6 C 5 9.240 6.455 3.324 56 1H2* C 5 1H2* C 5 7.244 6.741 2.609 57 2H2* C 5 2H2* C 5 6.258 6.507 1.172 58 1H5* A 6 1H5* A 6 6.683 6.914 -1.672 59 2H5* A 6 2H5* A 6 5.301 7.316 -2.711 60 H4* A 6 H4* A 6 5.628 5.141 -3.267 61 H3* A 6 H3* A 6 3.352 5.497 -1.701 62 H1* A 6 H1* A 6 5.792 2.529 -1.605 63 H8 A 6 H8 A 6 6.094 4.682 1.627 64 1H6 A 6 1H6 A 6 9.035 -0.243 3.960 65 2H6 A 6 2H6 A 6 8.483 1.386 4.280 66 H2 A 6 H2 A 6 7.811 -1.210 -0.249 67 1H2* A 6 1H2* A 6 4.050 4.280 0.200 68 2H2* A 6 2H2* A 6 3.559 2.914 -0.791 69 1H5* G 7 1H5* G 7 3.109 2.472 -5.509 70 2H5* G 7 2H5* G 7 1.418 1.961 -5.697 71 H4* G 7 H4* G 7 3.196 0.286 -6.345 72 H3* G 7 H3* G 7 0.722 -0.260 -5.534 73 H1* G 7 H1* G 7 3.670 -1.860 -3.525 74 H8 G 7 H8 G 7 2.536 1.541 -2.043 75 H1 G 7 H1 G 7 5.631 -2.414 1.955 76 1H2 G 7 1H2 G 7 6.124 -4.295 0.913 77 2H2 G 7 2H2 G 7 5.693 -4.577 -0.759 78 1H2* G 7 1H2* G 7 1.090 -0.294 -3.164 79 2H2* G 7 2H2* G 7 1.307 -1.997 -3.544 80 1H5* G 8 1H5* G 8 4.004 -3.327 -3.925 81 2H5* G 8 2H5* G 8 3.784 -3.914 -5.586 82 H4* G 8 H4* G 8 4.607 -5.815 -4.745 83 H3* G 8 H3* G 8 1.999 -6.203 -5.028 84 H1* G 8 H1* G 8 3.512 -6.900 -1.453 85 H8 G 8 H8 G 8 1.724 -3.520 -1.991 86 H1 G 8 H1 G 8 3.539 -4.726 4.044 87 1H2 G 8 1H2 G 8 4.623 -6.629 4.148 88 2H2 G 8 2H2 G 8 4.907 -7.623 2.736 89 1H2* G 8 1H2* G 8 1.246 -5.469 -2.877 90 2H2* G 8 2H2* G 8 1.447 -7.188 -2.565 91 1H5* G 9 1H5* G 9 4.288 -8.574 -2.356 92 2H5* G 9 2H5* G 9 4.777 -10.047 -3.220 93 H4* G 9 H4* G 9 5.315 -10.714 -1.145 94 H3* G 9 H3* G 9 3.091 -12.012 -1.874 95 H1* G 9 H1* G 9 3.202 -10.280 1.592 96 H8 G 9 H8 G 9 1.327 -8.165 -1.064 97 H1 G 9 H1 G 9 0.749 -6.223 5.030 98 1H2 G 9 1H2 G 9 1.932 -7.534 6.353 99 2H2 G 9 2H2 G 9 2.851 -8.891 5.740 100 1H2* G 9 1H2* G 9 1.477 -10.516 -0.914 101 2H2* G 9 2H2* G 9 1.669 -11.678 0.391 102 1H5* C 10 1H5* C 10 4.488 -11.368 2.975 103 2H5* C 10 2H5* C 10 4.833 -13.110 2.954 104 H4* C 10 H4* C 10 4.395 -12.499 5.193 105 H3* C 10 H3* C 10 3.048 -14.566 4.149 106 H1* C 10 H1* C 10 1.050 -11.774 6.024 107 1H4 C 10 1H4 C 10 -2.683 -7.925 2.657 108 2H4 C 10 2H4 C 10 -2.224 -8.693 1.151 109 H5 C 10 H5 C 10 -0.606 -10.491 1.032 110 H6 C 10 H6 C 10 0.905 -11.901 2.326 111 1H2* C 10 1H2* C 10 1.055 -13.436 3.475 112 2H2* C 10 2H2* C 10 0.595 -13.915 5.103 113 1H5* C 11 1H5* C 11 1.188 -11.777 7.385 114 2H5* C 11 2H5* C 11 2.433 -12.750 8.193 115 H4* C 11 H4* C 11 1.507 -11.926 10.044 116 H3* C 11 H3* C 11 0.629 -14.446 9.815 117 H1* C 11 H1* C 11 -2.223 -11.570 10.036 118 1H4 C 11 1H4 C 11 -4.847 -10.736 4.339 119 2H4 C 11 2H4 C 11 -3.950 -12.077 3.661 120 H5 C 11 H5 C 11 -2.307 -13.332 4.929 121 H6 C 11 H6 C 11 -1.210 -13.558 7.097 122 1H2* C 11 1H2* C 11 -1.519 -14.223 8.896 123 2H2* C 11 2H2* C 11 -1.980 -13.791 10.537 124 1H5* A 12 1H5* A 12 -1.468 -11.478 12.260 125 2H5* A 12 2H5* A 12 -1.213 -11.893 13.968 126 H4* A 12 H4* A 12 -3.127 -10.671 14.095 127 H3* A 12 H3* A 12 -3.543 -13.285 14.682 128 H1* A 12 H1* A 12 -5.966 -11.330 12.356 129 H8 A 12 H8 A 12 -3.921 -14.065 10.539 130 1H6 A 12 1H6 A 12 -7.131 -12.415 5.507 131 2H6 A 12 2H6 A 12 -5.960 -13.540 6.158 132 H2 A 12 H2 A 12 -8.241 -9.630 8.847 133 1H2* A 12 1H2* A 12 -4.504 -13.993 12.619 134 2H2* A 12 2H2* A 12 -5.959 -13.451 13.445 135 1H5* C 13 1H5* C 13 -6.664 -10.008 15.123 136 2H5* C 13 2H5* C 13 -7.867 -10.194 16.416 137 H4* C 13 H4* C 13 -8.681 -8.925 14.469 138 H3* C 13 H3* C 13 -10.120 -10.863 15.854 139 H1* C 13 H1* C 13 -10.138 -10.256 12.044 140 1H4 C 13 1H4 C 13 -8.908 -15.083 8.128 141 2H4 C 13 2H4 C 13 -8.019 -15.950 9.361 142 H5 C 13 H5 C 13 -7.741 -15.107 11.619 143 H6 C 13 H6 C 13 -8.269 -13.273 13.141 144 1H2* C 13 1H2* C 13 -10.253 -12.484 14.136 145 2H2* C 13 2H2* C 13 -11.557 -11.442 13.586 146 1H5* A 14 1H5* A 14 -11.962 -8.752 11.817 147 2H5* A 14 2H5* A 14 -12.603 -7.628 13.034 148 H4* A 14 H4* A 14 -14.055 -7.260 11.323 149 H3* A 14 H3* A 14 -15.332 -8.339 13.361 150 H1* A 14 H1* A 14 -15.596 -10.382 9.943 151 H8 A 14 H8 A 14 -13.052 -11.560 12.606 152 1H6 A 14 1H6 A 14 -11.771 -16.130 8.628 153 2H6 A 14 2H6 A 14 -11.447 -15.475 10.218 154 H2 A 14 H2 A 14 -14.714 -13.360 6.673 155 1H2* A 14 1H2* A 14 -15.044 -10.665 12.891 156 2H2* A 14 2H2* A 14 -16.572 -10.390 12.068 157 1H5* G 15 1H5* G 15 -17.725 -7.311 9.667 158 2H5* G 15 2H5* G 15 -19.261 -6.473 9.971 159 H4* G 15 H4* G 15 -19.560 -7.626 7.963 160 H3* G 15 H3* G 15 -21.313 -8.148 9.924 161 H1* G 15 H1* G 15 -19.668 -11.110 8.004 162 H8 G 15 H8 G 15 -18.244 -10.548 11.559 163 H1 G 15 H1 G 15 -16.122 -15.761 8.471 164 1H2 G 15 1H2 G 15 -16.948 -15.818 6.429 165 2H2 G 15 2H2 G 15 -18.021 -14.577 5.821 166 H3T G 15 H3T G 15 -22.532 -9.151 8.317 167 1H2* G 15 1H2* G 15 -20.320 -10.128 10.813 168 2H2* G 15 2H2* G 15 -21.399 -10.836 9.618 169 1H5* C 16 1H5* C 16 -17.255 -23.299 6.540 170 2H5* C 16 2H5* C 16 -15.538 -23.709 6.372 171 H4* C 16 H4* C 16 -16.853 -22.153 4.661 172 H3* C 16 H3* C 16 -14.292 -22.883 4.744 173 H1* C 16 H1* C 16 -15.110 -19.071 5.160 174 1H4 C 16 1H4 C 16 -14.646 -16.472 10.922 175 2H4 C 16 2H4 C 16 -13.817 -17.884 11.542 176 H5 C 16 H5 C 16 -13.451 -19.879 10.217 177 H6 C 16 H6 C 16 -13.807 -20.921 8.042 178 H5T C 16 H5T C 16 -15.432 -22.917 8.313 179 1H2* C 16 1H2* C 16 -13.486 -21.329 6.382 180 2H2* C 16 2H2* C 16 -13.180 -20.417 4.909 181 1H5* T 17 1H5* T 17 -15.485 -20.640 0.677 182 2H5* T 17 2H5* T 17 -14.257 -19.965 -0.412 183 H4* T 17 H4* T 17 -16.191 -18.488 0.516 184 H3* T 17 H3* T 17 -13.794 -17.807 -0.627 185 1H2* T 17 1H2* T 17 -12.573 -17.369 1.376 186 2H2* T 17 2H2* T 17 -13.308 -15.791 1.130 187 H1* T 17 H1* T 17 -15.142 -16.264 2.622 188 H3 T 17 H3 T 17 -13.275 -15.636 6.618 189 1H5M T 17 1H5M T 17 -10.709 -19.790 4.383 190 2H5M T 17 2H5M T 17 -11.559 -20.239 5.880 191 3H5M T 17 3H5M T 17 -10.220 -19.067 5.934 192 H6 T 17 H6 T 17 -12.611 -18.909 3.213 193 1H5* G 18 1H5* G 18 -15.967 -14.285 2.057 194 2H5* G 18 2H5* G 18 -16.618 -13.699 0.513 195 H4* G 18 H4* G 18 -16.512 -11.740 1.623 196 H3* G 18 H3* G 18 -14.645 -11.769 -0.290 197 H1* G 18 H1* G 18 -13.597 -10.737 3.321 198 H8 G 18 H8 G 18 -12.391 -14.251 2.264 199 H1 G 18 H1 G 18 -10.689 -12.349 8.153 200 1H2 G 18 1H2 G 18 -11.625 -10.406 8.621 201 2H2 G 18 2H2 G 18 -12.662 -9.575 7.482 202 1H2* G 18 1H2* G 18 -12.784 -12.541 1.006 203 2H2* G 18 2H2* G 18 -12.582 -10.802 1.170 204 1H5* T 19 1H5* T 19 -14.408 -9.703 3.842 205 2H5* T 19 2H5* T 19 -15.319 -8.453 2.971 206 H4* T 19 H4* T 19 -14.782 -7.359 4.903 207 H3* T 19 H3* T 19 -13.621 -6.231 2.793 208 1H2* T 19 1H2* T 19 -11.512 -7.351 2.798 209 2H2* T 19 2H2* T 19 -11.114 -5.980 3.825 210 H1* T 19 H1* T 19 -11.251 -7.231 5.811 211 H3 T 19 H3 T 19 -8.413 -10.662 6.124 212 1H5M T 19 1H5M T 19 -9.358 -12.223 1.937 213 2H5M T 19 2H5M T 19 -11.025 -11.654 1.680 214 3H5M T 19 3H5M T 19 -9.653 -10.675 1.108 215 H6 T 19 H6 T 19 -11.459 -9.249 2.739 216 1H5* G 20 1H5* G 20 -12.866 -4.588 6.697 217 2H5* G 20 2H5* G 20 -12.975 -2.867 7.119 218 H4* G 20 H4* G 20 -11.295 -3.667 8.481 219 H3* G 20 H3* G 20 -10.459 -1.862 6.483 220 H1* G 20 H1* G 20 -8.600 -4.847 8.018 221 H8 G 20 H8 G 20 -9.420 -5.495 4.272 222 H1 G 20 H1 G 20 -4.932 -9.264 6.899 223 1H2 G 20 1H2 G 20 -4.607 -8.689 9.005 224 2H2 G 20 2H2 G 20 -5.495 -7.385 9.762 225 1H2* G 20 1H2* G 20 -8.913 -3.288 5.403 226 2H2* G 20 2H2* G 20 -7.908 -2.896 6.792 227 1H5* G 21 1H5* G 21 -8.059 -3.197 10.044 228 2H5* G 21 2H5* G 21 -7.670 -1.760 11.012 229 H4* G 21 H4* G 21 -6.061 -3.329 11.590 230 H3* G 21 H3* G 21 -5.150 -1.005 10.417 231 H1* G 21 H1* G 21 -3.715 -4.519 9.777 232 H8 G 21 H8 G 21 -5.731 -3.244 6.708 233 H1 G 21 H1 G 21 -1.853 -8.258 5.677 234 1H2 G 21 1H2 G 21 -0.821 -8.814 7.550 235 2H2 G 21 2H2 G 21 -1.082 -7.947 9.049 236 1H2* G 21 1H2* G 21 -4.439 -1.918 8.341 237 2H2* G 21 2H2* G 21 -3.007 -2.271 9.296 238 1H5* C 22 1H5* C 22 -2.599 -4.722 11.612 239 2H5* C 22 2H5* C 22 -1.928 -3.928 13.051 240 H4* C 22 H4* C 22 -0.532 -5.748 12.670 241 H3* C 22 H3* C 22 0.701 -3.398 12.741 242 H1* C 22 H1* C 22 1.389 -5.678 9.637 243 1H4 C 22 1H4 C 22 -1.144 -4.151 4.048 244 2H4 C 22 2H4 C 22 -2.134 -2.897 4.759 245 H5 C 22 H5 C 22 -2.145 -2.415 7.129 246 H6 C 22 H6 C 22 -1.212 -3.039 9.295 247 1H2* C 22 1H2* C 22 0.594 -2.846 10.402 248 2H2* C 22 2H2* C 22 2.177 -3.606 10.489 249 1H5* C 23 1H5* C 23 2.942 -6.808 11.748 250 2H5* C 23 2H5* C 23 4.270 -7.502 12.701 251 H4* C 23 H4* C 23 4.972 -8.107 10.657 252 H3* C 23 H3* C 23 6.428 -5.906 11.532 253 H1* C 23 H1* C 23 5.258 -6.624 7.946 254 1H4 C 23 1H4 C 23 1.958 -2.247 4.763 255 2H4 C 23 2H4 C 23 1.514 -1.413 6.233 256 H5 C 23 H5 C 23 2.201 -2.162 8.426 257 H6 C 23 H6 C 23 3.459 -3.855 9.653 258 1H2* C 23 1H2* C 23 5.625 -4.333 9.945 259 2H2* C 23 2H2* C 23 6.848 -5.106 8.943 260 1H5* C 24 1H5* C 24 6.245 -7.440 7.045 261 2H5* C 24 2H5* C 24 7.280 -8.630 7.866 262 H4* C 24 H4* C 24 7.877 -9.133 5.760 263 H3* C 24 H3* C 24 9.875 -7.771 6.878 264 H1* C 24 H1* C 24 8.470 -6.378 3.428 265 1H4 C 24 1H4 C 24 4.974 -1.119 3.848 266 2H4 C 24 2H4 C 24 5.193 -1.037 5.581 267 H5 C 24 H5 C 24 6.414 -2.710 6.833 268 H6 C 24 H6 C 24 7.667 -4.796 6.679 269 1H2* C 24 1H2* C 24 9.379 -5.557 6.186 270 2H2* C 24 2H2* C 24 10.340 -6.058 4.803 271 1H5* T 25 1H5* T 25 10.027 -9.324 3.023 272 2H5* T 25 2H5* T 25 11.285 -10.124 2.057 273 H4* T 25 H4* T 25 9.953 -8.847 0.581 274 H3* T 25 H3* T 25 12.691 -8.353 0.720 275 1H2* T 25 1H2* T 25 12.600 -6.139 1.555 276 2H2* T 25 2H2* T 25 12.269 -5.770 -0.132 277 H1* T 25 H1* T 25 9.890 -5.764 0.188 278 H3 T 25 H3 T 25 8.898 -1.920 2.188 279 1H5M T 25 1H5M T 25 12.757 -3.706 5.154 280 2H5M T 25 2H5M T 25 11.424 -2.778 5.882 281 3H5M T 25 3H5M T 25 11.403 -4.556 5.936 282 H6 T 25 H6 T 25 11.658 -5.597 3.452 283 1H5* G 26 1H5* G 26 9.867 -6.527 -3.410 284 2H5* G 26 2H5* G 26 11.242 -7.028 -4.417 285 H4* G 26 H4* G 26 10.154 -5.062 -5.326 286 H3* G 26 H3* G 26 12.841 -5.285 -5.174 287 H1* G 26 H1* G 26 11.047 -2.066 -4.077 288 H8 G 26 H8 G 26 12.314 -4.093 -1.020 289 H1 G 26 H1 G 26 10.083 1.804 0.191 290 1H2 G 26 1H2 G 26 9.297 2.701 -1.663 291 2H2 G 26 2H2 G 26 9.331 1.857 -3.196 292 1H2* G 26 1H2* G 26 13.171 -4.056 -3.142 293 2H2* G 26 2H2* G 26 13.338 -2.770 -4.329 294 1H5* A 27 1H5* A 27 10.630 -1.156 -4.914 295 2H5* A 27 2H5* A 27 10.441 -1.837 -6.543 296 H4* A 27 H4* A 27 9.637 0.193 -7.007 297 H3* A 27 H3* A 27 12.071 0.102 -8.052 298 H1* A 27 H1* A 27 11.500 3.035 -5.317 299 H8 A 27 H8 A 27 13.165 -0.358 -4.437 300 1H6 A 27 1H6 A 27 14.312 2.227 1.073 301 2H6 A 27 2H6 A 27 14.525 0.800 0.084 302 H2 A 27 H2 A 27 11.984 5.167 -1.387 303 1H2* A 27 1H2* A 27 13.432 1.016 -6.356 304 2H2* A 27 2H2* A 27 12.919 2.540 -7.065 305 1H5* G 28 1H5* G 28 10.956 3.680 -6.665 306 2H5* G 28 2H5* G 28 10.237 4.714 -7.916 307 H4* G 28 H4* G 28 10.840 6.360 -6.549 308 H3* G 28 H3* G 28 12.772 6.179 -8.509 309 H1* G 28 H1* G 28 13.383 6.895 -4.825 310 H8 G 28 H8 G 28 14.963 3.488 -5.792 311 H1 G 28 H1 G 28 16.046 5.516 0.202 312 1H2 G 28 1H2 G 28 14.950 7.398 0.570 313 2H2 G 28 2H2 G 28 13.949 8.148 -0.653 314 1H2* G 28 1H2* G 28 14.493 5.233 -7.148 315 2H2* G 28 2H2* G 28 14.764 6.940 -6.827 316 1H5* C 29 1H5* C 29 12.117 9.101 -5.535 317 2H5* C 29 2H5* C 29 11.776 10.757 -6.080 318 H4* C 29 H4* C 29 12.216 10.966 -3.812 319 H3* C 29 H3* C 29 13.890 12.309 -5.501 320 H1* C 29 H1* C 29 15.157 10.380 -2.389 321 1H4 C 29 1H4 C 29 19.345 5.694 -3.177 322 2H4 C 29 2H4 C 29 18.905 5.491 -4.859 323 H5 C 29 H5 C 29 17.195 6.820 -5.941 324 H6 C 29 H6 C 29 15.595 8.634 -5.644 325 1H2* C 29 1H2* C 29 15.803 10.902 -5.328 326 2H2* C 29 2H2* C 29 16.094 11.945 -3.943 327 1H5* C 30 1H5* C 30 14.207 13.824 -0.980 328 2H5* C 30 2H5* C 30 14.757 15.510 -0.898 329 H4* C 30 H4* C 30 15.864 14.018 0.721 330 H3* C 30 H3* C 30 17.114 15.997 -0.757 331 H1* C 30 H1* C 30 18.553 12.538 0.062 332 1H4 C 30 1H4 C 30 20.469 8.600 -4.508 333 2H4 C 30 2H4 C 30 19.576 9.473 -5.733 334 H5 C 30 H5 C 30 18.259 11.444 -5.247 335 H6 C 30 H6 C 30 17.519 12.965 -3.492 336 H3T C 30 H3T C 30 18.409 14.508 1.256 337 1H2* C 30 1H2* C 30 18.375 14.595 -2.199 338 2H2* C 30 2H2* C 30 19.461 14.596 -0.816 339 1H ASP 10 1H ASP 10 -4.053 11.850 9.536 340 HA ASP 10 HA ASP 10 -5.744 12.867 11.713 341 1HB ASP 10 1HB ASP 10 -3.730 14.274 11.479 342 2HB ASP 10 2HB ASP 10 -4.127 14.544 9.784 343 H GLU 11 H GLU 11 -5.282 12.338 8.350 344 HA GLU 11 HA GLU 11 -7.945 13.405 7.764 345 1HB GLU 11 1HB GLU 11 -5.748 12.704 5.806 346 2HB GLU 11 2HB GLU 11 -7.259 13.528 5.449 347 1HG GLU 11 1HG GLU 11 -6.557 15.362 6.936 348 2HG GLU 11 2HG GLU 11 -4.992 14.569 7.106 349 H LEU 12 H LEU 12 -9.425 12.165 6.603 350 HA LEU 12 HA LEU 12 -8.888 9.283 6.644 351 1HB LEU 12 1HB LEU 12 -11.496 10.791 6.865 352 2HB LEU 12 2HB LEU 12 -11.374 9.046 6.741 353 HG LEU 12 HG LEU 12 -9.927 9.174 8.848 354 1HD1 LEU 12 1HD1 LEU 12 -11.186 11.896 8.984 355 2HD1 LEU 12 2HD1 LEU 12 -9.465 11.516 8.897 356 3HD1 LEU 12 3HD1 LEU 12 -10.393 11.071 10.328 357 1HD2 LEU 12 1HD2 LEU 12 -12.185 8.267 8.830 358 2HD2 LEU 12 2HD2 LEU 12 -12.847 9.892 9.018 359 3HD2 LEU 12 3HD2 LEU 12 -11.883 9.177 10.311 360 H CYS 13 H CYS 13 -10.000 8.019 4.979 361 HA CYS 13 HA CYS 13 -9.190 8.894 2.438 362 1HB CYS 13 1HB CYS 13 -11.038 6.617 3.162 363 2HB CYS 13 2HB CYS 13 -10.239 6.830 1.609 364 HG CYS 13 HG CYS 13 -8.608 6.331 4.573 365 HA PRO 14 HA PRO 14 -12.793 11.162 1.111 366 1HB PRO 14 1HB PRO 14 -12.042 11.393 -1.495 367 2HB PRO 14 2HB PRO 14 -11.385 12.402 -0.203 368 1HG PRO 14 1HG PRO 14 -10.204 9.990 -1.515 369 2HG PRO 14 2HG PRO 14 -9.414 11.499 -1.021 370 1HD PRO 14 1HD PRO 14 -9.260 9.208 0.425 371 2HD PRO 14 2HD PRO 14 -9.208 10.821 1.164 372 H VAL 15 H VAL 15 -11.931 8.017 0.346 373 HA VAL 15 HA VAL 15 -14.251 7.656 -1.399 374 HB VAL 15 HB VAL 15 -12.404 6.750 -2.489 375 1HG1 VAL 15 1HG1 VAL 15 -10.972 6.612 -0.369 376 2HG1 VAL 15 2HG1 VAL 15 -10.664 5.508 -1.701 377 3HG1 VAL 15 3HG1 VAL 15 -11.555 4.947 -0.293 378 1HG2 VAL 15 1HG2 VAL 15 -12.851 4.352 -2.649 379 2HG2 VAL 15 2HG2 VAL 15 -14.332 5.310 -2.616 380 3HG2 VAL 15 3HG2 VAL 15 -13.803 4.453 -1.167 381 H CYS 16 H CYS 16 -12.676 5.531 0.949 382 HA CYS 16 HA CYS 16 -15.214 4.363 1.619 383 1HB CYS 16 1HB CYS 16 -13.885 2.904 3.120 384 2HB CYS 16 2HB CYS 16 -13.292 2.915 1.463 385 HG CYS 16 HG CYS 16 -11.464 3.104 3.958 386 H GLY 17 H GLY 17 -12.721 6.082 3.502 387 1HA GLY 17 1HA GLY 17 -13.693 7.921 4.910 388 2HA GLY 17 2HA GLY 17 -14.840 6.709 5.455 389 H ASP 18 H ASP 18 -12.016 5.061 5.122 390 HA ASP 18 HA ASP 18 -11.541 5.017 7.953 391 1HB ASP 18 1HB ASP 18 -9.757 3.861 5.801 392 2HB ASP 18 2HB ASP 18 -9.774 3.431 7.504 393 H LYS 19 H LYS 19 -9.555 5.598 9.000 394 HA LYS 19 HA LYS 19 -8.465 8.088 8.213 395 1HB LYS 19 1HB LYS 19 -7.432 6.029 10.186 396 2HB LYS 19 2HB LYS 19 -6.759 7.640 9.996 397 1HG LYS 19 1HG LYS 19 -8.165 7.739 11.878 398 2HG LYS 19 2HG LYS 19 -9.049 8.535 10.578 399 1HD LYS 19 1HD LYS 19 -10.332 6.470 10.207 400 2HD LYS 19 2HD LYS 19 -9.457 5.697 11.530 401 1HE LYS 19 1HE LYS 19 -11.143 8.181 11.815 402 2HE LYS 19 2HE LYS 19 -11.711 6.548 12.157 403 1HZ LYS 19 1HZ LYS 19 -10.994 7.729 14.156 404 2HZ LYS 19 2HZ LYS 19 -9.429 7.882 13.521 405 3HZ LYS 19 3HZ LYS 19 -10.052 6.347 13.877 406 H VAL 20 H VAL 20 -6.580 8.584 7.124 407 HA VAL 20 HA VAL 20 -5.780 6.609 5.218 408 HB VAL 20 HB VAL 20 -4.373 8.332 4.240 409 1HG1 VAL 20 1HG1 VAL 20 -6.746 8.342 3.717 410 2HG1 VAL 20 2HG1 VAL 20 -6.117 9.990 3.756 411 3HG1 VAL 20 3HG1 VAL 20 -7.066 9.376 5.110 412 1HG2 VAL 20 1HG2 VAL 20 -5.099 9.989 6.660 413 2HG2 VAL 20 2HG2 VAL 20 -4.243 10.580 5.235 414 3HG2 VAL 20 3HG2 VAL 20 -3.498 9.359 6.267 415 H SER 21 H SER 21 -3.757 5.717 4.854 416 HA SER 21 HA SER 21 -2.014 5.652 7.223 417 1HB SER 21 1HB SER 21 -3.036 3.485 6.557 418 2HB SER 21 2HB SER 21 -2.256 3.623 4.983 419 HG SER 21 HG SER 21 -0.273 3.894 6.494 420 H GLY 22 H GLY 22 -2.251 7.093 4.302 421 1HA GLY 22 1HA GLY 22 -0.151 8.541 4.030 422 2HA GLY 22 2HA GLY 22 0.642 6.992 3.780 423 H TYR 23 H TYR 23 1.244 8.015 1.726 424 HA TYR 23 HA TYR 23 -0.824 8.485 -0.230 425 1HB TYR 23 1HB TYR 23 2.189 8.410 -0.478 426 2HB TYR 23 2HB TYR 23 1.092 8.857 -1.778 427 HD1 TYR 23 HD1 TYR 23 0.141 11.023 -1.893 428 HD2 TYR 23 HD2 TYR 23 2.392 9.868 1.524 429 HE1 TYR 23 HE1 TYR 23 0.208 13.364 -1.151 430 HE2 TYR 23 HE2 TYR 23 2.462 12.205 2.278 431 HH TYR 23 HH TYR 23 0.605 14.704 0.670 432 H HIS 24 H HIS 24 -1.834 6.790 -1.120 433 HA HIS 24 HA HIS 24 -0.129 4.618 -2.124 434 1HB HIS 24 1HB HIS 24 -2.839 4.187 -0.856 435 2HB HIS 24 2HB HIS 24 -1.815 2.948 -1.560 436 HD1 HIS 24 HD1 HIS 24 0.859 3.646 -0.182 437 HD2 HIS 24 HD2 HIS 24 -2.815 3.508 1.750 438 HE1 HIS 24 HE1 HIS 24 1.381 3.171 2.231 439 HE2 HIS 24 HE2 HIS 24 -0.876 2.759 3.284 440 H TYR 25 H TYR 25 -0.227 4.776 -4.242 441 HA TYR 25 HA TYR 25 -1.054 4.350 -6.301 442 1HB TYR 25 1HB TYR 25 -3.762 4.057 -4.991 443 2HB TYR 25 2HB TYR 25 -3.313 3.510 -6.604 444 HD1 TYR 25 HD1 TYR 25 -1.445 1.744 -6.762 445 HD2 TYR 25 HD2 TYR 25 -3.514 2.643 -3.157 446 HE1 TYR 25 HE1 TYR 25 -0.733 -0.411 -5.818 447 HE2 TYR 25 HE2 TYR 25 -2.808 0.492 -2.208 448 HH TYR 25 HH TYR 25 -0.498 -1.556 -3.828 449 H GLY 26 H GLY 26 -1.691 7.027 -4.583 450 1HA GLY 26 1HA GLY 26 -2.015 8.732 -6.720 451 2HA GLY 26 2HA GLY 26 -3.647 8.316 -6.213 452 H LEU 27 H LEU 27 -3.783 8.368 -3.646 453 HA LEU 27 HA LEU 27 -2.290 10.597 -2.570 454 1HB LEU 27 1HB LEU 27 -4.376 11.753 -1.781 455 2HB LEU 27 2HB LEU 27 -4.022 11.888 -3.482 456 HG LEU 27 HG LEU 27 -6.431 11.666 -2.954 457 1HD1 LEU 27 1HD1 LEU 27 -5.323 9.399 -4.593 458 2HD1 LEU 27 2HD1 LEU 27 -5.616 11.046 -5.155 459 3HD1 LEU 27 3HD1 LEU 27 -6.970 10.027 -4.666 460 1HD2 LEU 27 1HD2 LEU 27 -5.740 8.862 -2.113 461 2HD2 LEU 27 2HD2 LEU 27 -7.367 9.507 -2.335 462 3HD2 LEU 27 3HD2 LEU 27 -6.328 10.154 -1.067 463 H LEU 28 H LEU 28 -3.812 11.074 -0.334 464 HA LEU 28 HA LEU 28 -2.981 9.117 1.459 465 1HB LEU 28 1HB LEU 28 -5.260 11.062 1.773 466 2HB LEU 28 2HB LEU 28 -4.405 10.254 3.072 467 HG LEU 28 HG LEU 28 -3.051 12.152 1.170 468 1HD1 LEU 28 1HD1 LEU 28 -4.785 13.395 2.216 469 2HD1 LEU 28 2HD1 LEU 28 -3.280 13.783 3.054 470 3HD1 LEU 28 3HD1 LEU 28 -4.436 12.675 3.787 471 1HD2 LEU 28 1HD2 LEU 28 -1.583 10.623 2.386 472 2HD2 LEU 28 2HD2 LEU 28 -2.317 11.118 3.910 473 3HD2 LEU 28 3HD2 LEU 28 -1.387 12.279 2.962 474 H THR 29 H THR 29 -3.661 7.070 1.485 475 HA THR 29 HA THR 29 -6.545 6.598 1.678 476 HB THR 29 HB THR 29 -6.161 4.450 0.337 477 HG1 THR 29 HG1 THR 29 -4.182 5.609 -1.136 478 1HG2 THR 29 1HG2 THR 29 -7.417 6.365 -0.550 479 2HG2 THR 29 2HG2 THR 29 -6.467 5.579 -1.812 480 3HG2 THR 29 3HG2 THR 29 -5.909 7.096 -1.104 481 H CYS 30 H CYS 30 -7.038 4.472 2.659 482 HA CYS 30 HA CYS 30 -5.144 3.913 4.796 483 1HB CYS 30 1HB CYS 30 -6.968 2.663 5.824 484 2HB CYS 30 2HB CYS 30 -7.540 4.252 5.326 485 HG CYS 30 HG CYS 30 -9.605 2.457 4.838 486 H GLU 31 H GLU 31 -4.993 1.523 5.454 487 HA GLU 31 HA GLU 31 -3.877 0.075 3.287 488 1HB GLU 31 1HB GLU 31 -4.457 -0.722 6.137 489 2HB GLU 31 2HB GLU 31 -3.617 -1.756 4.987 490 1HG GLU 31 1HG GLU 31 -2.716 0.942 5.971 491 2HG GLU 31 2HG GLU 31 -2.020 -0.625 6.386 492 H SER 32 H SER 32 -7.052 0.230 4.618 493 HA SER 32 HA SER 32 -7.988 -2.259 3.620 494 1HB SER 32 1HB SER 32 -9.204 -0.865 5.323 495 2HB SER 32 2HB SER 32 -9.608 0.268 4.034 496 HG SER 32 HG SER 32 -10.829 -2.018 4.707 497 H CYS 33 H CYS 33 -7.977 1.055 2.316 498 HA CYS 33 HA CYS 33 -9.087 0.470 -0.201 499 1HB CYS 33 1HB CYS 33 -7.027 2.575 0.515 500 2HB CYS 33 2HB CYS 33 -7.966 2.538 -0.971 501 HG CYS 33 HG CYS 33 -9.245 3.005 2.173 502 H LYS 34 H LYS 34 -5.736 0.700 0.872 503 HA LYS 34 HA LYS 34 -4.487 0.048 -1.529 504 1HB LYS 34 1HB LYS 34 -3.253 1.070 0.218 505 2HB LYS 34 2HB LYS 34 -3.668 -0.198 1.356 506 1HG LYS 34 1HG LYS 34 -2.170 -1.716 0.362 507 2HG LYS 34 2HG LYS 34 -1.966 -0.694 -1.066 508 1HD LYS 34 1HD LYS 34 -0.646 0.837 0.057 509 2HD LYS 34 2HD LYS 34 -1.278 0.377 1.637 510 1HE LYS 34 1HE LYS 34 0.474 -1.382 -0.066 511 2HE LYS 34 2HE LYS 34 1.073 -0.329 1.216 512 1HZ LYS 34 1HZ LYS 34 0.780 -2.558 2.038 513 2HZ LYS 34 2HZ LYS 34 -0.837 -2.574 1.552 514 3HZ LYS 34 3HZ LYS 34 -0.339 -1.531 2.793 515 H GLY 35 H GLY 35 -5.431 -2.075 1.171 516 1HA GLY 35 1HA GLY 35 -4.416 -4.463 0.080 517 2HA GLY 35 2HA GLY 35 -5.696 -4.349 1.278 518 H PHE 36 H PHE 36 -7.689 -3.083 -0.065 519 HA PHE 36 HA PHE 36 -8.820 -5.169 -1.593 520 1HB PHE 36 1HB PHE 36 -10.218 -3.624 -0.345 521 2HB PHE 36 2HB PHE 36 -9.636 -2.269 -1.305 522 HD1 PHE 36 HD1 PHE 36 -11.587 -5.412 -1.479 523 HD2 PHE 36 HD2 PHE 36 -10.686 -1.677 -3.311 524 HE1 PHE 36 HE1 PHE 36 -13.449 -5.739 -3.056 525 HE2 PHE 36 HE2 PHE 36 -12.545 -1.997 -4.890 526 HZ PHE 36 HZ PHE 36 -13.929 -4.030 -4.763 527 H PHE 37 H PHE 37 -7.175 -2.191 -2.469 528 HA PHE 37 HA PHE 37 -7.824 -2.167 -5.199 529 1HB PHE 37 1HB PHE 37 -6.620 -0.401 -3.632 530 2HB PHE 37 2HB PHE 37 -5.169 -1.159 -4.276 531 HD1 PHE 37 HD1 PHE 37 -4.253 -0.274 -6.191 532 HD2 PHE 37 HD2 PHE 37 -8.411 0.242 -5.461 533 HE1 PHE 37 HE1 PHE 37 -4.429 1.133 -8.202 534 HE2 PHE 37 HE2 PHE 37 -8.595 1.649 -7.469 535 HZ PHE 37 HZ PHE 37 -6.602 2.096 -8.843 536 H LYS 38 H LYS 38 -5.027 -3.556 -3.470 537 HA LYS 38 HA LYS 38 -3.773 -4.642 -5.747 538 1HB LYS 38 1HB LYS 38 -3.747 -5.804 -2.956 539 2HB LYS 38 2HB LYS 38 -2.603 -6.157 -4.241 540 1HG LYS 38 1HG LYS 38 -2.104 -3.631 -4.174 541 2HG LYS 38 2HG LYS 38 -2.894 -3.682 -2.600 542 1HD LYS 38 1HD LYS 38 -0.416 -5.150 -3.483 543 2HD LYS 38 2HD LYS 38 -0.562 -3.937 -2.213 544 1HE LYS 38 1HE LYS 38 -0.489 -5.842 -0.948 545 2HE LYS 38 2HE LYS 38 -2.230 -5.698 -1.184 546 1HZ LYS 38 1HZ LYS 38 -2.079 -7.290 -2.998 547 2HZ LYS 38 2HZ LYS 38 -1.458 -7.962 -1.574 548 3HZ LYS 38 3HZ LYS 38 -0.407 -7.419 -2.787 549 H ARG 39 H ARG 39 -6.189 -5.981 -3.532 550 HA ARG 39 HA ARG 39 -6.256 -8.572 -4.577 551 1HB ARG 39 1HB ARG 39 -8.420 -6.978 -3.205 552 2HB ARG 39 2HB ARG 39 -8.541 -8.698 -3.563 553 1HG ARG 39 1HG ARG 39 -6.610 -9.147 -2.167 554 2HG ARG 39 2HG ARG 39 -6.435 -7.424 -1.838 555 1HD ARG 39 1HD ARG 39 -8.666 -7.425 -0.788 556 2HD ARG 39 2HD ARG 39 -8.784 -9.160 -1.082 557 HE ARG 39 HE ARG 39 -7.231 -7.834 0.961 558 1HH1 ARG 39 1HH1 ARG 39 -7.733 -10.788 -0.860 559 2HH1 ARG 39 2HH1 ARG 39 -6.909 -11.786 0.304 560 1HH2 ARG 39 1HH2 ARG 39 -6.172 -9.170 2.506 561 2HH2 ARG 39 2HH2 ARG 39 -6.033 -10.878 2.203 562 H THR 40 H THR 40 -7.846 -5.630 -5.608 563 HA THR 40 HA THR 40 -9.535 -6.954 -7.514 564 HB THR 40 HB THR 40 -8.840 -4.020 -7.278 565 HG1 THR 40 HG1 THR 40 -9.866 -4.686 -5.403 566 1HG2 THR 40 1HG2 THR 40 -9.755 -4.609 -9.473 567 2HG2 THR 40 2HG2 THR 40 -10.911 -3.659 -8.539 568 3HG2 THR 40 3HG2 THR 40 -11.124 -5.402 -8.693 569 H VAL 41 H VAL 41 -6.719 -4.760 -7.829 570 HA VAL 41 HA VAL 41 -6.633 -4.973 -10.654 571 HB VAL 41 HB VAL 41 -4.435 -4.073 -8.787 572 1HG1 VAL 41 1HG1 VAL 41 -3.615 -4.578 -11.029 573 2HG1 VAL 41 2HG1 VAL 41 -3.586 -2.841 -10.725 574 3HG1 VAL 41 3HG1 VAL 41 -4.858 -3.539 -11.728 575 1HG2 VAL 41 1HG2 VAL 41 -5.259 -1.809 -9.230 576 2HG2 VAL 41 2HG2 VAL 41 -6.486 -2.802 -8.443 577 3HG2 VAL 41 3HG2 VAL 41 -6.589 -2.480 -10.174 578 H GLN 42 H GLN 42 -4.700 -6.532 -8.102 579 HA GLN 42 HA GLN 42 -2.898 -7.777 -9.906 580 1HB GLN 42 1HB GLN 42 -3.488 -8.013 -7.000 581 2HB GLN 42 2HB GLN 42 -2.577 -9.308 -7.764 582 1HG GLN 42 1HG GLN 42 -0.834 -7.850 -8.387 583 2HG GLN 42 2HG GLN 42 -1.799 -6.422 -8.026 584 1HE2 GLN 42 1HE2 GLN 42 -0.071 -5.693 -6.719 585 2HE2 GLN 42 2HE2 GLN 42 0.175 -6.333 -5.135 586 H ASN 43 H ASN 43 -5.975 -8.773 -8.548 587 HA ASN 43 HA ASN 43 -5.692 -11.416 -9.749 588 1HB ASN 43 1HB ASN 43 -7.852 -10.191 -8.034 589 2HB ASN 43 2HB ASN 43 -8.038 -11.758 -8.813 590 1HD2 ASN 43 1HD2 ASN 43 -6.559 -9.992 -6.264 591 2HD2 ASN 43 2HD2 ASN 43 -5.835 -11.344 -5.461 592 H ASN 44 H ASN 44 -6.409 -8.464 -10.864 593 HA ASN 44 HA ASN 44 -7.538 -7.579 -12.621 594 1HB ASN 44 1HB ASN 44 -7.236 -10.436 -13.553 595 2HB ASN 44 2HB ASN 44 -7.903 -9.167 -14.574 596 1HD2 ASN 44 1HD2 ASN 44 -5.069 -10.438 -13.078 597 2HD2 ASN 44 2HD2 ASN 44 -3.920 -9.431 -13.893 598 H LYS 45 H LYS 45 -9.155 -7.990 -10.526 599 HA LYS 45 HA LYS 45 -11.419 -9.623 -11.191 600 1HB LYS 45 1HB LYS 45 -10.949 -7.642 -8.967 601 2HB LYS 45 2HB LYS 45 -12.417 -8.596 -9.132 602 1HG LYS 45 1HG LYS 45 -10.954 -10.641 -9.068 603 2HG LYS 45 2HG LYS 45 -9.629 -9.570 -8.605 604 1HD LYS 45 1HD LYS 45 -10.844 -8.862 -6.637 605 2HD LYS 45 2HD LYS 45 -12.241 -9.827 -7.119 606 1HE LYS 45 1HE LYS 45 -9.505 -10.870 -6.406 607 2HE LYS 45 2HE LYS 45 -10.953 -10.974 -5.408 608 1HZ LYS 45 1HZ LYS 45 -11.978 -12.368 -7.097 609 2HZ LYS 45 2HZ LYS 45 -10.520 -13.048 -6.567 610 3HZ LYS 45 3HZ LYS 45 -10.591 -12.258 -8.067 611 H HIS 46 H HIS 46 -13.554 -8.894 -11.416 612 HA HIS 46 HA HIS 46 -13.909 -6.114 -12.228 613 1HB HIS 46 1HB HIS 46 -15.451 -6.954 -14.082 614 2HB HIS 46 2HB HIS 46 -13.723 -7.106 -14.345 615 HD1 HIS 46 HD1 HIS 46 -14.087 -8.944 -16.093 616 HD2 HIS 46 HD2 HIS 46 -15.512 -9.922 -12.307 617 HE1 HIS 46 HE1 HIS 46 -14.527 -11.416 -16.149 618 HE2 HIS 46 HE2 HIS 46 -15.172 -12.017 -13.791 619 H TYR 47 H TYR 47 -16.020 -5.301 -11.920 620 HA TYR 47 HA TYR 47 -17.723 -6.994 -10.227 621 1HB TYR 47 1HB TYR 47 -16.997 -4.129 -9.579 622 2HB TYR 47 2HB TYR 47 -18.010 -5.201 -8.619 623 HD1 TYR 47 HD1 TYR 47 -16.876 -7.354 -7.717 624 HD2 TYR 47 HD2 TYR 47 -14.734 -3.962 -9.128 625 HE1 TYR 47 HE1 TYR 47 -14.896 -8.090 -6.462 626 HE2 TYR 47 HE2 TYR 47 -12.749 -4.687 -7.878 627 HH TYR 47 HH TYR 47 -12.102 -6.067 -6.084 628 H THR 48 H THR 48 -19.877 -5.910 -9.832 629 HA THR 48 HA THR 48 -20.726 -3.997 -11.823 630 HB THR 48 HB THR 48 -21.856 -6.807 -11.862 631 HG1 THR 48 HG1 THR 48 -19.800 -5.835 -13.142 632 1HG2 THR 48 1HG2 THR 48 -23.613 -5.127 -12.145 633 2HG2 THR 48 2HG2 THR 48 -23.316 -5.987 -13.656 634 3HG2 THR 48 3HG2 THR 48 -22.681 -4.357 -13.428 635 H CYS 49 H CYS 49 -22.097 -2.688 -10.831 636 HA CYS 49 HA CYS 49 -23.510 -3.654 -8.457 637 1HB CYS 49 1HB CYS 49 -22.165 -1.631 -8.163 638 2HB CYS 49 2HB CYS 49 -23.040 -0.840 -9.469 639 HG CYS 49 HG CYS 49 -24.668 -1.935 -6.677 640 H THR 50 H THR 50 -25.709 -3.658 -8.312 641 HA THR 50 HA THR 50 -27.120 -3.446 -10.860 642 HB THR 50 HB THR 50 -28.138 -4.584 -8.248 643 HG1 THR 50 HG1 THR 50 -26.762 -5.842 -10.421 644 1HG2 THR 50 1HG2 THR 50 -29.877 -4.079 -9.902 645 2HG2 THR 50 2HG2 THR 50 -29.690 -5.820 -9.693 646 3HG2 THR 50 3HG2 THR 50 -29.008 -5.023 -11.111 647 H GLU 51 H GLU 51 -26.656 -1.665 -8.016 648 HA GLU 51 HA GLU 51 -29.261 -0.454 -7.918 649 1HB GLU 51 1HB GLU 51 -26.667 0.207 -6.533 650 2HB GLU 51 2HB GLU 51 -28.153 1.113 -6.286 651 1HG GLU 51 1HG GLU 51 -27.844 -1.834 -5.777 652 2HG GLU 51 2HG GLU 51 -27.722 -0.577 -4.544 653 H SER 52 H SER 52 -26.208 1.358 -8.118 654 HA SER 52 HA SER 52 -27.233 2.758 -10.475 655 1HB SER 52 1HB SER 52 -28.014 3.923 -8.358 656 2HB SER 52 2HB SER 52 -26.321 4.260 -8.010 657 HG SER 52 HG SER 52 -27.601 5.016 -10.432 658 H GLN 53 H GLN 53 -24.925 0.972 -9.550 659 HA GLN 53 HA GLN 53 -22.760 0.631 -10.099 660 1HB GLN 53 1HB GLN 53 -23.092 3.170 -11.693 661 2HB GLN 53 2HB GLN 53 -21.632 2.190 -11.709 662 1HG GLN 53 1HG GLN 53 -23.016 0.271 -12.492 663 2HG GLN 53 2HG GLN 53 -24.379 1.381 -12.628 664 1HE2 GLN 53 1HE2 GLN 53 -24.377 2.935 -14.251 665 2HE2 GLN 53 2HE2 GLN 53 -23.294 2.858 -15.595 666 H SER 54 H SER 54 -23.543 3.850 -8.944 667 HA SER 54 HA SER 54 -21.194 3.675 -7.197 668 1HB SER 54 1HB SER 54 -22.268 6.220 -8.443 669 2HB SER 54 2HB SER 54 -20.888 6.093 -7.350 670 HG SER 54 HG SER 54 -20.265 4.442 -9.181 671 H CYS 55 H CYS 55 -22.466 2.818 -5.588 672 HA CYS 55 HA CYS 55 -24.761 4.304 -4.612 673 1HB CYS 55 1HB CYS 55 -23.462 1.818 -3.482 674 2HB CYS 55 2HB CYS 55 -25.053 2.455 -3.072 675 HG CYS 55 HG CYS 55 -24.525 0.132 -5.087 676 H LYS 56 H LYS 56 -24.756 4.185 -2.016 677 HA LYS 56 HA LYS 56 -22.916 6.097 -1.079 678 1HB LYS 56 1HB LYS 56 -24.655 4.149 0.454 679 2HB LYS 56 2HB LYS 56 -23.845 5.545 1.151 680 1HG LYS 56 1HG LYS 56 -25.190 7.051 -0.117 681 2HG LYS 56 2HG LYS 56 -25.882 5.724 -1.053 682 1HD LYS 56 1HD LYS 56 -27.002 4.867 0.893 683 2HD LYS 56 2HD LYS 56 -26.193 6.046 1.928 684 1HE LYS 56 1HE LYS 56 -28.075 6.746 -0.320 685 2HE LYS 56 2HE LYS 56 -28.543 6.637 1.377 686 1HZ LYS 56 1HZ LYS 56 -26.948 8.385 1.887 687 2HZ LYS 56 2HZ LYS 56 -28.085 8.919 0.748 688 3HZ LYS 56 3HZ LYS 56 -26.516 8.500 0.252 689 H ILE 57 H ILE 57 -21.032 5.881 0.090 690 HA ILE 57 HA ILE 57 -19.965 3.148 0.254 691 HB ILE 57 HB ILE 57 -18.421 5.745 0.328 692 1HG1 ILE 57 1HG1 ILE 57 -19.468 5.334 -1.872 693 2HG1 ILE 57 2HG1 ILE 57 -17.716 5.197 -1.946 694 1HG2 ILE 57 1HG2 ILE 57 -16.461 4.301 0.021 695 2HG2 ILE 57 2HG2 ILE 57 -17.500 2.880 0.123 696 3HG2 ILE 57 3HG2 ILE 57 -17.314 3.938 1.522 697 1HD1 ILE 57 1HD1 ILE 57 -17.913 2.760 -1.890 698 2HD1 ILE 57 2HD1 ILE 57 -18.787 3.460 -3.253 699 3HD1 ILE 57 3HD1 ILE 57 -19.668 2.910 -1.827 700 H ASP 58 H ASP 58 -19.741 2.260 2.154 701 HA ASP 58 HA ASP 58 -19.404 3.813 4.575 702 1HB ASP 58 1HB ASP 58 -21.877 3.763 4.165 703 2HB ASP 58 2HB ASP 58 -21.810 2.007 4.193 704 H LYS 59 H LYS 59 -19.614 2.020 6.472 705 HA LYS 59 HA LYS 59 -17.379 0.369 6.154 706 1HB LYS 59 1HB LYS 59 -19.610 0.246 8.189 707 2HB LYS 59 2HB LYS 59 -18.088 -0.626 8.321 708 1HG LYS 59 1HG LYS 59 -16.854 1.402 8.507 709 2HG LYS 59 2HG LYS 59 -18.274 2.369 8.109 710 1HD LYS 59 1HD LYS 59 -18.003 0.627 10.558 711 2HD LYS 59 2HD LYS 59 -17.733 2.370 10.528 712 1HE LYS 59 1HE LYS 59 -20.065 2.666 9.734 713 2HE LYS 59 2HE LYS 59 -20.310 0.929 9.909 714 1HZ LYS 59 1HZ LYS 59 -19.887 1.120 12.265 715 2HZ LYS 59 2HZ LYS 59 -21.128 2.190 11.822 716 3HZ LYS 59 3HZ LYS 59 -19.566 2.778 12.112 717 H THR 60 H THR 60 -20.837 -0.364 5.983 718 HA THR 60 HA THR 60 -20.276 -3.139 5.329 719 HB THR 60 HB THR 60 -22.186 -2.692 6.775 720 HG1 THR 60 HG1 THR 60 -23.261 -4.268 5.857 721 1HG2 THR 60 1HG2 THR 60 -23.342 -1.178 4.430 722 2HG2 THR 60 2HG2 THR 60 -22.817 -0.481 5.963 723 3HG2 THR 60 3HG2 THR 60 -24.200 -1.574 5.920 724 H GLN 61 H GLN 61 -21.320 -0.189 3.720 725 HA GLN 61 HA GLN 61 -22.279 -1.348 1.345 726 1HB GLN 61 1HB GLN 61 -21.127 1.395 1.832 727 2HB GLN 61 2HB GLN 61 -22.022 0.920 0.397 728 1HG GLN 61 1HG GLN 61 -23.162 0.790 3.171 729 2HG GLN 61 2HG GLN 61 -23.307 2.198 2.128 730 1HE2 GLN 61 1HE2 GLN 61 -24.369 -1.018 2.755 731 2HE2 GLN 61 2HE2 GLN 61 -25.647 -1.056 1.585 732 H ARG 62 H ARG 62 -19.045 -0.470 2.371 733 HA ARG 62 HA ARG 62 -17.846 -0.508 -0.198 734 1HB ARG 62 1HB ARG 62 -15.706 -0.624 1.021 735 2HB ARG 62 2HB ARG 62 -16.767 0.627 1.652 736 1HG ARG 62 1HG ARG 62 -17.446 -0.977 3.450 737 2HG ARG 62 2HG ARG 62 -16.180 -2.060 2.867 738 1HD ARG 62 1HD ARG 62 -14.490 -0.401 3.332 739 2HD ARG 62 2HD ARG 62 -15.722 0.777 3.781 740 HE ARG 62 HE ARG 62 -16.028 -1.484 5.404 741 1HH1 ARG 62 1HH1 ARG 62 -13.746 1.101 4.865 742 2HH1 ARG 62 2HH1 ARG 62 -13.156 1.120 6.495 743 1HH2 ARG 62 1HH2 ARG 62 -15.248 -1.483 7.570 744 2HH2 ARG 62 2HH2 ARG 62 -14.009 -0.355 8.037 745 H LYS 63 H LYS 63 -18.946 -3.001 1.836 746 HA LYS 63 HA LYS 63 -17.353 -5.034 0.467 747 1HB LYS 63 1HB LYS 63 -19.450 -5.338 2.628 748 2HB LYS 63 2HB LYS 63 -18.443 -6.626 1.987 749 1HG LYS 63 1HG LYS 63 -16.450 -5.448 2.841 750 2HG LYS 63 2HG LYS 63 -17.510 -4.233 3.554 751 1HD LYS 63 1HD LYS 63 -16.869 -5.864 5.234 752 2HD LYS 63 2HD LYS 63 -18.597 -5.991 4.895 753 1HE LYS 63 1HE LYS 63 -18.127 -7.885 3.381 754 2HE LYS 63 2HE LYS 63 -16.421 -7.776 3.807 755 1HZ LYS 63 1HZ LYS 63 -17.484 -9.494 5.081 756 2HZ LYS 63 2HZ LYS 63 -18.663 -8.414 5.653 757 3HZ LYS 63 3HZ LYS 63 -17.044 -8.232 6.122 758 H ARG 64 H ARG 64 -20.664 -3.916 0.865 759 HA ARG 64 HA ARG 64 -21.924 -5.925 -0.667 760 1HB ARG 64 1HB ARG 64 -22.837 -3.094 -0.130 761 2HB ARG 64 2HB ARG 64 -23.850 -4.405 -0.715 762 1HG ARG 64 1HG ARG 64 -23.435 -5.628 1.383 763 2HG ARG 64 2HG ARG 64 -22.493 -4.253 1.969 764 1HD ARG 64 1HD ARG 64 -24.467 -2.818 1.725 765 2HD ARG 64 2HD ARG 64 -25.402 -4.208 1.179 766 HE ARG 64 HE ARG 64 -24.147 -4.290 3.830 767 1HH1 ARG 64 1HH1 ARG 64 -27.023 -4.107 1.839 768 2HH1 ARG 64 2HH1 ARG 64 -28.114 -4.446 3.150 769 1HH2 ARG 64 1HH2 ARG 64 -25.581 -4.761 5.565 770 2HH2 ARG 64 2HH2 ARG 64 -27.292 -4.847 5.259 771 H CYS 65 H CYS 65 -20.730 -2.698 -1.485 772 HA CYS 65 HA CYS 65 -21.009 -3.416 -4.325 773 1HB CYS 65 1HB CYS 65 -21.322 -0.728 -2.992 774 2HB CYS 65 2HB CYS 65 -21.117 -0.917 -4.730 775 HG CYS 65 HG CYS 65 -23.808 -1.612 -2.798 776 HA PRO 66 HA PRO 66 -16.486 -2.874 -3.535 777 1HB PRO 66 1HB PRO 66 -15.776 -4.829 -5.314 778 2HB PRO 66 2HB PRO 66 -16.085 -5.128 -3.601 779 1HG PRO 66 1HG PRO 66 -17.872 -5.561 -5.954 780 2HG PRO 66 2HG PRO 66 -17.640 -6.576 -4.519 781 1HD PRO 66 1HD PRO 66 -19.774 -4.941 -4.821 782 2HD PRO 66 2HD PRO 66 -19.063 -5.301 -3.234 783 H PHE 67 H PHE 67 -18.505 -3.131 -6.378 784 HA PHE 67 HA PHE 67 -16.714 -2.035 -8.266 785 1HB PHE 67 1HB PHE 67 -18.817 -3.230 -8.849 786 2HB PHE 67 2HB PHE 67 -19.739 -1.868 -8.227 787 HD1 PHE 67 HD1 PHE 67 -17.027 -2.592 -10.684 788 HD2 PHE 67 HD2 PHE 67 -20.463 -0.275 -9.716 789 HE1 PHE 67 HE1 PHE 67 -16.934 -1.534 -12.903 790 HE2 PHE 67 HE2 PHE 67 -20.374 0.787 -11.933 791 HZ PHE 67 HZ PHE 67 -18.609 0.157 -13.530 792 H CYS 68 H CYS 68 -19.287 -0.544 -6.313 793 HA CYS 68 HA CYS 68 -18.888 2.102 -7.152 794 1HB CYS 68 1HB CYS 68 -19.839 1.195 -4.426 795 2HB CYS 68 2HB CYS 68 -20.187 2.732 -5.213 796 HG CYS 68 HG CYS 68 -21.416 1.072 -7.410 797 H ARG 69 H ARG 69 -17.512 0.237 -4.509 798 HA ARG 69 HA ARG 69 -15.981 2.237 -3.293 799 1HB ARG 69 1HB ARG 69 -16.416 0.062 -2.271 800 2HB ARG 69 2HB ARG 69 -15.477 -0.734 -3.523 801 1HG ARG 69 1HG ARG 69 -13.469 0.447 -2.734 802 2HG ARG 69 2HG ARG 69 -14.432 1.167 -1.439 803 1HD ARG 69 1HD ARG 69 -14.973 -1.078 -0.612 804 2HD ARG 69 2HD ARG 69 -13.981 -1.779 -1.890 805 HE ARG 69 HE ARG 69 -12.339 -0.036 -0.530 806 1HH1 ARG 69 1HH1 ARG 69 -14.196 -2.906 0.211 807 2HH1 ARG 69 2HH1 ARG 69 -13.126 -3.428 1.475 808 1HH2 ARG 69 1HH2 ARG 69 -10.936 -0.711 1.145 809 2HH2 ARG 69 2HH2 ARG 69 -11.282 -2.161 2.026 810 H PHE 70 H PHE 70 -15.051 -0.175 -5.732 811 HA PHE 70 HA PHE 70 -12.409 0.670 -6.105 812 1HB PHE 70 1HB PHE 70 -13.245 -1.497 -6.866 813 2HB PHE 70 2HB PHE 70 -14.301 -0.704 -8.027 814 HD1 PHE 70 HD1 PHE 70 -13.594 -0.441 -10.195 815 HD2 PHE 70 HD2 PHE 70 -10.698 -1.011 -7.131 816 HE1 PHE 70 HE1 PHE 70 -11.828 -0.582 -11.898 817 HE2 PHE 70 HE2 PHE 70 -8.923 -1.150 -8.830 818 HZ PHE 70 HZ PHE 70 -9.487 -0.935 -11.218 819 H GLN 71 H GLN 71 -15.376 1.541 -7.852 820 HA GLN 71 HA GLN 71 -14.234 3.185 -9.784 821 1HB GLN 71 1HB GLN 71 -16.946 3.256 -8.475 822 2HB GLN 71 2HB GLN 71 -16.497 4.365 -9.764 823 1HG GLN 71 1HG GLN 71 -16.535 1.362 -9.959 824 2HG GLN 71 2HG GLN 71 -17.755 2.457 -10.605 825 1HE2 GLN 71 1HE2 GLN 71 -15.769 4.440 -11.451 826 2HE2 GLN 71 2HE2 GLN 71 -15.007 3.770 -12.856 827 H LYS 72 H LYS 72 -15.295 4.008 -6.479 828 HA LYS 72 HA LYS 72 -14.691 6.769 -6.848 829 1HB LYS 72 1HB LYS 72 -16.333 6.029 -5.157 830 2HB LYS 72 2HB LYS 72 -15.021 5.307 -4.226 831 1HG LYS 72 1HG LYS 72 -14.033 7.414 -3.801 832 2HG LYS 72 2HG LYS 72 -15.066 8.215 -4.984 833 1HD LYS 72 1HD LYS 72 -15.934 7.011 -2.357 834 2HD LYS 72 2HD LYS 72 -15.794 8.728 -2.743 835 1HE LYS 72 1HE LYS 72 -17.496 8.336 -4.561 836 2HE LYS 72 2HE LYS 72 -17.751 6.737 -3.862 837 1HZ LYS 72 1HZ LYS 72 -18.240 9.368 -2.587 838 2HZ LYS 72 2HZ LYS 72 -18.229 7.915 -1.717 839 3HZ LYS 72 3HZ LYS 72 -19.378 8.158 -2.942 840 H CYS 73 H CYS 73 -12.840 3.994 -5.797 841 HA CYS 73 HA CYS 73 -10.619 5.310 -4.730 842 1HB CYS 73 1HB CYS 73 -10.664 2.816 -6.452 843 2HB CYS 73 2HB CYS 73 -9.300 3.347 -5.473 844 HG CYS 73 HG CYS 73 -12.357 2.479 -4.200 845 H LEU 74 H LEU 74 -11.252 4.381 -8.134 846 HA LEU 74 HA LEU 74 -9.085 5.881 -9.177 847 1HB LEU 74 1HB LEU 74 -11.623 4.844 -10.416 848 2HB LEU 74 2HB LEU 74 -10.457 5.768 -11.333 849 HG LEU 74 HG LEU 74 -8.745 4.011 -10.648 850 1HD1 LEU 74 1HD1 LEU 74 -9.683 1.798 -10.141 851 2HD1 LEU 74 2HD1 LEU 74 -11.269 2.548 -9.948 852 3HD1 LEU 74 3HD1 LEU 74 -9.952 2.974 -8.856 853 1HD2 LEU 74 1HD2 LEU 74 -11.043 3.222 -12.425 854 2HD2 LEU 74 2HD2 LEU 74 -9.432 2.504 -12.442 855 3HD2 LEU 74 3HD2 LEU 74 -9.651 4.194 -12.899 856 H THR 75 H THR 75 -12.362 6.679 -8.333 857 HA THR 75 HA THR 75 -12.684 9.132 -9.617 858 HB THR 75 HB THR 75 -13.784 8.097 -7.005 859 HG1 THR 75 HG1 THR 75 -14.371 7.086 -9.060 860 1HG2 THR 75 1HG2 THR 75 -15.424 9.865 -7.031 861 2HG2 THR 75 2HG2 THR 75 -14.740 10.526 -8.519 862 3HG2 THR 75 3HG2 THR 75 -13.807 10.574 -7.021 863 H VAL 76 H VAL 76 -11.347 8.447 -6.373 864 HA VAL 76 HA VAL 76 -10.968 11.212 -5.791 865 HB VAL 76 HB VAL 76 -9.759 10.491 -3.796 866 1HG1 VAL 76 1HG1 VAL 76 -12.194 10.549 -3.762 867 2HG1 VAL 76 2HG1 VAL 76 -11.578 9.263 -2.726 868 3HG1 VAL 76 3HG1 VAL 76 -12.250 8.873 -4.310 869 1HG2 VAL 76 1HG2 VAL 76 -8.543 8.588 -4.713 870 2HG2 VAL 76 2HG2 VAL 76 -10.055 7.697 -4.897 871 3HG2 VAL 76 3HG2 VAL 76 -9.467 8.113 -3.287 872 H GLY 77 H GLY 77 -9.034 8.818 -7.398 873 1HA GLY 77 1HA GLY 77 -7.443 10.139 -8.905 874 2HA GLY 77 2HA GLY 77 -6.774 10.711 -7.389 875 H MET 78 H MET 78 -7.726 7.503 -7.028 876 HA MET 78 HA MET 78 -5.003 6.610 -7.020 877 1HB MET 78 1HB MET 78 -7.571 5.044 -6.708 878 2HB MET 78 2HB MET 78 -5.957 4.416 -6.408 879 1HG MET 78 1HG MET 78 -5.642 5.975 -4.595 880 2HG MET 78 2HG MET 78 -7.201 6.724 -4.933 881 1HE MET 78 1HE MET 78 -5.366 3.487 -3.691 882 2HE MET 78 2HE MET 78 -6.322 2.918 -5.059 883 3HE MET 78 3HE MET 78 -6.726 2.397 -3.422 884 H ARG 79 H ARG 79 -3.939 5.404 -8.491 885 HA ARG 79 HA ARG 79 -5.354 4.881 -11.021 886 1HB ARG 79 1HB ARG 79 -2.466 5.683 -10.624 887 2HB ARG 79 2HB ARG 79 -3.218 5.315 -12.171 888 1HG ARG 79 1HG ARG 79 -3.872 7.613 -10.342 889 2HG ARG 79 2HG ARG 79 -3.076 7.692 -11.915 890 1HD ARG 79 1HD ARG 79 -5.089 6.895 -13.006 891 2HD ARG 79 2HD ARG 79 -5.884 6.704 -11.445 892 HE ARG 79 HE ARG 79 -5.021 9.333 -12.468 893 1HH1 ARG 79 1HH1 ARG 79 -7.387 7.250 -10.948 894 2HH1 ARG 79 2HH1 ARG 79 -8.561 8.516 -10.741 895 1HH2 ARG 79 1HH2 ARG 79 -6.533 10.990 -12.205 896 2HH2 ARG 79 2HH2 ARG 79 -8.074 10.666 -11.459 897 H LEU 80 H LEU 80 -4.760 3.089 -12.226 898 HA LEU 80 HA LEU 80 -4.169 0.774 -10.637 899 1HB LEU 80 1HB LEU 80 -4.432 0.952 -13.635 900 2HB LEU 80 2HB LEU 80 -4.651 -0.467 -12.630 901 HG LEU 80 HG LEU 80 -6.449 1.953 -12.545 902 1HD1 LEU 80 1HD1 LEU 80 -6.868 -0.696 -13.914 903 2HD1 LEU 80 2HD1 LEU 80 -6.536 0.839 -14.719 904 3HD1 LEU 80 3HD1 LEU 80 -8.034 0.625 -13.811 905 1HD2 LEU 80 1HD2 LEU 80 -6.765 -0.820 -11.402 906 2HD2 LEU 80 2HD2 LEU 80 -7.956 0.480 -11.320 907 3HD2 LEU 80 3HD2 LEU 80 -6.412 0.642 -10.481 908 H GLU 81 H GLU 81 -2.527 2.778 -12.943 909 HA GLU 81 HA GLU 81 -0.356 1.203 -13.664 910 1HB GLU 81 1HB GLU 81 -0.372 4.183 -13.175 911 2HB GLU 81 2HB GLU 81 0.829 3.303 -14.107 912 1HG GLU 81 1HG GLU 81 -0.851 2.686 -15.736 913 2HG GLU 81 2HG GLU 81 -2.091 3.507 -14.788 914 H ALA 82 H ALA 82 -1.003 2.770 -10.640 915 HA ALA 82 HA ALA 82 1.678 2.831 -9.676 916 1HB ALA 82 1HB ALA 82 -0.913 2.879 -8.132 917 2HB ALA 82 2HB ALA 82 -0.079 4.290 -8.784 918 3HB ALA 82 3HB ALA 82 0.677 3.327 -7.514 919 H VAL 83 H VAL 83 -0.805 0.436 -9.841 920 HA VAL 83 HA VAL 83 0.322 -1.299 -7.838 921 HB VAL 83 HB VAL 83 -1.688 -1.976 -9.994 922 1HG1 VAL 83 1HG1 VAL 83 -0.626 -3.937 -9.019 923 2HG1 VAL 83 2HG1 VAL 83 -2.312 -3.825 -8.514 924 3HG1 VAL 83 3HG1 VAL 83 -1.025 -3.364 -7.399 925 1HG2 VAL 83 1HG2 VAL 83 -2.501 -0.150 -8.615 926 2HG2 VAL 83 2HG2 VAL 83 -2.162 -1.085 -7.160 927 3HG2 VAL 83 3HG2 VAL 83 -3.399 -1.632 -8.291 928 H ARG 84 H ARG 84 2.336 -2.033 -8.299 929 HA ARG 84 HA ARG 84 2.914 -3.077 -10.944 930 1HB ARG 84 1HB ARG 84 4.607 -3.248 -8.442 931 2HB ARG 84 2HB ARG 84 5.132 -3.567 -10.089 932 1HG ARG 84 1HG ARG 84 4.542 -1.149 -10.590 933 2HG ARG 84 2HG ARG 84 4.418 -0.930 -8.843 934 1HD ARG 84 1HD ARG 84 6.737 -1.840 -8.650 935 2HD ARG 84 2HD ARG 84 6.835 -1.818 -10.408 936 HE ARG 84 HE ARG 84 6.890 0.467 -8.610 937 1HH1 ARG 84 1HH1 ARG 84 6.634 -0.675 -11.903 938 2HH1 ARG 84 2HH1 ARG 84 7.241 0.789 -12.611 939 1HH2 ARG 84 1HH2 ARG 84 7.697 2.413 -9.530 940 2HH2 ARG 84 2HH2 ARG 84 7.872 2.541 -11.254 941 H ALA 85 H ALA 85 1.335 -4.665 -11.087 942 HA ALA 85 HA ALA 85 0.693 -6.476 -9.030 943 1HB ALA 85 1HB ALA 85 0.129 -6.725 -11.974 944 2HB ALA 85 2HB ALA 85 -0.850 -5.832 -10.811 945 3HB ALA 85 3HB ALA 85 -0.692 -7.583 -10.671 946 H ASP 86 H ASP 86 3.415 -6.505 -10.970 947 HA ASP 86 HA ASP 86 3.773 -9.278 -11.373 948 1HB ASP 86 1HB ASP 86 5.131 -7.484 -12.472 949 2HB ASP 86 2HB ASP 86 5.920 -7.188 -10.926 950 H ARG 87 H ARG 87 6.116 -7.711 -9.338 951 HA ARG 87 HA ARG 87 5.045 -8.654 -6.853 952 1HB ARG 87 1HB ARG 87 6.135 -10.700 -7.897 953 2HB ARG 87 2HB ARG 87 7.668 -9.854 -7.776 954 1HG ARG 87 1HG ARG 87 7.435 -11.393 -5.941 955 2HG ARG 87 2HG ARG 87 7.391 -9.738 -5.333 956 1HD ARG 87 1HD ARG 87 5.705 -11.065 -4.218 957 2HD ARG 87 2HD ARG 87 4.931 -9.857 -5.241 958 HE ARG 87 HE ARG 87 5.041 -12.045 -6.847 959 1HH1 ARG 87 1HH1 ARG 87 3.882 -11.563 -3.576 960 2HH1 ARG 87 2HH1 ARG 87 2.597 -12.722 -3.717 961 1HH2 ARG 87 1HH2 ARG 87 3.380 -13.614 -7.025 962 2HH2 ARG 87 2HH2 ARG 87 2.322 -13.902 -5.673 963 H MET 88 H MET 88 5.924 -6.189 -8.155 964 HA MET 88 HA MET 88 8.415 -5.489 -6.821 965 1HB MET 88 1HB MET 88 6.696 -4.112 -8.862 966 2HB MET 88 2HB MET 88 7.950 -3.239 -7.992 967 1HG MET 88 1HG MET 88 8.398 -5.708 -9.641 968 2HG MET 88 2HG MET 88 8.680 -4.057 -10.193 969 1HE MET 88 1HE MET 88 10.973 -6.060 -10.515 970 2HE MET 88 2HE MET 88 12.345 -5.210 -9.804 971 3HE MET 88 3HE MET 88 11.185 -4.332 -10.802 972 H ARG 89 H ARG 89 8.408 -4.707 -4.880 973 HA ARG 89 HA ARG 89 5.866 -3.997 -3.651 974 1HB ARG 89 1HB ARG 89 8.578 -4.495 -2.403 975 2HB ARG 89 2HB ARG 89 7.043 -4.376 -1.548 976 1HG ARG 89 1HG ARG 89 6.245 -6.390 -2.534 977 2HG ARG 89 2HG ARG 89 7.609 -6.454 -3.647 978 1HD ARG 89 1HD ARG 89 7.997 -8.046 -1.917 979 2HD ARG 89 2HD ARG 89 9.113 -6.704 -1.678 980 HE ARG 89 HE ARG 89 7.604 -5.935 0.107 981 1HH1 ARG 89 1HH1 ARG 89 7.283 -9.242 -0.993 982 2HH1 ARG 89 2HH1 ARG 89 6.719 -9.831 0.539 983 1HH2 ARG 89 1HH2 ARG 89 6.871 -6.721 2.139 984 2HH2 ARG 89 2HH2 ARG 89 6.487 -8.406 2.323 985 H GLY 90 H GLY 90 7.006 -2.066 -5.402 986 1HA GLY 90 1HA GLY 90 6.961 0.214 -3.652 987 2HA GLY 90 2HA GLY 90 8.532 -0.048 -4.397 988 H GLY 91 H GLY 91 5.414 1.250 -4.796 989 1HA GLY 91 1HA GLY 91 5.677 1.406 -7.712 990 2HA GLY 91 2HA GLY 91 4.250 1.825 -6.778 991 H ARG 92 H ARG 92 7.574 2.932 -6.258 992 HA ARG 92 HA ARG 92 6.606 5.667 -6.239 993 1HB ARG 92 1HB ARG 92 9.437 4.704 -5.828 994 2HB ARG 92 2HB ARG 92 8.772 6.270 -5.386 995 1HG ARG 92 1HG ARG 92 7.302 5.154 -3.754 996 2HG ARG 92 2HG ARG 92 8.064 3.614 -4.162 997 1HD ARG 92 1HD ARG 92 9.205 4.314 -2.255 998 2HD ARG 92 2HD ARG 92 10.272 4.772 -3.581 999 HE ARG 92 HE ARG 92 8.464 6.691 -2.259 1000 1HH1 ARG 92 1HH1 ARG 92 11.588 5.843 -3.597 1001 2HH1 ARG 92 2HH1 ARG 92 12.324 7.354 -3.170 1002 1HH2 ARG 92 1HH2 ARG 92 9.434 8.688 -1.695 1003 2HH2 ARG 92 2HH2 ARG 92 11.095 8.978 -2.095 1004 H ASN 93 H ASN 93 8.308 7.277 -7.204 1005 HA ASN 93 HA ASN 93 9.325 8.251 -8.966 1006 1HB ASN 93 1HB ASN 93 10.757 6.201 -9.037 1007 2HB ASN 93 2HB ASN 93 9.630 5.514 -10.206 1008 1HD2 ASN 93 1HD2 ASN 93 11.145 5.418 -11.846 1009 2HD2 ASN 93 2HD2 ASN 93 11.751 6.830 -12.636 1010 H LYS 94 H LYS 94 7.224 5.613 -10.140 1011 HA LYS 94 HA LYS 94 6.439 6.785 -12.537 1012 1HB LYS 94 1HB LYS 94 5.947 4.454 -11.931 1013 2HB LYS 94 2HB LYS 94 4.806 5.007 -10.712 1014 1HG LYS 94 1HG LYS 94 3.637 4.261 -12.692 1015 2HG LYS 94 2HG LYS 94 3.417 5.998 -12.471 1016 1HD LYS 94 1HD LYS 94 5.188 6.412 -14.130 1017 2HD LYS 94 2HD LYS 94 5.352 4.672 -14.371 1018 1HE LYS 94 1HE LYS 94 3.984 5.619 -16.127 1019 2HE LYS 94 2HE LYS 94 3.001 4.576 -15.100 1020 1HZ LYS 94 1HZ LYS 94 3.119 7.543 -14.949 1021 2HZ LYS 94 2HZ LYS 94 2.172 6.541 -13.970 1022 3HZ LYS 94 3HZ LYS 94 1.856 6.636 -15.628 1023 H PHE 95 H PHE 95 4.818 6.972 -9.372 1024 HA PHE 95 HA PHE 95 3.595 9.491 -10.288 1025 1HB PHE 95 1HB PHE 95 2.555 7.481 -8.281 1026 2HB PHE 95 2HB PHE 95 1.852 9.075 -8.523 1027 HD1 PHE 95 HD1 PHE 95 0.935 9.649 -10.805 1028 HD2 PHE 95 HD2 PHE 95 1.956 5.682 -9.651 1029 HE1 PHE 95 HE1 PHE 95 -0.465 8.763 -12.625 1030 HE2 PHE 95 HE2 PHE 95 0.558 4.789 -11.469 1031 HZ PHE 95 HZ PHE 95 -0.653 6.331 -12.958 1032 H GLY 96 H GLY 96 6.174 8.635 -8.873 1033 1HA GLY 96 1HA GLY 96 6.273 9.453 -6.231 1034 2HA GLY 96 2HA GLY 96 7.617 9.553 -7.353 1035 HA PRO 97 HA PRO 97 7.478 13.980 -7.900 1036 1HB PRO 97 1HB PRO 97 5.521 13.946 -10.149 1037 2HB PRO 97 2HB PRO 97 7.080 14.768 -10.023 1038 1HG PRO 97 1HG PRO 97 6.815 12.546 -11.472 1039 2HG PRO 97 2HG PRO 97 8.280 12.855 -10.522 1040 1HD PRO 97 1HD PRO 97 6.036 10.974 -9.983 1041 2HD PRO 97 2HD PRO 97 7.760 10.829 -9.587 1042 H MET 98 H MET 98 4.160 12.711 -8.415 1043 HA MET 98 HA MET 98 2.989 15.139 -7.442 1044 1HB MET 98 1HB MET 98 0.841 14.015 -7.614 1045 2HB MET 98 2HB MET 98 1.787 13.747 -9.069 1046 1HG MET 98 1HG MET 98 2.359 11.512 -8.287 1047 2HG MET 98 2HG MET 98 1.433 11.791 -6.814 1048 1HE MET 98 1HE MET 98 -1.152 13.248 -7.688 1049 2HE MET 98 2HE MET 98 -1.149 11.822 -6.650 1050 3HE MET 98 3HE MET 98 -2.227 11.897 -8.044 1051 H TYR 99 H TYR 99 3.937 12.099 -6.023 1052 HA TYR 99 HA TYR 99 2.483 12.363 -3.602 1053 1HB TYR 99 1HB TYR 99 5.027 10.844 -4.209 1054 2HB TYR 99 2HB TYR 99 4.131 10.713 -2.700 1055 HD1 TYR 99 HD1 TYR 99 1.342 10.669 -3.723 1056 HD2 TYR 99 HD2 TYR 99 4.842 8.718 -5.152 1057 HE1 TYR 99 HE1 TYR 99 -0.052 8.892 -4.690 1058 HE2 TYR 99 HE2 TYR 99 3.455 6.933 -6.120 1059 HH TYR 99 HH TYR 99 0.154 7.211 -6.556 1060 H LYS 100 H LYS 100 5.821 13.182 -4.505 1061 HA LYS 100 HA LYS 100 6.456 14.237 -1.936 1062 1HB LYS 100 1HB LYS 100 8.464 15.177 -3.062 1063 2HB LYS 100 2HB LYS 100 8.263 13.445 -3.296 1064 1HG LYS 100 1HG LYS 100 7.285 13.933 -5.530 1065 2HG LYS 100 2HG LYS 100 7.677 15.633 -5.275 1066 1HD LYS 100 1HD LYS 100 9.668 13.364 -5.273 1067 2HD LYS 100 2HD LYS 100 9.376 14.461 -6.624 1068 1HE LYS 100 1HE LYS 100 10.299 15.319 -3.884 1069 2HE LYS 100 2HE LYS 100 11.368 15.052 -5.260 1070 1HZ LYS 100 1HZ LYS 100 9.224 17.099 -5.034 1071 2HZ LYS 100 2HZ LYS 100 10.083 16.775 -6.459 1072 3HZ LYS 100 3HZ LYS 100 10.899 17.365 -5.095 1073 H ARG 101 H ARG 101 5.123 15.588 -4.875 1074 HA ARG 101 HA ARG 101 5.544 18.296 -4.191 1075 1HB ARG 101 1HB ARG 101 4.982 17.548 -6.488 1076 2HB ARG 101 2HB ARG 101 3.361 17.138 -5.937 1077 1HG ARG 101 1HG ARG 101 3.041 19.512 -5.293 1078 2HG ARG 101 2HG ARG 101 4.608 19.875 -6.015 1079 1HD ARG 101 1HD ARG 101 3.763 18.986 -8.168 1080 2HD ARG 101 2HD ARG 101 2.179 18.774 -7.420 1081 HE ARG 101 HE ARG 101 3.349 21.443 -7.322 1082 1HH1 ARG 101 1HH1 ARG 101 1.013 19.257 -8.753 1083 2HH1 ARG 101 2HH1 ARG 101 0.155 20.525 -9.579 1084 1HH2 ARG 101 1HH2 ARG 101 2.193 23.112 -8.379 1085 2HH2 ARG 101 2HH2 ARG 101 0.815 22.706 -9.357 1086 H ASP 102 H ASP 102 2.794 16.099 -3.758 1087 HA ASP 102 HA ASP 102 1.087 17.960 -2.498 1088 1HB ASP 102 1HB ASP 102 0.292 15.821 -3.443 1089 2HB ASP 102 2HB ASP 102 1.160 14.950 -2.181 1090 H ARG 103 H ARG 103 3.477 15.684 -1.266 1091 HA ARG 103 HA ARG 103 3.124 16.091 1.473 1092 1HB ARG 103 1HB ARG 103 4.593 14.356 0.518 1093 2HB ARG 103 2HB ARG 103 5.703 15.602 -0.036 1094 1HG ARG 103 1HG ARG 103 6.619 14.689 1.939 1095 2HG ARG 103 2HG ARG 103 5.985 16.280 2.362 1096 1HD ARG 103 1HD ARG 103 5.370 14.742 4.092 1097 2HD ARG 103 2HD ARG 103 3.916 15.164 3.184 1098 HE ARG 103 HE ARG 103 3.921 13.009 2.218 1099 1HH1 ARG 103 1HH1 ARG 103 6.414 13.475 4.623 1100 2HH1 ARG 103 2HH1 ARG 103 6.725 11.778 4.831 1101 1HH2 ARG 103 1HH2 ARG 103 4.312 10.750 2.496 1102 2HH2 ARG 103 2HH2 ARG 103 5.519 10.228 3.623 1103 H ALA 104 H ALA 104 5.073 17.859 -0.886 1104 HA ALA 104 HA ALA 104 6.185 19.703 0.960 1105 1HB ALA 104 1HB ALA 104 5.836 19.973 -2.024 1106 2HB ALA 104 2HB ALA 104 7.209 19.221 -1.210 1107 3HB ALA 104 3HB ALA 104 6.900 20.945 -1.008 1108 H LEU 105 H LEU 105 3.164 19.555 -0.732 1109 HA LEU 105 HA LEU 105 2.479 22.311 -0.328 1110 1HB LEU 105 1HB LEU 105 0.808 19.905 -1.043 1111 2HB LEU 105 2HB LEU 105 0.179 21.539 -0.956 1112 HG LEU 105 HG LEU 105 2.392 20.687 -2.824 1113 1HD1 LEU 105 1HD1 LEU 105 0.321 19.526 -3.373 1114 2HD1 LEU 105 2HD1 LEU 105 0.698 20.755 -4.582 1115 3HD1 LEU 105 3HD1 LEU 105 -0.550 21.059 -3.373 1116 1HD2 LEU 105 1HD2 LEU 105 0.697 23.180 -2.698 1117 2HD2 LEU 105 2HD2 LEU 105 1.899 22.810 -3.935 1118 3HD2 LEU 105 3HD2 LEU 105 2.401 23.060 -2.263 1119 H LYS 106 H LYS 106 1.640 19.245 1.239 1120 HA LYS 106 HA LYS 106 -0.101 20.379 3.161 1121 1HB LYS 106 1HB LYS 106 1.367 17.756 3.060 1122 2HB LYS 106 2HB LYS 106 0.276 18.187 4.371 1123 1HG LYS 106 1HG LYS 106 -1.559 18.411 2.805 1124 2HG LYS 106 2HG LYS 106 -0.474 18.044 1.462 1125 1HD LYS 106 1HD LYS 106 -0.073 15.833 2.342 1126 2HD LYS 106 2HD LYS 106 -1.046 16.196 3.769 1127 1HE LYS 106 1HE LYS 106 -2.125 16.289 0.963 1128 2HE LYS 106 2HE LYS 106 -2.190 14.848 1.971 1129 1HZ LYS 106 1HZ LYS 106 -3.533 16.006 3.565 1130 2HZ LYS 106 2HZ LYS 106 -4.242 16.193 2.034 1131 3HZ LYS 106 3HZ LYS 106 -3.367 17.471 2.723 1132 H GLN 107 H GLN 107 3.321 19.398 3.362 1133 HA GLN 107 HA GLN 107 3.535 20.305 6.077 1134 1HB GLN 107 1HB GLN 107 5.706 19.609 4.090 1135 2HB GLN 107 2HB GLN 107 5.963 19.917 5.801 1136 1HG GLN 107 1HG GLN 107 4.365 17.995 6.237 1137 2HG GLN 107 2HG GLN 107 4.518 17.618 4.521 1138 1HE2 GLN 107 1HE2 GLN 107 7.090 18.893 6.521 1139 2HE2 GLN 107 2HE2 GLN 107 8.087 17.479 6.480 1140 H GLN 108 H GLN 108 4.657 21.509 2.943 1141 HA GLN 108 HA GLN 108 5.233 23.540 2.165 1142 1HB GLN 108 1HB GLN 108 3.000 24.180 2.924 1143 2HB GLN 108 2HB GLN 108 3.634 24.558 4.519 1144 1HG GLN 108 1HG GLN 108 5.028 26.320 3.526 1145 2HG GLN 108 2HG GLN 108 4.343 25.952 1.946 1146 1HE2 GLN 108 1HE2 GLN 108 1.689 25.441 3.058 1147 2HE2 GLN 108 2HE2 GLN 108 1.027 26.990 3.442 1148 H LYS 109 H LYS 109 5.265 24.428 5.606 1149 HA LYS 109 HA LYS 109 8.097 25.151 5.288 1150 1HB LYS 109 1HB LYS 109 6.493 26.974 5.899 1151 2HB LYS 109 2HB LYS 109 6.121 26.100 7.377 1152 1HG LYS 109 1HG LYS 109 8.451 26.340 8.098 1153 2HG LYS 109 2HG LYS 109 8.808 27.236 6.617 1154 1HD LYS 109 1HD LYS 109 7.059 28.886 7.278 1155 2HD LYS 109 2HD LYS 109 6.898 28.033 8.812 1156 1HE LYS 109 1HE LYS 109 9.435 29.296 7.780 1157 2HE LYS 109 2HE LYS 109 8.348 30.025 8.959 1158 1HZ LYS 109 1HZ LYS 109 8.771 28.064 10.400 1159 2HZ LYS 109 2HZ LYS 109 10.145 29.013 10.110 1160 3HZ LYS 109 3HZ LYS 109 9.949 27.545 9.292 1161 H LYS 110 H LYS 110 9.104 23.251 5.787 1162 HA LYS 110 HA LYS 110 8.233 21.778 8.142 1163 1HB LYS 110 1HB LYS 110 9.697 20.010 7.452 1164 2HB LYS 110 2HB LYS 110 8.766 20.536 6.060 1165 1HG LYS 110 1HG LYS 110 11.573 21.469 6.596 1166 2HG LYS 110 2HG LYS 110 11.203 20.017 5.669 1167 1HD LYS 110 1HD LYS 110 9.825 21.449 4.146 1168 2HD LYS 110 2HD LYS 110 10.443 22.858 5.012 1169 1HE LYS 110 1HE LYS 110 12.119 20.808 3.565 1170 2HE LYS 110 2HE LYS 110 11.701 22.404 2.948 1171 1HZ LYS 110 1HZ LYS 110 13.299 21.865 5.397 1172 2HZ LYS 110 2HZ LYS 110 12.911 23.399 4.784 1173 3HZ LYS 110 3HZ LYS 110 13.918 22.363 3.898 1174 H ALA 111 H ALA 111 10.414 24.191 7.389 1175 HA ALA 111 HA ALA 111 12.109 23.505 9.685 1176 1HB ALA 111 1HB ALA 111 12.670 25.418 7.416 1177 2HB ALA 111 2HB ALA 111 13.346 23.798 7.595 1178 3HB ALA 111 3HB ALA 111 13.758 25.060 8.757 Start of MODEL 14 1 1H5* G 1 1H5* G 1 29.358 3.906 -1.784 2 2H5* G 1 2H5* G 1 28.533 2.347 -1.594 3 H4* G 1 H4* G 1 28.874 4.062 0.402 4 H3* G 1 H3* G 1 27.568 1.740 0.314 5 H1* G 1 H1* G 1 25.469 4.975 1.048 6 H8 G 1 H8 G 1 24.807 3.343 -2.346 7 H1 G 1 H1 G 1 22.179 9.149 -1.562 8 1H2 G 1 1H2 G 1 22.878 10.048 0.320 9 2H2 G 1 2H2 G 1 23.993 9.227 1.391 10 H5T G 1 H5T G 1 26.818 4.416 -2.094 11 1H2* G 1 1H2* G 1 25.516 2.475 -0.678 12 2H2* G 1 2H2* G 1 25.112 2.633 1.026 13 1H5* G 2 1H5* G 2 26.171 4.860 2.937 14 2H5* G 2 2H5* G 2 26.173 4.486 4.673 15 H4* G 2 H4* G 2 24.471 6.009 4.499 16 H3* G 2 H3* G 2 23.621 3.407 5.073 17 H1* G 2 H1* G 2 21.860 6.065 2.972 18 H8 G 2 H8 G 2 22.715 2.925 0.864 19 H1 G 2 H1 G 2 19.092 7.372 -2.027 20 1H2 G 2 1H2 G 2 18.851 9.122 -0.705 21 2H2 G 2 2H2 G 2 19.577 9.199 0.885 22 1H2* G 2 1H2* G 2 22.369 3.046 3.094 23 2H2* G 2 2H2* G 2 21.169 3.976 3.980 24 1H5* C 3 1H5* C 3 21.490 7.154 5.504 25 2H5* C 3 2H5* C 3 21.437 7.456 7.254 26 H4* C 3 H4* C 3 19.994 9.050 6.533 27 H3* C 3 H3* C 3 18.689 7.168 7.904 28 H1* C 3 H1* C 3 17.320 8.040 4.273 29 1H4 C 3 1H4 C 3 18.249 3.563 -0.092 30 2H4 C 3 2H4 C 3 19.185 2.585 1.016 31 H5 C 3 H5 C 3 19.695 3.278 3.274 32 H6 C 3 H6 C 3 19.402 5.040 4.933 33 1H2* C 3 1H2* C 3 17.924 5.757 6.153 34 2H2* C 3 2H2* C 3 16.586 6.898 6.174 35 1H5* T 4 1H5* T 4 16.528 9.737 5.649 36 2H5* T 4 2H5* T 4 15.467 11.039 6.221 37 H4* T 4 H4* T 4 14.424 10.603 4.286 38 H3* T 4 H3* T 4 13.053 9.330 6.392 39 1H2* T 4 1H2* T 4 13.254 7.112 5.614 40 2H2* T 4 2H2* T 4 11.992 7.613 4.498 41 H1* T 4 H1* T 4 13.554 8.173 2.759 42 H3 T 4 H3 T 4 14.706 4.227 1.019 43 1H5M T 4 1H5M T 4 17.062 4.296 5.737 44 2H5M T 4 2H5M T 4 15.575 3.351 5.996 45 3H5M T 4 3H5M T 4 16.791 2.792 4.822 46 H6 T 4 H6 T 4 15.272 6.144 5.349 47 1H5* C 5 1H5* C 5 11.448 10.058 2.122 48 2H5* C 5 2H5* C 5 9.796 10.700 2.260 49 H4* C 5 H4* C 5 10.024 9.541 0.180 50 H3* C 5 H3* C 5 7.921 9.045 1.813 51 H1* C 5 H1* C 5 9.858 6.206 0.109 52 1H4 C 5 1H4 C 5 13.022 1.831 3.383 53 2H4 C 5 2H4 C 5 12.962 2.776 4.857 54 H5 C 5 H5 C 5 11.921 4.965 4.973 55 H6 C 5 H6 C 5 10.722 6.673 3.709 56 1H2* C 5 1H2* C 5 8.751 7.040 2.834 57 2H2* C 5 2H2* C 5 7.874 6.368 1.467 58 1H5* A 6 1H5* A 6 6.792 7.338 -2.663 59 2H5* A 6 2H5* A 6 5.083 7.778 -2.852 60 H4* A 6 H4* A 6 5.430 5.540 -3.613 61 H3* A 6 H3* A 6 3.470 6.133 -1.707 62 H1* A 6 H1* A 6 5.651 2.967 -1.955 63 H8 A 6 H8 A 6 6.525 5.091 1.182 64 1H6 A 6 1H6 A 6 9.457 0.032 3.179 65 2H6 A 6 2H6 A 6 9.038 1.692 3.538 66 H2 A 6 H2 A 6 7.665 -0.897 -0.837 67 1H2* A 6 1H2* A 6 4.341 4.847 0.074 68 2H2* A 6 2H2* A 6 3.604 3.526 -0.825 69 1H5* G 7 1H5* G 7 4.036 2.509 -4.669 70 2H5* G 7 2H5* G 7 2.377 2.168 -5.203 71 H4* G 7 H4* G 7 4.000 0.322 -5.579 72 H3* G 7 H3* G 7 1.394 0.021 -4.979 73 H1* G 7 H1* G 7 4.090 -1.932 -2.988 74 H8 G 7 H8 G 7 2.764 1.159 -1.046 75 H1 G 7 H1 G 7 6.297 -3.015 2.322 76 1H2 G 7 1H2 G 7 6.963 -4.658 1.013 77 2H2 G 7 2H2 G 7 6.538 -4.727 -0.681 78 1H2* G 7 1H2* G 7 1.589 -0.226 -2.605 79 2H2* G 7 2H2* G 7 1.702 -1.909 -3.105 80 1H5* G 8 1H5* G 8 4.688 -4.532 -5.205 81 2H5* G 8 2H5* G 8 3.302 -4.964 -6.233 82 H4* G 8 H4* G 8 4.247 -6.875 -4.980 83 H3* G 8 H3* G 8 1.641 -6.526 -5.490 84 H1* G 8 H1* G 8 2.754 -7.207 -1.833 85 H8 G 8 H8 G 8 1.225 -3.762 -2.356 86 H1 G 8 H1 G 8 3.928 -4.669 3.396 87 1H2 G 8 1H2 G 8 5.085 -6.546 3.401 88 2H2 G 8 2H2 G 8 5.188 -7.582 1.996 89 1H2* G 8 1H2* G 8 1.039 -5.328 -3.514 90 2H2* G 8 2H2* G 8 0.685 -6.975 -3.011 91 1H5* G 9 1H5* G 9 3.976 -8.016 -2.066 92 2H5* G 9 2H5* G 9 4.048 -9.355 -3.231 93 H4* G 9 H4* G 9 5.311 -10.173 -1.510 94 H3* G 9 H3* G 9 3.112 -11.613 -1.900 95 H1* G 9 H1* G 9 3.653 -10.196 1.805 96 H8 G 9 H8 G 9 1.288 -8.361 -0.642 97 H1 G 9 H1 G 9 1.330 -6.176 5.394 98 1H2 G 9 1H2 G 9 2.803 -7.301 6.592 99 2H2 G 9 2H2 G 9 3.774 -8.586 5.907 100 1H2* G 9 1H2* G 9 1.602 -10.630 -0.353 101 2H2* G 9 2H2* G 9 2.353 -11.796 0.729 102 1H5* C 10 1H5* C 10 4.191 -11.514 1.860 103 2H5* C 10 2H5* C 10 5.055 -12.898 2.558 104 H4* C 10 H4* C 10 4.036 -12.260 4.430 105 H3* C 10 H3* C 10 2.457 -14.288 3.263 106 H1* C 10 H1* C 10 1.403 -11.187 5.262 107 1H4 C 10 1H4 C 10 -3.044 -7.274 3.005 108 2H4 C 10 2H4 C 10 -2.995 -8.021 1.425 109 H5 C 10 H5 C 10 -1.502 -9.844 0.876 110 H6 C 10 H6 C 10 0.238 -11.323 1.731 111 1H2* C 10 1H2* C 10 0.490 -13.012 2.977 112 2H2* C 10 2H2* C 10 0.325 -13.274 4.707 113 1H5* C 11 1H5* C 11 2.229 -12.185 7.294 114 2H5* C 11 2H5* C 11 2.868 -13.579 8.189 115 H4* C 11 H4* C 11 2.117 -12.230 9.878 116 H3* C 11 H3* C 11 0.788 -14.547 9.737 117 H1* C 11 H1* C 11 -1.378 -11.203 9.775 118 1H4 C 11 1H4 C 11 -4.259 -9.918 4.296 119 2H4 C 11 2H4 C 11 -3.487 -11.270 3.497 120 H5 C 11 H5 C 11 -1.871 -12.706 4.602 121 H6 C 11 H6 C 11 -0.691 -13.137 6.686 122 1H2* C 11 1H2* C 11 -1.138 -13.928 8.513 123 2H2* C 11 2H2* C 11 -1.710 -13.485 10.114 124 1H5* A 12 1H5* A 12 -0.762 -11.144 13.085 125 2H5* A 12 2H5* A 12 -0.907 -12.279 14.442 126 H4* A 12 H4* A 12 -2.481 -10.493 14.716 127 H3* A 12 H3* A 12 -3.245 -13.037 15.060 128 H1* A 12 H1* A 12 -5.385 -10.709 12.824 129 H8 A 12 H8 A 12 -3.132 -13.085 10.728 130 1H6 A 12 1H6 A 12 -6.547 -11.194 5.923 131 2H6 A 12 2H6 A 12 -5.244 -12.243 6.435 132 H2 A 12 H2 A 12 -7.942 -8.993 9.577 133 1H2* A 12 1H2* A 12 -4.066 -13.462 12.841 134 2H2* A 12 2H2* A 12 -5.542 -12.955 13.652 135 1H5* C 13 1H5* C 13 -6.016 -9.869 15.313 136 2H5* C 13 2H5* C 13 -6.872 -9.458 16.813 137 H4* C 13 H4* C 13 -8.213 -8.572 15.161 138 H3* C 13 H3* C 13 -9.324 -10.716 16.576 139 H1* C 13 H1* C 13 -9.796 -9.793 12.896 140 1H4 C 13 1H4 C 13 -8.999 -14.105 8.331 141 2H4 C 13 2H4 C 13 -8.006 -15.119 9.358 142 H5 C 13 H5 C 13 -7.454 -14.532 11.648 143 H6 C 13 H6 C 13 -7.772 -12.877 13.412 144 1H2* C 13 1H2* C 13 -9.532 -12.215 14.753 145 2H2* C 13 2H2* C 13 -10.966 -11.247 14.438 146 1H5* A 14 1H5* A 14 -11.404 -7.584 14.036 147 2H5* A 14 2H5* A 14 -12.551 -6.848 15.173 148 H4* A 14 H4* A 14 -13.196 -6.171 13.012 149 H3* A 14 H3* A 14 -15.076 -7.236 14.553 150 H1* A 14 H1* A 14 -14.639 -8.745 10.971 151 H8 A 14 H8 A 14 -12.764 -10.708 13.742 152 1H6 A 14 1H6 A 14 -12.082 -15.115 9.443 153 2H6 A 14 2H6 A 14 -11.755 -14.663 11.101 154 H2 A 14 H2 A 14 -14.300 -11.682 7.587 155 1H2* A 14 1H2* A 14 -14.816 -9.540 13.904 156 2H2* A 14 2H2* A 14 -16.109 -9.030 12.825 157 1H5* G 15 1H5* G 15 -16.157 -5.358 10.555 158 2H5* G 15 2H5* G 15 -17.721 -4.520 10.506 159 H4* G 15 H4* G 15 -17.102 -5.267 8.306 160 H3* G 15 H3* G 15 -19.589 -5.586 9.219 161 H1* G 15 H1* G 15 -17.771 -8.699 7.710 162 H8 G 15 H8 G 15 -17.407 -8.464 11.567 163 H1 G 15 H1 G 15 -16.344 -14.238 8.970 164 1H2 G 15 1H2 G 15 -16.636 -14.152 6.787 165 2H2 G 15 2H2 G 15 -17.091 -12.677 5.964 166 H3T G 15 H3T G 15 -20.069 -5.758 7.157 167 1H2* G 15 1H2* G 15 -19.392 -7.793 10.117 168 2H2* G 15 2H2* G 15 -19.949 -8.168 8.492 169 1H5* C 16 1H5* C 16 -17.241 -22.056 6.663 170 2H5* C 16 2H5* C 16 -15.694 -22.683 6.068 171 H4* C 16 H4* C 16 -16.814 -20.995 4.612 172 H3* C 16 H3* C 16 -14.164 -21.369 4.848 173 H1* C 16 H1* C 16 -15.644 -17.781 5.281 174 1H4 C 16 1H4 C 16 -15.407 -15.055 10.992 175 2H4 C 16 2H4 C 16 -14.763 -16.506 11.725 176 H5 C 16 H5 C 16 -14.407 -18.552 10.498 177 H6 C 16 H6 C 16 -14.576 -19.627 8.317 178 H5T C 16 H5T C 16 -16.227 -21.473 8.382 179 1H2* C 16 1H2* C 16 -13.689 -19.748 6.539 180 2H2* C 16 2H2* C 16 -13.479 -18.756 5.103 181 1H5* T 17 1H5* T 17 -15.175 -18.689 0.798 182 2H5* T 17 2H5* T 17 -13.766 -17.895 0.065 183 H4* T 17 H4* T 17 -15.919 -16.576 0.884 184 H3* T 17 H3* T 17 -13.504 -15.729 -0.034 185 1H2* T 17 1H2* T 17 -12.393 -15.581 2.091 186 2H2* T 17 2H2* T 17 -13.048 -13.956 1.951 187 H1* T 17 H1* T 17 -15.014 -14.507 3.253 188 H3 T 17 H3 T 17 -13.375 -14.189 7.380 189 1H5M T 17 1H5M T 17 -10.602 -17.822 6.833 190 2H5M T 17 2H5M T 17 -10.811 -18.293 5.129 191 3H5M T 17 3H5M T 17 -11.940 -18.896 6.365 192 H6 T 17 H6 T 17 -12.672 -17.315 3.847 193 1H5* G 18 1H5* G 18 -15.836 -12.188 2.883 194 2H5* G 18 2H5* G 18 -16.415 -11.707 1.274 195 H4* G 18 H4* G 18 -16.323 -9.670 2.220 196 H3* G 18 H3* G 18 -14.305 -9.941 0.460 197 H1* G 18 H1* G 18 -13.323 -8.835 4.223 198 H8 G 18 H8 G 18 -12.598 -12.322 2.744 199 H1 G 18 H1 G 18 -10.596 -11.360 8.768 200 1H2 G 18 1H2 G 18 -11.286 -9.396 9.491 201 2H2 G 18 2H2 G 18 -12.238 -8.318 8.494 202 1H2* G 18 1H2* G 18 -12.426 -10.324 1.804 203 2H2* G 18 2H2* G 18 -12.499 -8.593 2.102 204 1H5* T 19 1H5* T 19 -14.265 -7.885 3.629 205 2H5* T 19 2H5* T 19 -15.114 -6.338 3.426 206 H4* T 19 H4* T 19 -14.339 -6.020 5.508 207 H3* T 19 H3* T 19 -12.846 -4.562 3.720 208 1H2* T 19 1H2* T 19 -10.828 -5.809 3.793 209 2H2* T 19 2H2* T 19 -10.571 -4.818 5.222 210 H1* T 19 H1* T 19 -11.329 -6.511 6.719 211 H3 T 19 H3 T 19 -8.073 -9.543 6.861 212 1H5M T 19 1H5M T 19 -8.714 -10.906 2.552 213 2H5M T 19 2H5M T 19 -10.326 -10.267 2.151 214 3H5M T 19 3H5M T 19 -8.874 -9.298 1.805 215 H6 T 19 H6 T 19 -10.962 -8.059 3.373 216 1H5* G 20 1H5* G 20 -11.957 -3.748 7.789 217 2H5* G 20 2H5* G 20 -11.952 -2.108 8.468 218 H4* G 20 H4* G 20 -10.048 -2.953 9.368 219 H3* G 20 H3* G 20 -9.501 -1.137 7.274 220 H1* G 20 H1* G 20 -7.608 -4.228 8.438 221 H8 G 20 H8 G 20 -8.870 -4.718 4.789 222 H1 G 20 H1 G 20 -4.502 -8.923 6.906 223 1H2 G 20 1H2 G 20 -3.978 -8.467 9.005 224 2H2 G 20 2H2 G 20 -4.711 -7.140 9.878 225 1H2* G 20 1H2* G 20 -8.284 -2.637 5.907 226 2H2* G 20 2H2* G 20 -7.011 -2.314 7.076 227 1H5* G 21 1H5* G 21 -6.830 -2.563 10.364 228 2H5* G 21 2H5* G 21 -6.696 -1.218 11.514 229 H4* G 21 H4* G 21 -4.975 -2.419 12.274 230 H3* G 21 H3* G 21 -3.975 -0.351 10.863 231 H1* G 21 H1* G 21 -2.626 -3.979 10.225 232 H8 G 21 H8 G 21 -5.248 -2.762 7.640 233 H1 G 21 H1 G 21 -1.616 -7.739 5.827 234 1H2 G 21 1H2 G 21 -0.226 -8.291 7.443 235 2H2 G 21 2H2 G 21 -0.183 -7.440 8.973 236 1H2* G 21 1H2* G 21 -3.513 -1.443 8.801 237 2H2* G 21 2H2* G 21 -2.001 -1.775 9.634 238 1H5* C 22 1H5* C 22 -1.640 -4.523 11.486 239 2H5* C 22 2H5* C 22 -1.227 -3.668 12.987 240 H4* C 22 H4* C 22 0.349 -5.337 12.928 241 H3* C 22 H3* C 22 1.434 -2.926 12.833 242 H1* C 22 H1* C 22 2.394 -5.352 9.796 243 1H4 C 22 1H4 C 22 -0.679 -4.109 4.413 244 2H4 C 22 2H4 C 22 -1.517 -2.751 5.126 245 H5 C 22 H5 C 22 -1.275 -2.137 7.456 246 H6 C 22 H6 C 22 -0.169 -2.688 9.558 247 1H2* C 22 1H2* C 22 1.562 -2.547 10.488 248 2H2* C 22 2H2* C 22 3.115 -3.342 10.714 249 1H5* C 23 1H5* C 23 3.217 -6.018 10.762 250 2H5* C 23 2H5* C 23 4.273 -6.784 11.965 251 H4* C 23 H4* C 23 5.147 -7.787 10.181 252 H3* C 23 H3* C 23 6.830 -5.763 10.853 253 H1* C 23 H1* C 23 5.764 -6.392 7.149 254 1H4 C 23 1H4 C 23 2.416 -1.924 4.165 255 2H4 C 23 2H4 C 23 2.119 -1.050 5.652 256 H5 C 23 H5 C 23 2.949 -1.799 7.802 257 H6 C 23 H6 C 23 4.214 -3.536 8.956 258 1H2* C 23 1H2* C 23 6.237 -4.176 9.185 259 2H2* C 23 2H2* C 23 7.416 -5.105 8.268 260 1H5* C 24 1H5* C 24 7.143 -8.067 6.860 261 2H5* C 24 2H5* C 24 8.219 -9.193 7.712 262 H4* C 24 H4* C 24 8.575 -9.840 5.566 263 H3* C 24 H3* C 24 10.777 -8.747 6.563 264 H1* C 24 H1* C 24 9.367 -7.032 3.209 265 1H4 C 24 1H4 C 24 6.270 -1.615 4.327 266 2H4 C 24 2H4 C 24 6.755 -1.629 6.008 267 H5 C 24 H5 C 24 8.023 -3.431 6.999 268 H6 C 24 H6 C 24 9.084 -5.587 6.588 269 1H2* C 24 1H2* C 24 10.567 -6.481 5.899 270 2H2* C 24 2H2* C 24 11.329 -7.094 4.438 271 1H5* T 25 1H5* T 25 10.356 -8.993 2.227 272 2H5* T 25 2H5* T 25 11.618 -9.964 1.443 273 H4* T 25 H4* T 25 11.039 -8.481 -0.203 274 H3* T 25 H3* T 25 13.587 -8.027 0.911 275 1H2* T 25 1H2* T 25 13.271 -5.806 1.615 276 2H2* T 25 2H2* T 25 13.386 -5.443 -0.102 277 H1* T 25 H1* T 25 11.025 -5.431 -0.419 278 H3 T 25 H3 T 25 9.148 -1.873 1.527 279 1H5M T 25 1H5M T 25 12.629 -2.465 4.894 280 2H5M T 25 2H5M T 25 11.119 -3.033 5.645 281 3H5M T 25 3H5M T 25 12.375 -4.203 5.175 282 H6 T 25 H6 T 25 12.253 -5.161 3.048 283 1H5* G 26 1H5* G 26 12.049 -6.841 -2.911 284 2H5* G 26 2H5* G 26 12.941 -6.645 -4.434 285 H4* G 26 H4* G 26 11.120 -5.032 -4.184 286 H3* G 26 H3* G 26 13.691 -4.399 -5.053 287 H1* G 26 H1* G 26 11.389 -2.277 -2.851 288 H8 G 26 H8 G 26 14.160 -3.801 -0.603 289 H1 G 26 H1 G 26 11.515 1.681 1.443 290 1H2 G 26 1H2 G 26 10.061 2.410 -0.041 291 2H2 G 26 2H2 G 26 9.732 1.547 -1.526 292 1H2* G 26 1H2* G 26 14.331 -3.026 -3.229 293 2H2* G 26 2H2* G 26 13.387 -1.835 -4.114 294 1H5* A 27 1H5* A 27 10.761 -0.855 -7.479 295 2H5* A 27 2H5* A 27 12.044 -0.450 -8.638 296 H4* A 27 H4* A 27 10.861 1.441 -7.390 297 H3* A 27 H3* A 27 13.435 1.339 -8.437 298 H1* A 27 H1* A 27 12.355 2.880 -5.093 299 H8 A 27 H8 A 27 14.171 -0.483 -4.410 300 1H6 A 27 1H6 A 27 15.309 1.851 1.206 301 2H6 A 27 2H6 A 27 15.482 0.455 0.162 302 H2 A 27 H2 A 27 13.130 4.969 -1.183 303 1H2* A 27 1H2* A 27 14.622 1.275 -6.380 304 2H2* A 27 2H2* A 27 14.340 3.007 -6.459 305 1H5* G 28 1H5* G 28 11.337 5.224 -7.067 306 2H5* G 28 2H5* G 28 11.401 6.273 -8.500 307 H4* G 28 H4* G 28 11.091 7.693 -6.649 308 H3* G 28 H3* G 28 13.160 8.221 -8.264 309 H1* G 28 H1* G 28 13.712 8.155 -4.456 310 H8 G 28 H8 G 28 14.633 4.696 -5.963 311 H1 G 28 H1 G 28 17.056 6.009 -0.160 312 1H2 G 28 1H2 G 28 16.467 8.043 0.458 313 2H2 G 28 2H2 G 28 15.483 9.078 -0.552 314 1H2* G 28 1H2* G 28 14.849 7.008 -7.050 315 2H2* G 28 2H2* G 28 15.051 8.630 -6.400 316 1H5* C 29 1H5* C 29 12.578 11.209 -4.937 317 2H5* C 29 2H5* C 29 12.592 12.934 -5.364 318 H4* C 29 H4* C 29 13.698 12.806 -3.317 319 H3* C 29 H3* C 29 15.110 13.818 -5.426 320 H1* C 29 H1* C 29 16.600 11.467 -2.811 321 1H4 C 29 1H4 C 29 19.001 5.800 -4.291 322 2H4 C 29 2H4 C 29 18.341 5.868 -5.910 323 H5 C 29 H5 C 29 17.033 7.731 -6.721 324 H6 C 29 H6 C 29 16.061 9.891 -6.137 325 1H2* C 29 1H2* C 29 16.487 11.902 -5.840 326 2H2* C 29 2H2* C 29 17.479 12.753 -4.664 327 1H5* C 30 1H5* C 30 16.526 14.709 -0.829 328 2H5* C 30 2H5* C 30 17.115 16.371 -1.046 329 H4* C 30 H4* C 30 18.145 15.315 0.878 330 H3* C 30 H3* C 30 19.541 16.806 -0.861 331 H1* C 30 H1* C 30 20.884 13.262 0.102 332 1H4 C 30 1H4 C 30 20.926 8.738 -4.327 333 2H4 C 30 2H4 C 30 19.972 9.708 -5.427 334 H5 C 30 H5 C 30 19.165 11.923 -4.866 335 H6 C 30 H6 C 30 19.110 13.649 -3.142 336 H3T C 30 H3T C 30 21.206 16.688 0.671 337 1H2* C 30 1H2* C 30 20.390 15.087 -2.279 338 2H2* C 30 2H2* C 30 21.682 15.151 -1.088 339 1H ASP 10 1H ASP 10 -8.404 9.950 13.681 340 HA ASP 10 HA ASP 10 -8.193 12.644 13.238 341 1HB ASP 10 1HB ASP 10 -6.704 10.416 11.859 342 2HB ASP 10 2HB ASP 10 -6.239 12.111 11.778 343 H GLU 11 H GLU 11 -8.005 10.539 10.449 344 HA GLU 11 HA GLU 11 -9.974 12.152 9.037 345 1HB GLU 11 1HB GLU 11 -7.163 11.721 7.999 346 2HB GLU 11 2HB GLU 11 -8.477 12.473 7.109 347 1HG GLU 11 1HG GLU 11 -8.584 14.258 8.739 348 2HG GLU 11 2HG GLU 11 -7.270 13.518 9.646 349 H LEU 12 H LEU 12 -10.858 11.129 7.214 350 HA LEU 12 HA LEU 12 -10.326 8.245 7.104 351 1HB LEU 12 1HB LEU 12 -12.983 9.660 6.860 352 2HB LEU 12 2HB LEU 12 -12.736 7.938 6.647 353 HG LEU 12 HG LEU 12 -11.807 8.001 9.058 354 1HD1 LEU 12 1HD1 LEU 12 -11.664 10.392 9.315 355 2HD1 LEU 12 2HD1 LEU 12 -12.798 9.716 10.483 356 3HD1 LEU 12 3HD1 LEU 12 -13.401 10.549 9.050 357 1HD2 LEU 12 1HD2 LEU 12 -14.053 7.686 9.976 358 2HD2 LEU 12 2HD2 LEU 12 -13.867 6.875 8.421 359 3HD2 LEU 12 3HD2 LEU 12 -14.744 8.403 8.520 360 H CYS 13 H CYS 13 -10.783 7.201 5.102 361 HA CYS 13 HA CYS 13 -9.740 8.506 2.856 362 1HB CYS 13 1HB CYS 13 -11.499 6.046 2.862 363 2HB CYS 13 2HB CYS 13 -10.352 6.518 1.614 364 HG CYS 13 HG CYS 13 -9.337 5.815 4.796 365 HA PRO 14 HA PRO 14 -13.333 10.622 1.287 366 1HB PRO 14 1HB PRO 14 -12.418 11.147 -1.208 367 2HB PRO 14 2HB PRO 14 -11.853 12.020 0.221 368 1HG PRO 14 1HG PRO 14 -10.560 9.766 -1.259 369 2HG PRO 14 2HG PRO 14 -9.825 11.233 -0.587 370 1HD PRO 14 1HD PRO 14 -9.713 8.811 0.648 371 2HD PRO 14 2HD PRO 14 -9.703 10.351 1.529 372 H VAL 15 H VAL 15 -12.424 7.560 0.513 373 HA VAL 15 HA VAL 15 -14.576 7.277 -1.458 374 HB VAL 15 HB VAL 15 -12.674 6.569 -2.579 375 1HG1 VAL 15 1HG1 VAL 15 -11.299 6.373 -0.397 376 2HG1 VAL 15 2HG1 VAL 15 -10.835 5.469 -1.833 377 3HG1 VAL 15 3HG1 VAL 15 -11.701 4.658 -0.534 378 1HG2 VAL 15 1HG2 VAL 15 -12.925 4.155 -2.909 379 2HG2 VAL 15 2HG2 VAL 15 -14.476 4.993 -2.848 380 3HG2 VAL 15 3HG2 VAL 15 -13.910 4.082 -1.448 381 H CYS 16 H CYS 16 -12.975 4.955 0.672 382 HA CYS 16 HA CYS 16 -15.471 3.625 1.150 383 1HB CYS 16 1HB CYS 16 -14.161 2.036 2.450 384 2HB CYS 16 2HB CYS 16 -13.360 2.378 0.920 385 HG CYS 16 HG CYS 16 -12.094 2.474 3.873 386 H GLY 17 H GLY 17 -13.434 5.840 2.924 387 1HA GLY 17 1HA GLY 17 -14.140 7.218 4.673 388 2HA GLY 17 2HA GLY 17 -15.561 6.206 4.866 389 H ASP 18 H ASP 18 -12.209 5.065 4.817 390 HA ASP 18 HA ASP 18 -12.525 4.312 7.648 391 1HB ASP 18 1HB ASP 18 -10.720 3.116 5.536 392 2HB ASP 18 2HB ASP 18 -10.702 2.663 7.235 393 H LYS 19 H LYS 19 -10.678 4.465 9.016 394 HA LYS 19 HA LYS 19 -9.302 6.865 9.055 395 1HB LYS 19 1HB LYS 19 -9.010 4.223 10.380 396 2HB LYS 19 2HB LYS 19 -7.614 5.289 10.447 397 1HG LYS 19 1HG LYS 19 -10.234 6.466 11.157 398 2HG LYS 19 2HG LYS 19 -9.530 5.306 12.288 399 1HD LYS 19 1HD LYS 19 -8.109 7.736 11.199 400 2HD LYS 19 2HD LYS 19 -8.884 7.644 12.784 401 1HE LYS 19 1HE LYS 19 -7.387 5.881 13.464 402 2HE LYS 19 2HE LYS 19 -6.680 5.812 11.852 403 1HZ LYS 19 1HZ LYS 19 -5.835 8.051 12.165 404 2HZ LYS 19 2HZ LYS 19 -5.269 7.020 13.386 405 3HZ LYS 19 3HZ LYS 19 -6.518 8.118 13.718 406 H VAL 20 H VAL 20 -7.782 7.671 7.829 407 HA VAL 20 HA VAL 20 -6.541 6.264 5.742 408 HB VAL 20 HB VAL 20 -5.026 8.321 5.638 409 1HG1 VAL 20 1HG1 VAL 20 -8.020 8.653 5.523 410 2HG1 VAL 20 2HG1 VAL 20 -6.982 8.043 4.233 411 3HG1 VAL 20 3HG1 VAL 20 -6.842 9.721 4.759 412 1HG2 VAL 20 1HG2 VAL 20 -5.910 10.282 6.911 413 2HG2 VAL 20 2HG2 VAL 20 -5.145 9.053 7.919 414 3HG2 VAL 20 3HG2 VAL 20 -6.907 9.158 7.844 415 H SER 21 H SER 21 -4.653 5.275 5.522 416 HA SER 21 HA SER 21 -3.014 4.896 7.916 417 1HB SER 21 1HB SER 21 -3.859 2.873 6.792 418 2HB SER 21 2HB SER 21 -3.088 3.377 5.291 419 HG SER 21 HG SER 21 -1.663 2.003 6.172 420 H GLY 22 H GLY 22 -2.948 6.073 4.616 421 1HA GLY 22 1HA GLY 22 -0.966 7.916 4.861 422 2HA GLY 22 2HA GLY 22 -0.091 6.423 4.550 423 H TYR 23 H TYR 23 0.543 7.814 2.648 424 HA TYR 23 HA TYR 23 -1.420 8.222 0.597 425 1HB TYR 23 1HB TYR 23 1.592 8.473 0.606 426 2HB TYR 23 2HB TYR 23 0.585 8.860 -0.786 427 HD1 TYR 23 HD1 TYR 23 -0.359 10.978 -1.000 428 HD2 TYR 23 HD2 TYR 23 1.126 9.745 2.788 429 HE1 TYR 23 HE1 TYR 23 -0.725 13.243 -0.126 430 HE2 TYR 23 HE2 TYR 23 0.765 12.008 3.674 431 HH TYR 23 HH TYR 23 -0.865 14.482 1.763 432 H HIS 24 H HIS 24 -2.262 6.520 -0.418 433 HA HIS 24 HA HIS 24 -0.385 4.530 -1.503 434 1HB HIS 24 1HB HIS 24 -3.108 3.848 -0.374 435 2HB HIS 24 2HB HIS 24 -1.956 2.724 -1.076 436 HD1 HIS 24 HD1 HIS 24 0.591 3.442 0.466 437 HD2 HIS 24 HD2 HIS 24 -3.172 3.146 2.211 438 HE1 HIS 24 HE1 HIS 24 1.004 2.913 2.886 439 HE2 HIS 24 HE2 HIS 24 -1.286 2.430 3.827 440 H TYR 25 H TYR 25 -0.489 4.567 -3.620 441 HA TYR 25 HA TYR 25 -1.273 4.216 -5.694 442 1HB TYR 25 1HB TYR 25 -3.961 3.845 -4.367 443 2HB TYR 25 2HB TYR 25 -3.587 3.449 -6.043 444 HD1 TYR 25 HD1 TYR 25 -1.946 1.618 -6.531 445 HD2 TYR 25 HD2 TYR 25 -3.394 2.367 -2.604 446 HE1 TYR 25 HE1 TYR 25 -1.182 -0.612 -5.828 447 HE2 TYR 25 HE2 TYR 25 -2.636 0.142 -1.893 448 HH TYR 25 HH TYR 25 -0.621 -1.840 -3.893 449 H GLY 26 H GLY 26 -2.277 6.828 -3.850 450 1HA GLY 26 1HA GLY 26 -2.348 8.563 -6.039 451 2HA GLY 26 2HA GLY 26 -4.007 8.139 -5.649 452 H LEU 27 H LEU 27 -3.778 7.990 -2.841 453 HA LEU 27 HA LEU 27 -2.770 10.507 -1.883 454 1HB LEU 27 1HB LEU 27 -4.826 11.594 -1.423 455 2HB LEU 27 2HB LEU 27 -4.877 11.127 -3.110 456 HG LEU 27 HG LEU 27 -6.220 9.547 -0.913 457 1HD1 LEU 27 1HD1 LEU 27 -8.301 10.590 -1.649 458 2HD1 LEU 27 2HD1 LEU 27 -7.395 11.627 -2.751 459 3HD1 LEU 27 3HD1 LEU 27 -7.172 11.783 -1.007 460 1HD2 LEU 27 1HD2 LEU 27 -6.572 9.527 -3.912 461 2HD2 LEU 27 2HD2 LEU 27 -7.482 8.557 -2.754 462 3HD2 LEU 27 3HD2 LEU 27 -5.750 8.290 -2.961 463 H LEU 28 H LEU 28 -4.226 10.869 0.356 464 HA LEU 28 HA LEU 28 -3.448 8.874 2.145 465 1HB LEU 28 1HB LEU 28 -5.565 11.007 2.342 466 2HB LEU 28 2HB LEU 28 -5.157 9.952 3.681 467 HG LEU 28 HG LEU 28 -3.195 11.801 2.323 468 1HD1 LEU 28 1HD1 LEU 28 -4.955 13.068 3.435 469 2HD1 LEU 28 2HD1 LEU 28 -3.430 13.200 4.314 470 3HD1 LEU 28 3HD1 LEU 28 -4.705 12.137 4.911 471 1HD2 LEU 28 1HD2 LEU 28 -3.035 10.221 4.890 472 2HD2 LEU 28 2HD2 LEU 28 -1.809 11.334 4.282 473 3HD2 LEU 28 3HD2 LEU 28 -2.174 9.855 3.394 474 H THR 29 H THR 29 -4.085 6.843 2.006 475 HA THR 29 HA THR 29 -6.957 6.292 2.158 476 HB THR 29 HB THR 29 -6.435 4.176 0.778 477 HG1 THR 29 HG1 THR 29 -4.553 5.572 -0.652 478 1HG2 THR 29 1HG2 THR 29 -6.445 6.883 -0.569 479 2HG2 THR 29 2HG2 THR 29 -7.866 5.980 -0.041 480 3HG2 THR 29 3HG2 THR 29 -6.852 5.350 -1.340 481 H CYS 30 H CYS 30 -7.376 4.095 3.018 482 HA CYS 30 HA CYS 30 -5.470 3.482 5.137 483 1HB CYS 30 1HB CYS 30 -7.317 2.038 5.988 484 2HB CYS 30 2HB CYS 30 -7.781 3.728 5.806 485 HG CYS 30 HG CYS 30 -9.694 1.562 4.994 486 H GLU 31 H GLU 31 -5.421 0.998 5.658 487 HA GLU 31 HA GLU 31 -4.280 -0.314 3.399 488 1HB GLU 31 1HB GLU 31 -4.993 -1.419 6.121 489 2HB GLU 31 2HB GLU 31 -4.005 -2.235 4.918 490 1HG GLU 31 1HG GLU 31 -3.351 0.293 6.407 491 2HG GLU 31 2HG GLU 31 -2.565 -1.278 6.558 492 H SER 32 H SER 32 -7.427 -0.119 4.772 493 HA SER 32 HA SER 32 -8.631 -2.423 3.748 494 1HB SER 32 1HB SER 32 -10.051 0.220 3.720 495 2HB SER 32 2HB SER 32 -10.660 -1.366 4.193 496 HG SER 32 HG SER 32 -10.129 -0.897 6.155 497 H CYS 33 H CYS 33 -8.222 0.802 2.305 498 HA CYS 33 HA CYS 33 -9.330 0.180 -0.221 499 1HB CYS 33 1HB CYS 33 -7.239 2.255 0.484 500 2HB CYS 33 2HB CYS 33 -8.169 2.208 -1.009 501 HG CYS 33 HG CYS 33 -9.506 2.713 2.106 502 H LYS 34 H LYS 34 -5.991 0.424 0.897 503 HA LYS 34 HA LYS 34 -4.630 -0.316 -1.377 504 1HB LYS 34 1HB LYS 34 -3.562 0.583 0.588 505 2HB LYS 34 2HB LYS 34 -4.014 -0.822 1.533 506 1HG LYS 34 1HG LYS 34 -2.371 -2.139 0.603 507 2HG LYS 34 2HG LYS 34 -2.250 -1.143 -0.854 508 1HD LYS 34 1HD LYS 34 -0.994 0.486 0.204 509 2HD LYS 34 2HD LYS 34 -1.580 0.042 1.804 510 1HE LYS 34 1HE LYS 34 0.217 -1.717 0.153 511 2HE LYS 34 2HE LYS 34 0.819 -0.536 1.316 512 1HZ LYS 34 1HZ LYS 34 0.709 -2.623 2.402 513 2HZ LYS 34 2HZ LYS 34 -0.872 -2.902 1.875 514 3HZ LYS 34 3HZ LYS 34 -0.569 -1.689 3.019 515 H GLY 35 H GLY 35 -5.834 -2.494 1.184 516 1HA GLY 35 1HA GLY 35 -4.851 -4.873 0.002 517 2HA GLY 35 2HA GLY 35 -6.099 -4.773 1.234 518 H PHE 36 H PHE 36 -8.096 -3.409 -0.043 519 HA PHE 36 HA PHE 36 -9.306 -5.451 -1.574 520 1HB PHE 36 1HB PHE 36 -10.624 -3.866 -0.261 521 2HB PHE 36 2HB PHE 36 -10.070 -2.536 -1.271 522 HD1 PHE 36 HD1 PHE 36 -12.044 -5.672 -1.317 523 HD2 PHE 36 HD2 PHE 36 -11.206 -1.964 -3.233 524 HE1 PHE 36 HE1 PHE 36 -13.970 -6.010 -2.809 525 HE2 PHE 36 HE2 PHE 36 -13.129 -2.297 -4.730 526 HZ PHE 36 HZ PHE 36 -14.515 -4.322 -4.519 527 H PHE 37 H PHE 37 -7.724 -2.430 -2.438 528 HA PHE 37 HA PHE 37 -8.337 -2.348 -5.156 529 1HB PHE 37 1HB PHE 37 -7.168 -0.593 -3.676 530 2HB PHE 37 2HB PHE 37 -5.685 -1.472 -4.020 531 HD1 PHE 37 HD1 PHE 37 -8.530 0.236 -5.680 532 HD2 PHE 37 HD2 PHE 37 -4.463 -0.984 -5.932 533 HE1 PHE 37 HE1 PHE 37 -8.275 1.529 -7.756 534 HE2 PHE 37 HE2 PHE 37 -4.204 0.308 -8.010 535 HZ PHE 37 HZ PHE 37 -6.111 1.565 -8.926 536 H LYS 38 H LYS 38 -5.510 -3.773 -3.504 537 HA LYS 38 HA LYS 38 -4.282 -4.790 -5.816 538 1HB LYS 38 1HB LYS 38 -4.149 -5.770 -2.969 539 2HB LYS 38 2HB LYS 38 -3.141 -6.393 -4.266 540 1HG LYS 38 1HG LYS 38 -2.405 -3.965 -4.598 541 2HG LYS 38 2HG LYS 38 -3.115 -3.683 -3.005 542 1HD LYS 38 1HD LYS 38 -0.938 -5.657 -3.684 543 2HD LYS 38 2HD LYS 38 -0.751 -4.154 -2.780 544 1HE LYS 38 1HE LYS 38 -1.966 -4.990 -0.944 545 2HE LYS 38 2HE LYS 38 -2.595 -6.347 -1.878 546 1HZ LYS 38 1HZ LYS 38 -0.418 -7.312 -1.955 547 2HZ LYS 38 2HZ LYS 38 -0.796 -6.975 -0.339 548 3HZ LYS 38 3HZ LYS 38 0.267 -5.969 -1.184 549 H ARG 39 H ARG 39 -6.617 -6.308 -3.599 550 HA ARG 39 HA ARG 39 -6.548 -8.868 -4.719 551 1HB ARG 39 1HB ARG 39 -8.788 -7.425 -3.320 552 2HB ARG 39 2HB ARG 39 -8.881 -9.113 -3.806 553 1HG ARG 39 1HG ARG 39 -6.870 -9.563 -2.432 554 2HG ARG 39 2HG ARG 39 -6.942 -7.897 -1.866 555 1HD ARG 39 1HD ARG 39 -8.022 -9.218 -0.216 556 2HD ARG 39 2HD ARG 39 -9.300 -8.386 -1.102 557 HE ARG 39 HE ARG 39 -8.644 -11.037 -2.074 558 1HH1 ARG 39 1HH1 ARG 39 -10.761 -9.094 -0.066 559 2HH1 ARG 39 2HH1 ARG 39 -11.949 -10.340 0.104 560 1HH2 ARG 39 1HH2 ARG 39 -10.199 -12.687 -1.841 561 2HH2 ARG 39 2HH2 ARG 39 -11.635 -12.389 -0.907 562 H THR 40 H THR 40 -8.243 -5.974 -5.674 563 HA THR 40 HA THR 40 -9.879 -7.229 -7.635 564 HB THR 40 HB THR 40 -9.059 -4.325 -7.467 565 HG1 THR 40 HG1 THR 40 -10.036 -4.813 -5.534 566 1HG2 THR 40 1HG2 THR 40 -11.171 -3.918 -8.646 567 2HG2 THR 40 2HG2 THR 40 -11.464 -5.654 -8.728 568 3HG2 THR 40 3HG2 THR 40 -10.101 -4.948 -9.597 569 H VAL 41 H VAL 41 -7.065 -5.078 -7.929 570 HA VAL 41 HA VAL 41 -6.854 -5.287 -10.717 571 HB VAL 41 HB VAL 41 -4.561 -4.286 -10.406 572 1HG1 VAL 41 1HG1 VAL 41 -6.888 -2.965 -9.014 573 2HG1 VAL 41 2HG1 VAL 41 -6.524 -2.894 -10.739 574 3HG1 VAL 41 3HG1 VAL 41 -5.431 -2.144 -9.575 575 1HG2 VAL 41 1HG2 VAL 41 -4.014 -3.460 -8.166 576 2HG2 VAL 41 2HG2 VAL 41 -3.997 -5.221 -8.263 577 3HG2 VAL 41 3HG2 VAL 41 -5.359 -4.393 -7.510 578 H GLN 42 H GLN 42 -4.999 -6.984 -8.183 579 HA GLN 42 HA GLN 42 -3.180 -8.116 -10.075 580 1HB GLN 42 1HB GLN 42 -3.662 -8.529 -7.147 581 2HB GLN 42 2HB GLN 42 -2.558 -9.566 -8.036 582 1HG GLN 42 1HG GLN 42 -1.276 -7.577 -8.713 583 2HG GLN 42 2HG GLN 42 -2.365 -6.575 -7.755 584 1HE2 GLN 42 1HE2 GLN 42 -0.643 -5.855 -6.496 585 2HE2 GLN 42 2HE2 GLN 42 0.093 -6.855 -5.297 586 H ASN 43 H ASN 43 -6.098 -9.215 -8.517 587 HA ASN 43 HA ASN 43 -5.784 -11.925 -9.488 588 1HB ASN 43 1HB ASN 43 -7.937 -10.498 -7.948 589 2HB ASN 43 2HB ASN 43 -8.197 -12.111 -8.597 590 1HD2 ASN 43 1HD2 ASN 43 -5.028 -11.215 -7.534 591 2HD2 ASN 43 2HD2 ASN 43 -5.033 -12.149 -6.081 592 H ASN 44 H ASN 44 -6.467 -9.165 -11.011 593 HA ASN 44 HA ASN 44 -7.514 -8.548 -12.930 594 1HB ASN 44 1HB ASN 44 -7.513 -11.540 -13.377 595 2HB ASN 44 2HB ASN 44 -7.977 -10.364 -14.600 596 1HD2 ASN 44 1HD2 ASN 44 -5.383 -11.808 -12.865 597 2HD2 ASN 44 2HD2 ASN 44 -4.094 -11.104 -13.782 598 H LYS 45 H LYS 45 -9.082 -8.557 -10.737 599 HA LYS 45 HA LYS 45 -11.579 -9.913 -11.385 600 1HB LYS 45 1HB LYS 45 -10.534 -8.475 -8.977 601 2HB LYS 45 2HB LYS 45 -12.235 -8.863 -9.121 602 1HG LYS 45 1HG LYS 45 -11.713 -11.222 -9.240 603 2HG LYS 45 2HG LYS 45 -9.985 -10.861 -9.214 604 1HD LYS 45 1HD LYS 45 -10.200 -9.901 -6.988 605 2HD LYS 45 2HD LYS 45 -11.940 -10.192 -7.015 606 1HE LYS 45 1HE LYS 45 -11.567 -12.586 -7.114 607 2HE LYS 45 2HE LYS 45 -9.824 -12.334 -7.195 608 1HZ LYS 45 1HZ LYS 45 -11.466 -11.385 -4.917 609 2HZ LYS 45 2HZ LYS 45 -9.780 -11.556 -4.991 610 3HZ LYS 45 3HZ LYS 45 -10.769 -12.931 -4.953 611 H HIS 46 H HIS 46 -13.470 -8.872 -11.781 612 HA HIS 46 HA HIS 46 -13.501 -5.954 -11.742 613 1HB HIS 46 1HB HIS 46 -14.586 -5.789 -13.903 614 2HB HIS 46 2HB HIS 46 -13.065 -6.646 -14.099 615 HD1 HIS 46 HD1 HIS 46 -16.661 -6.916 -14.724 616 HD2 HIS 46 HD2 HIS 46 -13.410 -9.506 -14.495 617 HE1 HIS 46 HE1 HIS 46 -17.416 -9.055 -15.812 618 HE2 HIS 46 HE2 HIS 46 -15.374 -10.535 -15.833 619 H TYR 47 H TYR 47 -15.323 -5.165 -10.865 620 HA TYR 47 HA TYR 47 -17.300 -7.185 -10.046 621 1HB TYR 47 1HB TYR 47 -16.669 -4.506 -8.788 622 2HB TYR 47 2HB TYR 47 -17.834 -5.679 -8.183 623 HD1 TYR 47 HD1 TYR 47 -14.330 -4.760 -8.388 624 HD2 TYR 47 HD2 TYR 47 -17.042 -7.820 -7.215 625 HE1 TYR 47 HE1 TYR 47 -12.555 -5.814 -7.056 626 HE2 TYR 47 HE2 TYR 47 -15.271 -8.884 -5.879 627 HH TYR 47 HH TYR 47 -12.255 -7.307 -5.259 628 H THR 48 H THR 48 -19.499 -6.044 -9.508 629 HA THR 48 HA THR 48 -20.143 -4.067 -11.567 630 HB THR 48 HB THR 48 -20.729 -6.286 -12.499 631 HG1 THR 48 HG1 THR 48 -22.843 -5.685 -13.091 632 1HG2 THR 48 1HG2 THR 48 -22.620 -6.458 -10.149 633 2HG2 THR 48 2HG2 THR 48 -21.204 -7.475 -10.419 634 3HG2 THR 48 3HG2 THR 48 -22.580 -7.569 -11.518 635 H CYS 49 H CYS 49 -22.725 -3.650 -11.169 636 HA CYS 49 HA CYS 49 -22.944 -3.031 -8.298 637 1HB CYS 49 1HB CYS 49 -22.339 -1.025 -9.588 638 2HB CYS 49 2HB CYS 49 -23.727 -1.279 -10.640 639 HG CYS 49 HG CYS 49 -23.600 0.005 -7.525 640 H THR 50 H THR 50 -25.137 -2.827 -7.507 641 HA THR 50 HA THR 50 -27.047 -4.383 -9.118 642 HB THR 50 HB THR 50 -26.377 -5.390 -6.935 643 HG1 THR 50 HG1 THR 50 -29.083 -4.591 -7.315 644 1HG2 THR 50 1HG2 THR 50 -27.795 -2.995 -5.757 645 2HG2 THR 50 2HG2 THR 50 -26.069 -3.341 -5.640 646 3HG2 THR 50 3HG2 THR 50 -27.236 -4.405 -4.857 647 H GLU 51 H GLU 51 -26.321 -1.331 -8.542 648 HA GLU 51 HA GLU 51 -29.118 -0.423 -8.485 649 1HB GLU 51 1HB GLU 51 -26.756 0.903 -7.132 650 2HB GLU 51 2HB GLU 51 -28.393 1.542 -7.188 651 1HG GLU 51 1HG GLU 51 -29.208 -0.261 -5.839 652 2HG GLU 51 2HG GLU 51 -27.646 -1.074 -5.906 653 H SER 52 H SER 52 -27.938 2.368 -8.628 654 HA SER 52 HA SER 52 -27.884 2.479 -11.514 655 1HB SER 52 1HB SER 52 -27.637 4.768 -9.559 656 2HB SER 52 2HB SER 52 -28.180 4.836 -11.237 657 HG SER 52 HG SER 52 -29.929 3.386 -10.508 658 H GLN 53 H GLN 53 -25.541 1.484 -9.798 659 HA GLN 53 HA GLN 53 -23.307 1.337 -10.069 660 1HB GLN 53 1HB GLN 53 -23.735 3.354 -12.270 661 2HB GLN 53 2HB GLN 53 -22.168 2.657 -11.882 662 1HG GLN 53 1HG GLN 53 -23.054 0.422 -12.349 663 2HG GLN 53 2HG GLN 53 -24.612 1.135 -12.763 664 1HE2 GLN 53 1HE2 GLN 53 -21.304 0.708 -13.739 665 2HE2 GLN 53 2HE2 GLN 53 -21.514 1.212 -15.381 666 H SER 54 H SER 54 -24.305 4.766 -10.223 667 HA SER 54 HA SER 54 -22.065 5.466 -8.519 668 1HB SER 54 1HB SER 54 -23.158 7.804 -8.748 669 2HB SER 54 2HB SER 54 -22.403 7.089 -10.173 670 HG SER 54 HG SER 54 -24.789 8.002 -10.077 671 H CYS 55 H CYS 55 -22.947 4.004 -6.883 672 HA CYS 55 HA CYS 55 -25.331 4.794 -5.464 673 1HB CYS 55 1HB CYS 55 -23.263 2.720 -4.728 674 2HB CYS 55 2HB CYS 55 -24.883 2.869 -4.059 675 HG CYS 55 HG CYS 55 -25.677 0.996 -5.606 676 H LYS 56 H LYS 56 -24.989 4.571 -2.929 677 HA LYS 56 HA LYS 56 -23.107 6.649 -2.156 678 1HB LYS 56 1HB LYS 56 -25.340 5.256 -0.670 679 2HB LYS 56 2HB LYS 56 -24.269 6.435 0.075 680 1HG LYS 56 1HG LYS 56 -26.122 6.931 -2.245 681 2HG LYS 56 2HG LYS 56 -26.342 7.484 -0.582 682 1HD LYS 56 1HD LYS 56 -24.340 8.835 -0.734 683 2HD LYS 56 2HD LYS 56 -24.023 8.226 -2.358 684 1HE LYS 56 1HE LYS 56 -26.131 9.243 -3.120 685 2HE LYS 56 2HE LYS 56 -26.382 9.895 -1.500 686 1HZ LYS 56 1HZ LYS 56 -23.990 10.485 -3.148 687 2HZ LYS 56 2HZ LYS 56 -24.460 11.245 -1.706 688 3HZ LYS 56 3HZ LYS 56 -25.368 11.469 -3.122 689 H ILE 57 H ILE 57 -21.133 6.085 -1.555 690 HA ILE 57 HA ILE 57 -20.593 3.361 -0.751 691 HB ILE 57 HB ILE 57 -18.673 5.691 -0.887 692 1HG1 ILE 57 1HG1 ILE 57 -19.643 5.210 -3.080 693 2HG1 ILE 57 2HG1 ILE 57 -17.959 4.697 -3.031 694 1HG2 ILE 57 1HG2 ILE 57 -16.939 3.952 -0.909 695 2HG2 ILE 57 2HG2 ILE 57 -18.183 2.719 -0.699 696 3HG2 ILE 57 3HG2 ILE 57 -17.895 3.905 0.573 697 1HD1 ILE 57 1HD1 ILE 57 -18.674 2.390 -2.697 698 2HD1 ILE 57 2HD1 ILE 57 -19.351 3.071 -4.178 699 3HD1 ILE 57 3HD1 ILE 57 -20.360 2.906 -2.740 700 H ASP 58 H ASP 58 -21.242 2.862 1.176 701 HA ASP 58 HA ASP 58 -20.552 4.608 3.438 702 1HB ASP 58 1HB ASP 58 -23.070 3.240 2.742 703 2HB ASP 58 2HB ASP 58 -22.556 3.008 4.408 704 H LYS 59 H LYS 59 -20.673 3.123 5.541 705 HA LYS 59 HA LYS 59 -18.440 1.420 5.319 706 1HB LYS 59 1HB LYS 59 -19.038 2.638 7.367 707 2HB LYS 59 2HB LYS 59 -20.473 1.639 7.542 708 1HG LYS 59 1HG LYS 59 -19.139 -0.314 7.930 709 2HG LYS 59 2HG LYS 59 -17.657 0.580 7.575 710 1HD LYS 59 1HD LYS 59 -17.962 0.343 9.978 711 2HD LYS 59 2HD LYS 59 -18.085 2.037 9.498 712 1HE LYS 59 1HE LYS 59 -20.566 1.776 9.484 713 2HE LYS 59 2HE LYS 59 -20.348 0.157 10.150 714 1HZ LYS 59 1HZ LYS 59 -19.147 1.211 12.023 715 2HZ LYS 59 2HZ LYS 59 -20.783 1.649 11.932 716 3HZ LYS 59 3HZ LYS 59 -19.585 2.731 11.410 717 H THR 60 H THR 60 -21.904 0.781 5.454 718 HA THR 60 HA THR 60 -21.451 -2.081 5.301 719 HB THR 60 HB THR 60 -23.284 -1.377 6.703 720 HG1 THR 60 HG1 THR 60 -23.496 -3.300 5.235 721 1HG2 THR 60 1HG2 THR 60 -24.469 -0.101 4.236 722 2HG2 THR 60 2HG2 THR 60 -23.820 0.751 5.637 723 3HG2 THR 60 3HG2 THR 60 -25.264 -0.246 5.803 724 H GLN 61 H GLN 61 -22.403 0.569 3.204 725 HA GLN 61 HA GLN 61 -23.448 -1.051 1.109 726 1HB GLN 61 1HB GLN 61 -22.442 1.791 1.035 727 2HB GLN 61 2HB GLN 61 -23.344 1.008 -0.249 728 1HG GLN 61 1HG GLN 61 -24.357 1.533 2.535 729 2HG GLN 61 2HG GLN 61 -24.731 2.493 1.107 730 1HE2 GLN 61 1HE2 GLN 61 -26.540 1.110 2.854 731 2HE2 GLN 61 2HE2 GLN 61 -27.390 -0.042 1.880 732 H ARG 62 H ARG 62 -20.250 -0.085 2.003 733 HA ARG 62 HA ARG 62 -19.091 -0.235 -0.582 734 1HB ARG 62 1HB ARG 62 -16.930 -0.198 0.588 735 2HB ARG 62 2HB ARG 62 -18.021 1.049 1.167 736 1HG ARG 62 1HG ARG 62 -18.596 -0.509 3.069 737 2HG ARG 62 2HG ARG 62 -17.238 -1.505 2.537 738 1HD ARG 62 1HD ARG 62 -15.735 0.406 2.803 739 2HD ARG 62 2HD ARG 62 -17.089 1.402 3.329 740 HE ARG 62 HE ARG 62 -16.821 -0.917 4.950 741 1HH1 ARG 62 1HH1 ARG 62 -15.626 2.330 4.449 742 2HH1 ARG 62 2HH1 ARG 62 -14.844 2.413 5.996 743 1HH2 ARG 62 1HH2 ARG 62 -15.836 -0.754 7.042 744 2HH2 ARG 62 2HH2 ARG 62 -14.954 0.686 7.444 745 H LYS 63 H LYS 63 -20.062 -2.658 1.634 746 HA LYS 63 HA LYS 63 -18.431 -4.683 0.303 747 1HB LYS 63 1HB LYS 63 -20.357 -4.881 2.621 748 2HB LYS 63 2HB LYS 63 -19.512 -6.255 1.923 749 1HG LYS 63 1HG LYS 63 -17.367 -5.013 2.450 750 2HG LYS 63 2HG LYS 63 -18.359 -3.928 3.421 751 1HD LYS 63 1HD LYS 63 -19.111 -5.765 4.795 752 2HD LYS 63 2HD LYS 63 -18.261 -6.923 3.770 753 1HE LYS 63 1HE LYS 63 -16.124 -5.870 4.396 754 2HE LYS 63 2HE LYS 63 -16.998 -4.767 5.460 755 1HZ LYS 63 1HZ LYS 63 -16.932 -7.725 5.719 756 2HZ LYS 63 2HZ LYS 63 -17.769 -6.665 6.742 757 3HZ LYS 63 3HZ LYS 63 -16.077 -6.633 6.688 758 H ARG 64 H ARG 64 -21.388 -3.177 -0.071 759 HA ARG 64 HA ARG 64 -22.776 -5.508 -1.144 760 1HB ARG 64 1HB ARG 64 -23.717 -2.638 -0.989 761 2HB ARG 64 2HB ARG 64 -24.706 -4.053 -1.323 762 1HG ARG 64 1HG ARG 64 -24.310 -4.888 0.918 763 2HG ARG 64 2HG ARG 64 -23.258 -3.513 1.259 764 1HD ARG 64 1HD ARG 64 -25.186 -2.010 0.825 765 2HD ARG 64 2HD ARG 64 -26.207 -3.437 0.655 766 HE ARG 64 HE ARG 64 -24.719 -3.216 3.139 767 1HH1 ARG 64 1HH1 ARG 64 -27.742 -2.708 1.451 768 2HH1 ARG 64 2HH1 ARG 64 -28.686 -2.590 2.913 769 1HH2 ARG 64 1HH2 ARG 64 -25.929 -3.041 5.053 770 2HH2 ARG 64 2HH2 ARG 64 -27.652 -2.797 4.971 771 H CYS 65 H CYS 65 -21.583 -2.351 -2.174 772 HA CYS 65 HA CYS 65 -21.598 -3.345 -4.941 773 1HB CYS 65 1HB CYS 65 -21.908 -0.544 -3.866 774 2HB CYS 65 2HB CYS 65 -21.488 -0.863 -5.545 775 HG CYS 65 HG CYS 65 -24.432 -0.592 -4.297 776 HA PRO 66 HA PRO 66 -17.189 -3.137 -3.624 777 1HB PRO 66 1HB PRO 66 -16.932 -5.203 -5.710 778 2HB PRO 66 2HB PRO 66 -16.423 -5.245 -4.021 779 1HG PRO 66 1HG PRO 66 -18.510 -6.685 -4.897 780 2HG PRO 66 2HG PRO 66 -18.486 -5.965 -3.276 781 1HD PRO 66 1HD PRO 66 -19.891 -5.026 -5.748 782 2HD PRO 66 2HD PRO 66 -20.464 -5.051 -4.067 783 H PHE 67 H PHE 67 -18.626 -3.292 -6.838 784 HA PHE 67 HA PHE 67 -16.424 -2.272 -8.272 785 1HB PHE 67 1HB PHE 67 -18.240 -3.365 -9.446 786 2HB PHE 67 2HB PHE 67 -19.383 -2.149 -8.882 787 HD1 PHE 67 HD1 PHE 67 -19.839 -0.302 -10.196 788 HD2 PHE 67 HD2 PHE 67 -16.264 -2.509 -10.874 789 HE1 PHE 67 HE1 PHE 67 -19.371 1.072 -12.179 790 HE2 PHE 67 HE2 PHE 67 -15.793 -1.142 -12.861 791 HZ PHE 67 HZ PHE 67 -17.347 0.652 -13.516 792 H CYS 68 H CYS 68 -19.257 -0.692 -6.845 793 HA CYS 68 HA CYS 68 -18.671 1.912 -7.694 794 1HB CYS 68 1HB CYS 68 -20.081 1.127 -5.134 795 2HB CYS 68 2HB CYS 68 -20.268 2.631 -6.032 796 HG CYS 68 HG CYS 68 -21.859 1.744 -7.938 797 H ARG 69 H ARG 69 -17.719 0.100 -4.823 798 HA ARG 69 HA ARG 69 -16.327 2.150 -3.494 799 1HB ARG 69 1HB ARG 69 -16.896 0.041 -2.405 800 2HB ARG 69 2HB ARG 69 -15.849 -0.837 -3.510 801 1HG ARG 69 1HG ARG 69 -13.914 0.399 -2.596 802 2HG ARG 69 2HG ARG 69 -14.997 1.157 -1.426 803 1HD ARG 69 1HD ARG 69 -15.583 -1.046 -0.541 804 2HD ARG 69 2HD ARG 69 -14.505 -1.804 -1.713 805 HE ARG 69 HE ARG 69 -13.012 0.050 -0.268 806 1HH1 ARG 69 1HH1 ARG 69 -14.701 -2.967 0.266 807 2HH1 ARG 69 2HH1 ARG 69 -13.692 -3.447 1.591 808 1HH2 ARG 69 1HH2 ARG 69 -11.678 -0.572 1.479 809 2HH2 ARG 69 2HH2 ARG 69 -11.982 -2.068 2.301 810 H PHE 70 H PHE 70 -15.178 -0.378 -5.705 811 HA PHE 70 HA PHE 70 -12.493 0.399 -5.799 812 1HB PHE 70 1HB PHE 70 -13.217 -1.772 -6.597 813 2HB PHE 70 2HB PHE 70 -14.201 -1.026 -7.850 814 HD1 PHE 70 HD1 PHE 70 -10.669 -1.304 -6.701 815 HD2 PHE 70 HD2 PHE 70 -13.338 -0.752 -9.970 816 HE1 PHE 70 HE1 PHE 70 -8.777 -1.450 -8.268 817 HE2 PHE 70 HE2 PHE 70 -11.451 -0.895 -11.541 818 HZ PHE 70 HZ PHE 70 -9.167 -1.244 -10.691 819 H GLN 71 H GLN 71 -15.189 1.254 -7.976 820 HA GLN 71 HA GLN 71 -13.580 2.750 -9.731 821 1HB GLN 71 1HB GLN 71 -15.592 3.517 -10.761 822 2HB GLN 71 2HB GLN 71 -15.837 1.845 -10.290 823 1HG GLN 71 1HG GLN 71 -17.768 2.548 -9.466 824 2HG GLN 71 2HG GLN 71 -16.811 3.177 -8.128 825 1HE2 GLN 71 1HE2 GLN 71 -15.583 5.256 -9.797 826 2HE2 GLN 71 2HE2 GLN 71 -16.800 6.457 -10.010 827 H LYS 72 H LYS 72 -15.219 3.647 -6.730 828 HA LYS 72 HA LYS 72 -14.678 6.434 -7.093 829 1HB LYS 72 1HB LYS 72 -16.466 5.747 -5.567 830 2HB LYS 72 2HB LYS 72 -15.278 4.975 -4.516 831 1HG LYS 72 1HG LYS 72 -14.212 7.096 -4.089 832 2HG LYS 72 2HG LYS 72 -15.294 7.901 -5.222 833 1HD LYS 72 1HD LYS 72 -16.153 6.533 -2.680 834 2HD LYS 72 2HD LYS 72 -15.879 8.264 -2.869 835 1HE LYS 72 1HE LYS 72 -17.612 8.208 -4.706 836 2HE LYS 72 2HE LYS 72 -18.002 6.577 -4.158 837 1HZ LYS 72 1HZ LYS 72 -18.487 7.476 -1.959 838 2HZ LYS 72 2HZ LYS 72 -19.455 8.218 -3.135 839 3HZ LYS 72 3HZ LYS 72 -18.118 9.037 -2.497 840 H CYS 73 H CYS 73 -12.892 3.724 -5.774 841 HA CYS 73 HA CYS 73 -10.831 5.139 -4.519 842 1HB CYS 73 1HB CYS 73 -10.619 2.574 -6.116 843 2HB CYS 73 2HB CYS 73 -9.401 3.182 -5.001 844 HG CYS 73 HG CYS 73 -12.573 2.290 -4.074 845 H LEU 74 H LEU 74 -11.257 4.218 -7.936 846 HA LEU 74 HA LEU 74 -8.940 5.585 -8.854 847 1HB LEU 74 1HB LEU 74 -11.486 4.802 -10.265 848 2HB LEU 74 2HB LEU 74 -10.158 5.591 -11.080 849 HG LEU 74 HG LEU 74 -8.718 3.625 -10.271 850 1HD1 LEU 74 1HD1 LEU 74 -10.176 2.670 -8.656 851 2HD1 LEU 74 2HD1 LEU 74 -10.040 1.533 -9.997 852 3HD1 LEU 74 3HD1 LEU 74 -11.480 2.539 -9.831 853 1HD2 LEU 74 1HD2 LEU 74 -9.404 2.251 -12.164 854 2HD2 LEU 74 2HD2 LEU 74 -9.355 3.963 -12.592 855 3HD2 LEU 74 3HD2 LEU 74 -10.903 3.172 -12.290 856 H THR 75 H THR 75 -12.267 6.551 -8.332 857 HA THR 75 HA THR 75 -12.307 9.090 -9.436 858 HB THR 75 HB THR 75 -13.675 7.975 -6.987 859 HG1 THR 75 HG1 THR 75 -14.155 8.005 -9.711 860 1HG2 THR 75 1HG2 THR 75 -14.364 10.561 -8.388 861 2HG2 THR 75 2HG2 THR 75 -13.541 10.450 -6.832 862 3HG2 THR 75 3HG2 THR 75 -15.190 9.846 -6.998 863 H VAL 76 H VAL 76 -11.259 8.125 -6.162 864 HA VAL 76 HA VAL 76 -10.765 10.839 -5.396 865 HB VAL 76 HB VAL 76 -9.857 9.924 -3.309 866 1HG1 VAL 76 1HG1 VAL 76 -12.255 10.271 -3.543 867 2HG1 VAL 76 2HG1 VAL 76 -11.921 8.873 -2.519 868 3HG1 VAL 76 3HG1 VAL 76 -12.440 8.640 -4.188 869 1HG2 VAL 76 1HG2 VAL 76 -10.350 7.225 -4.565 870 2HG2 VAL 76 2HG2 VAL 76 -9.891 7.516 -2.888 871 3HG2 VAL 76 3HG2 VAL 76 -8.774 7.921 -4.191 872 H GLY 77 H GLY 77 -8.879 8.441 -7.005 873 1HA GLY 77 1HA GLY 77 -7.059 9.807 -8.192 874 2HA GLY 77 2HA GLY 77 -6.482 10.100 -6.563 875 H MET 78 H MET 78 -7.638 7.014 -6.497 876 HA MET 78 HA MET 78 -4.984 5.925 -6.535 877 1HB MET 78 1HB MET 78 -7.659 4.539 -6.265 878 2HB MET 78 2HB MET 78 -6.093 3.784 -5.999 879 1HG MET 78 1HG MET 78 -5.657 5.276 -4.141 880 2HG MET 78 2HG MET 78 -7.184 6.107 -4.427 881 1HE MET 78 1HE MET 78 -5.475 2.763 -3.281 882 2HE MET 78 2HE MET 78 -6.455 2.259 -4.658 883 3HE MET 78 3HE MET 78 -6.876 1.721 -3.031 884 H ARG 79 H ARG 79 -3.935 5.155 -8.228 885 HA ARG 79 HA ARG 79 -5.478 4.656 -10.682 886 1HB ARG 79 1HB ARG 79 -2.634 5.595 -10.315 887 2HB ARG 79 2HB ARG 79 -3.324 5.151 -11.870 888 1HG ARG 79 1HG ARG 79 -4.297 7.369 -10.079 889 2HG ARG 79 2HG ARG 79 -3.336 7.559 -11.549 890 1HD ARG 79 1HD ARG 79 -5.135 6.557 -12.860 891 2HD ARG 79 2HD ARG 79 -6.091 6.348 -11.396 892 HE ARG 79 HE ARG 79 -5.324 9.070 -11.786 893 1HH1 ARG 79 1HH1 ARG 79 -7.585 6.604 -12.800 894 2HH1 ARG 79 2HH1 ARG 79 -8.833 7.726 -13.240 895 1HH2 ARG 79 1HH2 ARG 79 -6.974 10.566 -12.360 896 2HH2 ARG 79 2HH2 ARG 79 -8.484 9.981 -12.989 897 H LEU 80 H LEU 80 -4.631 3.081 -12.184 898 HA LEU 80 HA LEU 80 -4.158 0.602 -10.804 899 1HB LEU 80 1HB LEU 80 -4.335 1.187 -13.765 900 2HB LEU 80 2HB LEU 80 -4.267 -0.411 -13.058 901 HG LEU 80 HG LEU 80 -6.514 -0.139 -13.572 902 1HD1 LEU 80 1HD1 LEU 80 -7.713 0.139 -11.438 903 2HD1 LEU 80 2HD1 LEU 80 -6.214 0.710 -10.704 904 3HD1 LEU 80 3HD1 LEU 80 -6.319 -0.938 -11.324 905 1HD2 LEU 80 1HD2 LEU 80 -6.316 2.298 -14.079 906 2HD2 LEU 80 2HD2 LEU 80 -6.558 2.611 -12.358 907 3HD2 LEU 80 3HD2 LEU 80 -7.819 1.818 -13.297 908 H GLU 81 H GLU 81 -2.259 2.969 -12.385 909 HA GLU 81 HA GLU 81 -0.071 1.326 -13.155 910 1HB GLU 81 1HB GLU 81 -0.091 4.284 -12.545 911 2HB GLU 81 2HB GLU 81 1.161 3.417 -13.419 912 1HG GLU 81 1HG GLU 81 -0.457 2.879 -15.171 913 2HG GLU 81 2HG GLU 81 -1.683 3.805 -14.306 914 H ALA 82 H ALA 82 -1.127 2.611 -10.164 915 HA ALA 82 HA ALA 82 1.480 2.655 -8.922 916 1HB ALA 82 1HB ALA 82 -1.255 2.995 -7.700 917 2HB ALA 82 2HB ALA 82 -0.230 4.296 -8.306 918 3HB ALA 82 3HB ALA 82 0.287 3.339 -6.917 919 H VAL 83 H VAL 83 -0.493 0.212 -9.805 920 HA VAL 83 HA VAL 83 0.518 -1.495 -7.640 921 HB VAL 83 HB VAL 83 -1.851 -1.242 -7.226 922 1HG1 VAL 83 1HG1 VAL 83 -3.542 -1.904 -8.866 923 2HG1 VAL 83 2HG1 VAL 83 -2.272 -2.161 -10.064 924 3HG1 VAL 83 3HG1 VAL 83 -2.575 -0.541 -9.437 925 1HG2 VAL 83 1HG2 VAL 83 -1.086 -3.415 -6.709 926 2HG2 VAL 83 2HG2 VAL 83 -1.076 -3.893 -8.407 927 3HG2 VAL 83 3HG2 VAL 83 -2.612 -3.631 -7.579 928 H ARG 84 H ARG 84 1.394 -3.404 -8.264 929 HA ARG 84 HA ARG 84 1.276 -4.059 -11.129 930 1HB ARG 84 1HB ARG 84 3.633 -4.233 -9.255 931 2HB ARG 84 2HB ARG 84 3.591 -5.006 -10.833 932 1HG ARG 84 1HG ARG 84 3.082 -2.665 -11.746 933 2HG ARG 84 2HG ARG 84 3.637 -2.088 -10.173 934 1HD ARG 84 1HD ARG 84 5.453 -2.097 -11.811 935 2HD ARG 84 2HD ARG 84 5.765 -3.225 -10.490 936 HE ARG 84 HE ARG 84 4.552 -4.755 -12.393 937 1HH1 ARG 84 1HH1 ARG 84 7.332 -2.630 -12.439 938 2HH1 ARG 84 2HH1 ARG 84 8.191 -3.564 -13.627 939 1HH2 ARG 84 1HH2 ARG 84 5.678 -6.002 -13.948 940 2HH2 ARG 84 2HH2 ARG 84 7.260 -5.486 -14.463 941 H ALA 85 H ALA 85 0.835 -6.108 -11.654 942 HA ALA 85 HA ALA 85 -0.011 -7.884 -9.530 943 1HB ALA 85 1HB ALA 85 -1.425 -7.573 -11.492 944 2HB ALA 85 2HB ALA 85 -0.924 -9.254 -11.311 945 3HB ALA 85 3HB ALA 85 -0.145 -8.228 -12.514 946 H ASP 86 H ASP 86 2.680 -7.493 -11.648 947 HA ASP 86 HA ASP 86 3.601 -10.169 -11.696 948 1HB ASP 86 1HB ASP 86 5.240 -7.630 -11.910 949 2HB ASP 86 2HB ASP 86 5.770 -9.241 -12.374 950 H ARG 87 H ARG 87 5.661 -7.744 -10.262 951 HA ARG 87 HA ARG 87 5.242 -8.205 -7.571 952 1HB ARG 87 1HB ARG 87 6.050 -10.533 -8.260 953 2HB ARG 87 2HB ARG 87 7.625 -9.802 -8.528 954 1HG ARG 87 1HG ARG 87 7.540 -10.867 -6.361 955 2HG ARG 87 2HG ARG 87 7.692 -9.117 -6.176 956 1HD ARG 87 1HD ARG 87 6.050 -10.142 -4.619 957 2HD ARG 87 2HD ARG 87 5.358 -8.908 -5.668 958 HE ARG 87 HE ARG 87 4.594 -10.881 -7.071 959 1HH1 ARG 87 1HH1 ARG 87 5.089 -11.155 -3.611 960 2HH1 ARG 87 2HH1 ARG 87 3.810 -12.313 -3.401 961 1HH2 ARG 87 1HH2 ARG 87 2.925 -12.423 -6.790 962 2HH2 ARG 87 2HH2 ARG 87 2.581 -13.031 -5.189 963 H MET 88 H MET 88 5.744 -6.074 -7.307 964 HA MET 88 HA MET 88 8.564 -5.384 -7.345 965 1HB MET 88 1HB MET 88 7.577 -4.724 -9.597 966 2HB MET 88 2HB MET 88 6.557 -3.590 -8.729 967 1HG MET 88 1HG MET 88 9.554 -3.527 -8.552 968 2HG MET 88 2HG MET 88 8.657 -2.671 -9.801 969 1HE MET 88 1HE MET 88 6.971 -0.666 -9.305 970 2HE MET 88 2HE MET 88 6.571 -0.110 -7.681 971 3HE MET 88 3HE MET 88 6.059 -1.711 -8.215 972 H ARG 89 H ARG 89 8.813 -4.828 -5.275 973 HA ARG 89 HA ARG 89 6.590 -3.425 -3.943 974 1HB ARG 89 1HB ARG 89 8.740 -5.218 -2.811 975 2HB ARG 89 2HB ARG 89 7.586 -4.326 -1.827 976 1HG ARG 89 1HG ARG 89 5.757 -5.518 -3.049 977 2HG ARG 89 2HG ARG 89 6.997 -6.514 -3.805 978 1HD ARG 89 1HD ARG 89 6.681 -6.254 -0.825 979 2HD ARG 89 2HD ARG 89 5.867 -7.495 -1.773 980 HE ARG 89 HE ARG 89 8.663 -7.500 -2.271 981 1HH1 ARG 89 1HH1 ARG 89 6.268 -8.455 0.097 982 2HH1 ARG 89 2HH1 ARG 89 7.228 -9.751 0.731 983 1HH2 ARG 89 1HH2 ARG 89 9.910 -9.236 -1.472 984 2HH2 ARG 89 2HH2 ARG 89 9.291 -10.202 -0.154 985 H GLY 90 H GLY 90 8.782 -2.198 -5.524 986 1HA GLY 90 1HA GLY 90 10.564 -0.911 -3.697 987 2HA GLY 90 2HA GLY 90 10.291 -0.463 -5.375 988 H GLY 91 H GLY 91 7.350 -0.239 -4.816 989 1HA GLY 91 1HA GLY 91 5.804 1.187 -3.869 990 2HA GLY 91 2HA GLY 91 7.055 1.763 -2.783 991 H ARG 92 H ARG 92 8.722 3.207 -3.841 992 HA ARG 92 HA ARG 92 7.294 5.445 -4.841 993 1HB ARG 92 1HB ARG 92 10.250 4.944 -4.487 994 2HB ARG 92 2HB ARG 92 9.582 6.487 -5.006 995 1HG ARG 92 1HG ARG 92 8.373 6.713 -2.934 996 2HG ARG 92 2HG ARG 92 8.894 5.109 -2.419 997 1HD ARG 92 1HD ARG 92 10.205 6.867 -1.343 998 2HD ARG 92 2HD ARG 92 11.208 5.856 -2.380 999 HE ARG 92 HE ARG 92 10.367 8.053 -3.882 1000 1HH1 ARG 92 1HH1 ARG 92 12.322 7.430 -1.056 1001 2HH1 ARG 92 2HH1 ARG 92 13.433 8.717 -1.378 1002 1HH2 ARG 92 1HH2 ARG 92 11.799 9.771 -4.305 1003 2HH2 ARG 92 2HH2 ARG 92 13.141 10.061 -3.238 1004 H ASN 93 H ASN 93 6.536 5.549 -6.809 1005 HA ASN 93 HA ASN 93 8.286 4.898 -9.069 1006 1HB ASN 93 1HB ASN 93 6.665 2.998 -8.463 1007 2HB ASN 93 2HB ASN 93 5.375 4.070 -8.991 1008 1HD2 ASN 93 1HD2 ASN 93 8.188 2.256 -10.000 1009 2HD2 ASN 93 2HD2 ASN 93 7.806 2.238 -11.696 1010 H LYS 94 H LYS 94 5.690 5.321 -10.694 1011 HA LYS 94 HA LYS 94 6.195 7.813 -11.676 1012 1HB LYS 94 1HB LYS 94 4.810 6.213 -12.829 1013 2HB LYS 94 2HB LYS 94 3.581 6.309 -11.577 1014 1HG LYS 94 1HG LYS 94 3.100 8.609 -12.199 1015 2HG LYS 94 2HG LYS 94 4.365 8.549 -13.430 1016 1HD LYS 94 1HD LYS 94 3.163 6.761 -14.583 1017 2HD LYS 94 2HD LYS 94 1.906 6.802 -13.346 1018 1HE LYS 94 1HE LYS 94 1.281 9.032 -13.976 1019 2HE LYS 94 2HE LYS 94 2.643 9.146 -15.091 1020 1HZ LYS 94 1HZ LYS 94 1.666 7.423 -16.441 1021 2HZ LYS 94 2HZ LYS 94 0.548 8.680 -16.232 1022 3HZ LYS 94 3HZ LYS 94 0.376 7.235 -15.354 1023 H PHE 95 H PHE 95 3.905 7.045 -9.070 1024 HA PHE 95 HA PHE 95 3.078 9.835 -8.980 1025 1HB PHE 95 1HB PHE 95 2.070 7.486 -7.369 1026 2HB PHE 95 2HB PHE 95 1.342 9.088 -7.441 1027 HD1 PHE 95 HD1 PHE 95 0.555 9.905 -9.751 1028 HD2 PHE 95 HD2 PHE 95 1.403 5.836 -8.840 1029 HE1 PHE 95 HE1 PHE 95 -0.802 9.194 -11.675 1030 HE2 PHE 95 HE2 PHE 95 0.049 5.121 -10.759 1031 HZ PHE 95 HZ PHE 95 -1.054 6.799 -12.183 1032 H GLY 96 H GLY 96 5.641 8.314 -7.811 1033 1HA GLY 96 1HA GLY 96 5.765 8.683 -5.068 1034 2HA GLY 96 2HA GLY 96 7.143 8.816 -6.147 1035 HA PRO 97 HA PRO 97 7.458 13.272 -5.918 1036 1HB PRO 97 1HB PRO 97 5.816 13.712 -8.367 1037 2HB PRO 97 2HB PRO 97 7.401 14.366 -7.940 1038 1HG PRO 97 1HG PRO 97 7.186 12.397 -9.710 1039 2HG PRO 97 2HG PRO 97 8.511 12.419 -8.529 1040 1HD PRO 97 1HD PRO 97 6.037 10.753 -8.573 1041 2HD PRO 97 2HD PRO 97 7.671 10.339 -8.019 1042 H MET 98 H MET 98 4.142 12.406 -6.997 1043 HA MET 98 HA MET 98 3.040 14.789 -5.876 1044 1HB MET 98 1HB MET 98 0.865 13.925 -6.434 1045 2HB MET 98 2HB MET 98 1.960 13.609 -7.769 1046 1HG MET 98 1HG MET 98 2.112 11.305 -7.196 1047 2HG MET 98 2HG MET 98 1.248 11.569 -5.683 1048 1HE MET 98 1HE MET 98 -2.358 12.377 -6.890 1049 2HE MET 98 2HE MET 98 -1.066 13.512 -6.498 1050 3HE MET 98 3HE MET 98 -1.315 12.079 -5.500 1051 H TYR 99 H TYR 99 3.543 11.528 -4.689 1052 HA TYR 99 HA TYR 99 1.866 11.693 -2.418 1053 1HB TYR 99 1HB TYR 99 4.412 10.103 -2.808 1054 2HB TYR 99 2HB TYR 99 3.299 9.896 -1.463 1055 HD1 TYR 99 HD1 TYR 99 0.683 9.996 -2.836 1056 HD2 TYR 99 HD2 TYR 99 4.322 8.111 -3.976 1057 HE1 TYR 99 HE1 TYR 99 -0.585 8.341 -4.140 1058 HE2 TYR 99 HE2 TYR 99 3.063 6.456 -5.281 1059 HH TYR 99 HH TYR 99 -0.150 6.836 -6.108 1060 H LYS 100 H LYS 100 5.360 12.254 -2.788 1061 HA LYS 100 HA LYS 100 5.730 13.057 -0.103 1062 1HB LYS 100 1HB LYS 100 7.939 13.854 -0.826 1063 2HB LYS 100 2HB LYS 100 7.604 12.224 -1.393 1064 1HG LYS 100 1HG LYS 100 7.044 13.144 -3.609 1065 2HG LYS 100 2HG LYS 100 7.459 14.755 -3.021 1066 1HD LYS 100 1HD LYS 100 9.339 12.395 -3.123 1067 2HD LYS 100 2HD LYS 100 9.296 13.715 -4.293 1068 1HE LYS 100 1HE LYS 100 9.786 14.103 -1.344 1069 2HE LYS 100 2HE LYS 100 11.075 13.902 -2.528 1070 1HZ LYS 100 1HZ LYS 100 10.365 15.889 -3.645 1071 2HZ LYS 100 2HZ LYS 100 10.606 16.239 -2.001 1072 3HZ LYS 100 3HZ LYS 100 9.034 16.062 -2.607 1073 H ARG 101 H ARG 101 4.886 14.837 -3.018 1074 HA ARG 101 HA ARG 101 5.481 17.394 -1.954 1075 1HB ARG 101 1HB ARG 101 5.125 16.917 -4.399 1076 2HB ARG 101 2HB ARG 101 3.402 16.791 -4.059 1077 1HG ARG 101 1HG ARG 101 3.361 19.092 -3.283 1078 2HG ARG 101 2HG ARG 101 5.094 19.233 -3.577 1079 1HD ARG 101 1HD ARG 101 2.996 18.671 -5.668 1080 2HD ARG 101 2HD ARG 101 3.762 20.232 -5.379 1081 HE ARG 101 HE ARG 101 5.272 17.847 -6.244 1082 1HH1 ARG 101 1HH1 ARG 101 4.557 21.267 -6.445 1083 2HH1 ARG 101 2HH1 ARG 101 5.742 21.575 -7.674 1084 1HH2 ARG 101 1HH2 ARG 101 6.838 18.241 -7.854 1085 2HH2 ARG 101 2HH2 ARG 101 7.027 19.853 -8.491 1086 H ASP 102 H ASP 102 2.388 15.642 -2.295 1087 HA ASP 102 HA ASP 102 0.817 17.577 -0.992 1088 1HB ASP 102 1HB ASP 102 -0.108 15.729 -2.380 1089 2HB ASP 102 2HB ASP 102 0.322 14.591 -1.107 1090 H ARG 103 H ARG 103 2.696 14.867 0.197 1091 HA ARG 103 HA ARG 103 1.791 14.907 2.863 1092 1HB ARG 103 1HB ARG 103 3.089 13.058 1.806 1093 2HB ARG 103 2HB ARG 103 4.516 14.084 1.850 1094 1HG ARG 103 1HG ARG 103 4.387 14.157 4.291 1095 2HG ARG 103 2HG ARG 103 2.959 13.119 4.241 1096 1HD ARG 103 1HD ARG 103 4.278 11.359 3.175 1097 2HD ARG 103 2HD ARG 103 5.703 12.397 3.219 1098 HE ARG 103 HE ARG 103 4.333 11.325 5.610 1099 1HH1 ARG 103 1HH1 ARG 103 7.207 12.470 3.954 1100 2HH1 ARG 103 2HH1 ARG 103 8.276 12.074 5.273 1101 1HH2 ARG 103 1HH2 ARG 103 5.744 10.817 7.353 1102 2HH2 ARG 103 2HH2 ARG 103 7.443 11.155 7.196 1103 H ALA 104 H ALA 104 4.564 16.486 1.292 1104 HA ALA 104 HA ALA 104 5.544 17.781 3.601 1105 1HB ALA 104 1HB ALA 104 5.803 18.635 0.718 1106 2HB ALA 104 2HB ALA 104 6.871 17.510 1.558 1107 3HB ALA 104 3HB ALA 104 6.795 19.198 2.063 1108 H LEU 105 H LEU 105 3.179 18.704 1.171 1109 HA LEU 105 HA LEU 105 2.736 21.345 2.087 1110 1HB LEU 105 1HB LEU 105 0.911 19.472 0.574 1111 2HB LEU 105 2HB LEU 105 0.636 21.192 0.780 1112 HG LEU 105 HG LEU 105 3.063 20.058 -0.606 1113 1HD1 LEU 105 1HD1 LEU 105 0.477 21.044 -1.802 1114 2HD1 LEU 105 2HD1 LEU 105 1.101 19.393 -1.852 1115 3HD1 LEU 105 3HD1 LEU 105 1.949 20.681 -2.705 1116 1HD2 LEU 105 1HD2 LEU 105 3.280 22.330 -1.481 1117 2HD2 LEU 105 2HD2 LEU 105 3.336 22.310 0.282 1118 3HD2 LEU 105 3HD2 LEU 105 1.868 22.826 -0.548 1119 H LYS 106 H LYS 106 1.209 18.246 2.808 1120 HA LYS 106 HA LYS 106 -0.784 19.206 4.553 1121 1HB LYS 106 1HB LYS 106 -0.762 16.945 3.567 1122 2HB LYS 106 2HB LYS 106 0.629 16.537 4.560 1123 1HG LYS 106 1HG LYS 106 -0.697 16.798 6.572 1124 2HG LYS 106 2HG LYS 106 -2.093 17.281 5.605 1125 1HD LYS 106 1HD LYS 106 -2.051 15.100 4.484 1126 2HD LYS 106 2HD LYS 106 -0.682 14.619 5.487 1127 1HE LYS 106 1HE LYS 106 -2.761 13.708 6.363 1128 2HE LYS 106 2HE LYS 106 -2.063 14.871 7.489 1129 1HZ LYS 106 1HZ LYS 106 -4.512 15.065 7.139 1130 2HZ LYS 106 2HZ LYS 106 -4.196 15.567 5.547 1131 3HZ LYS 106 3HZ LYS 106 -3.645 16.495 6.855 1132 H GLN 107 H GLN 107 2.542 18.167 5.072 1133 HA GLN 107 HA GLN 107 2.392 18.547 7.937 1134 1HB GLN 107 1HB GLN 107 4.706 17.848 6.123 1135 2HB GLN 107 2HB GLN 107 4.798 17.907 7.878 1136 1HG GLN 107 1HG GLN 107 3.163 16.119 8.044 1137 2HG GLN 107 2HG GLN 107 3.008 16.082 6.289 1138 1HE2 GLN 107 1HE2 GLN 107 3.836 13.994 8.165 1139 2HE2 GLN 107 2HE2 GLN 107 5.406 13.487 7.646 1140 H GLN 108 H GLN 108 2.342 20.766 5.685 1141 HA GLN 108 HA GLN 108 4.505 22.489 6.221 1142 1HB GLN 108 1HB GLN 108 2.875 22.672 4.306 1143 2HB GLN 108 2HB GLN 108 1.703 23.311 5.447 1144 1HG GLN 108 1HG GLN 108 2.738 25.109 4.227 1145 2HG GLN 108 2HG GLN 108 3.205 25.187 5.925 1146 1HE2 GLN 108 1HE2 GLN 108 5.007 26.444 5.373 1147 2HE2 GLN 108 2HE2 GLN 108 6.417 25.748 4.648 1148 H LYS 109 H LYS 109 1.454 21.928 7.831 1149 HA LYS 109 HA LYS 109 1.868 24.064 9.744 1150 1HB LYS 109 1HB LYS 109 -0.188 21.854 9.583 1151 2HB LYS 109 2HB LYS 109 -0.151 23.062 10.859 1152 1HG LYS 109 1HG LYS 109 -0.459 23.667 7.927 1153 2HG LYS 109 2HG LYS 109 -1.785 23.565 9.086 1154 1HD LYS 109 1HD LYS 109 0.526 25.505 9.218 1155 2HD LYS 109 2HD LYS 109 -1.109 25.888 8.676 1156 1HE LYS 109 1HE LYS 109 -1.936 25.187 10.925 1157 2HE LYS 109 2HE LYS 109 -0.256 25.021 11.435 1158 1HZ LYS 109 1HZ LYS 109 0.063 27.386 10.887 1159 2HZ LYS 109 2HZ LYS 109 -1.096 27.156 12.101 1160 3HZ LYS 109 3HZ LYS 109 -1.589 27.514 10.519 1161 H LYS 110 H LYS 110 2.366 23.771 11.929 1162 HA LYS 110 HA LYS 110 4.234 21.690 12.437 1163 1HB LYS 110 1HB LYS 110 4.249 24.041 13.415 1164 2HB LYS 110 2HB LYS 110 2.982 23.488 14.505 1165 1HG LYS 110 1HG LYS 110 5.182 23.411 15.557 1166 2HG LYS 110 2HG LYS 110 4.468 21.803 15.419 1167 1HD LYS 110 1HD LYS 110 6.820 21.730 14.823 1168 2HD LYS 110 2HD LYS 110 5.821 21.391 13.409 1169 1HE LYS 110 1HE LYS 110 6.070 23.781 12.745 1170 2HE LYS 110 2HE LYS 110 7.202 23.987 14.082 1171 1HZ LYS 110 1HZ LYS 110 7.524 22.186 11.744 1172 2HZ LYS 110 2HZ LYS 110 8.577 22.222 13.074 1173 3HZ LYS 110 3HZ LYS 110 8.419 23.588 12.079 1174 H ALA 111 H ALA 111 3.798 19.693 12.993 1175 HA ALA 111 HA ALA 111 1.749 19.101 14.938 1176 1HB ALA 111 1HB ALA 111 1.615 17.884 12.177 1177 2HB ALA 111 2HB ALA 111 0.479 19.058 12.841 1178 3HB ALA 111 3HB ALA 111 0.600 17.448 13.551 Start of MODEL 15 1 1H5* G 1 1H5* G 1 28.674 1.373 -1.530 2 2H5* G 1 2H5* G 1 28.637 -0.343 -1.083 3 H4* G 1 H4* G 1 28.485 0.930 0.901 4 H3* G 1 H3* G 1 26.672 -1.013 0.432 5 H1* G 1 H1* G 1 25.455 2.546 1.575 6 H8 G 1 H8 G 1 24.596 1.509 -2.029 7 H1 G 1 H1 G 1 22.766 7.430 -0.357 8 1H2 G 1 1H2 G 1 23.518 7.921 1.649 9 2H2 G 1 2H2 G 1 24.473 6.798 2.592 10 H5T G 1 H5T G 1 26.155 0.229 -1.457 11 1H2* G 1 1H2* G 1 24.844 0.285 -0.357 12 2H2* G 1 2H2* G 1 24.525 0.387 1.369 13 1H5* G 2 1H5* G 2 26.719 0.912 4.506 14 2H5* G 2 2H5* G 2 26.207 0.034 5.961 15 H4* G 2 H4* G 2 25.425 2.314 6.013 16 H3* G 2 H3* G 2 23.777 0.155 6.528 17 H1* G 2 H1* G 2 22.744 3.305 4.503 18 H8 G 2 H8 G 2 23.142 0.112 2.331 19 H1 G 2 H1 G 2 20.125 5.050 -0.451 20 1H2 G 2 1H2 G 2 20.013 6.754 0.948 21 2H2 G 2 2H2 G 2 20.684 6.681 2.563 22 1H2* G 2 1H2* G 2 22.372 0.279 4.632 23 2H2* G 2 2H2* G 2 21.588 1.528 5.590 24 1H5* C 3 1H5* C 3 22.227 4.276 8.153 25 2H5* C 3 2H5* C 3 21.188 4.140 9.586 26 H4* C 3 H4* C 3 20.290 5.696 7.948 27 H3* C 3 H3* C 3 18.779 3.672 9.169 28 H1* C 3 H1* C 3 18.501 5.032 5.586 29 1H4 C 3 1H4 C 3 18.489 1.028 0.680 30 2H4 C 3 2H4 C 3 19.420 -0.162 1.560 31 H5 C 3 H5 C 3 20.114 0.150 3.861 32 H6 C 3 H6 C 3 20.055 1.662 5.774 33 1H2* C 3 1H2* C 3 18.211 2.463 7.222 34 2H2* C 3 2H2* C 3 17.046 3.766 7.027 35 1H5* T 4 1H5* T 4 16.949 7.575 7.951 36 2H5* T 4 2H5* T 4 15.707 8.317 8.983 37 H4* T 4 H4* T 4 15.135 8.761 6.733 38 H3* T 4 H3* T 4 13.324 7.437 8.380 39 1H2* T 4 1H2* T 4 13.314 5.351 7.252 40 2H2* T 4 2H2* T 4 12.185 6.208 6.213 41 H1* T 4 H1* T 4 13.908 6.827 4.635 42 H3 T 4 H3 T 4 14.505 3.100 2.253 43 1H5M T 4 1H5M T 4 16.183 2.085 7.286 44 2H5M T 4 2H5M T 4 15.166 0.851 6.502 45 3H5M T 4 3H5M T 4 16.810 1.166 5.898 46 H6 T 4 H6 T 4 15.231 4.162 6.849 47 1H5* C 5 1H5* C 5 12.478 8.887 4.218 48 2H5* C 5 2H5* C 5 11.156 10.067 4.331 49 H4* C 5 H4* C 5 11.185 9.293 2.110 50 H3* C 5 H3* C 5 8.864 9.153 3.434 51 H1* C 5 H1* C 5 10.110 6.051 1.481 52 1H4 C 5 1H4 C 5 11.994 0.828 4.511 53 2H4 C 5 2H4 C 5 11.979 1.637 6.063 54 H5 C 5 H5 C 5 11.396 3.973 6.324 55 H6 C 5 H6 C 5 10.710 6.000 5.153 56 1H2* C 5 1H2* C 5 9.040 6.885 4.215 57 2H2* C 5 2H2* C 5 8.147 6.657 2.720 58 1H5* A 6 1H5* A 6 8.048 8.105 -1.441 59 2H5* A 6 2H5* A 6 6.316 8.454 -1.621 60 H4* A 6 H4* A 6 7.086 6.399 -2.772 61 H3* A 6 H3* A 6 4.698 6.709 -1.365 62 H1* A 6 H1* A 6 6.930 3.615 -1.558 63 H8 A 6 H8 A 6 7.268 5.182 1.984 64 1H6 A 6 1H6 A 6 9.143 -0.452 3.725 65 2H6 A 6 2H6 A 6 8.847 1.191 4.249 66 H2 A 6 H2 A 6 8.129 -0.610 -0.646 67 1H2* A 6 1H2* A 6 5.174 5.190 0.397 68 2H2* A 6 2H2* A 6 4.663 4.021 -0.813 69 1H5* G 7 1H5* G 7 6.095 2.682 -2.967 70 2H5* G 7 2H5* G 7 5.087 2.689 -4.429 71 H4* G 7 H4* G 7 5.573 0.453 -4.097 72 H3* G 7 H3* G 7 2.879 1.187 -3.726 73 H1* G 7 H1* G 7 4.929 -1.510 -1.850 74 H8 G 7 H8 G 7 3.595 1.352 0.409 75 H1 G 7 H1 G 7 6.296 -3.623 3.441 76 1H2 G 7 1H2 G 7 7.054 -5.079 1.963 77 2H2 G 7 2H2 G 7 6.900 -4.815 0.239 78 1H2* G 7 1H2* G 7 2.623 0.464 -1.504 79 2H2* G 7 2H2* G 7 2.602 -1.138 -2.231 80 1H5* G 8 1H5* G 8 3.903 -2.733 -5.928 81 2H5* G 8 2H5* G 8 2.696 -3.481 -6.995 82 H4* G 8 H4* G 8 3.705 -5.155 -5.615 83 H3* G 8 H3* G 8 0.929 -4.831 -5.744 84 H1* G 8 H1* G 8 3.032 -5.810 -2.639 85 H8 G 8 H8 G 8 1.438 -2.279 -2.402 86 H1 G 8 H1 G 8 3.307 -4.881 3.161 87 1H2 G 8 1H2 G 8 4.222 -6.862 2.797 88 2H2 G 8 2H2 G 8 4.363 -7.543 1.192 89 1H2* G 8 1H2* G 8 0.522 -4.292 -3.489 90 2H2* G 8 2H2* G 8 0.738 -6.021 -3.253 91 1H5* G 9 1H5* G 9 3.673 -7.882 -3.383 92 2H5* G 9 2H5* G 9 3.134 -9.266 -4.357 93 H4* G 9 H4* G 9 4.126 -10.102 -2.369 94 H3* G 9 H3* G 9 1.712 -11.008 -3.088 95 H1* G 9 H1* G 9 2.250 -9.803 0.575 96 H8 G 9 H8 G 9 0.646 -7.073 -1.679 97 H1 G 9 H1 G 9 0.298 -6.070 4.652 98 1H2 G 9 1H2 G 9 1.260 -7.730 5.740 99 2H2 G 9 2H2 G 9 1.988 -9.089 4.912 100 1H2* G 9 1H2* G 9 0.348 -9.524 -1.788 101 2H2* G 9 2H2* G 9 0.516 -10.869 -0.667 102 1H5* C 10 1H5* C 10 2.817 -11.887 1.112 103 2H5* C 10 2H5* C 10 3.236 -13.612 1.169 104 H4* C 10 H4* C 10 2.590 -13.318 3.311 105 H3* C 10 H3* C 10 0.714 -14.738 1.921 106 H1* C 10 H1* C 10 -0.222 -11.891 4.402 107 1H4 C 10 1H4 C 10 -3.293 -6.804 2.220 108 2H4 C 10 2H4 C 10 -3.065 -7.295 0.554 109 H5 C 10 H5 C 10 -1.850 -9.295 -0.073 110 H6 C 10 H6 C 10 -0.628 -11.230 0.766 111 1H2* C 10 1H2* C 10 -0.950 -13.061 1.682 112 2H2* C 10 2H2* C 10 -1.387 -13.641 3.283 113 1H5* C 11 1H5* C 11 0.500 -14.009 6.021 114 2H5* C 11 2H5* C 11 0.686 -15.304 7.222 115 H4* C 11 H4* C 11 -0.478 -13.850 8.480 116 H3* C 11 H3* C 11 -2.191 -15.843 7.465 117 H1* C 11 H1* C 11 -2.993 -12.052 7.990 118 1H4 C 11 1H4 C 11 -5.594 -9.173 2.985 119 2H4 C 11 2H4 C 11 -5.100 -10.460 1.905 120 H5 C 11 H5 C 11 -3.851 -12.406 2.655 121 H6 C 11 H6 C 11 -2.834 -13.491 4.574 122 1H2* C 11 1H2* C 11 -3.728 -14.500 6.338 123 2H2* C 11 2H2* C 11 -4.266 -14.049 7.949 124 1H5* A 12 1H5* A 12 -2.819 -13.247 10.790 125 2H5* A 12 2H5* A 12 -2.667 -14.125 12.327 126 H4* A 12 H4* A 12 -3.653 -12.226 13.064 127 H3* A 12 H3* A 12 -5.356 -14.289 13.238 128 H1* A 12 H1* A 12 -6.587 -10.967 11.537 129 H8 A 12 H8 A 12 -5.363 -13.676 9.035 130 1H6 A 12 1H6 A 12 -8.390 -10.365 4.770 131 2H6 A 12 2H6 A 12 -7.408 -11.784 5.060 132 H2 A 12 H2 A 12 -8.919 -8.337 8.742 133 1H2* A 12 1H2* A 12 -6.580 -13.988 11.213 134 2H2* A 12 2H2* A 12 -7.551 -12.990 12.289 135 1H5* C 13 1H5* C 13 -7.231 -9.903 13.376 136 2H5* C 13 2H5* C 13 -7.307 -10.002 15.147 137 H4* C 13 H4* C 13 -8.888 -8.412 14.704 138 H3* C 13 H3* C 13 -9.955 -10.589 15.795 139 H1* C 13 H1* C 13 -11.546 -9.355 12.373 140 1H4 C 13 1H4 C 13 -10.147 -12.837 7.275 141 2H4 C 13 2H4 C 13 -9.147 -13.921 8.214 142 H5 C 13 H5 C 13 -8.765 -13.636 10.586 143 H6 C 13 H6 C 13 -9.214 -12.226 12.521 144 1H2* C 13 1H2* C 13 -10.574 -11.809 13.846 145 2H2* C 13 2H2* C 13 -12.051 -10.884 14.077 146 1H5* A 14 1H5* A 14 -12.053 -8.194 12.820 147 2H5* A 14 2H5* A 14 -12.389 -7.047 14.131 148 H4* A 14 H4* A 14 -13.687 -6.081 12.598 149 H3* A 14 H3* A 14 -15.323 -7.389 14.261 150 H1* A 14 H1* A 14 -15.696 -8.099 10.371 151 H8 A 14 H8 A 14 -13.814 -10.723 12.518 152 1H6 A 14 1H6 A 14 -13.898 -14.221 7.414 153 2H6 A 14 2H6 A 14 -13.435 -14.146 9.100 154 H2 A 14 H2 A 14 -15.791 -10.268 6.426 155 1H2* A 14 1H2* A 14 -15.637 -9.430 13.083 156 2H2* A 14 2H2* A 14 -16.917 -8.491 12.327 157 1H5* G 15 1H5* G 15 -16.320 -5.981 9.924 158 2H5* G 15 2H5* G 15 -17.412 -4.675 10.432 159 H4* G 15 H4* G 15 -17.858 -5.066 8.156 160 H3* G 15 H3* G 15 -19.931 -5.124 9.812 161 H1* G 15 H1* G 15 -19.452 -8.233 7.467 162 H8 G 15 H8 G 15 -18.420 -8.770 11.152 163 H1 G 15 H1 G 15 -17.632 -13.793 7.229 164 1H2 G 15 1H2 G 15 -18.104 -13.201 5.155 165 2H2 G 15 2H2 G 15 -18.605 -11.579 4.739 166 H3T G 15 H3T G 15 -20.690 -4.491 7.981 167 1H2* G 15 1H2* G 15 -19.944 -7.452 10.359 168 2H2* G 15 2H2* G 15 -21.067 -7.444 9.007 169 1H5* C 16 1H5* C 16 -19.945 -20.551 3.185 170 2H5* C 16 2H5* C 16 -18.316 -21.126 2.784 171 H4* C 16 H4* C 16 -19.377 -19.019 1.624 172 H3* C 16 H3* C 16 -16.900 -19.961 1.470 173 H1* C 16 H1* C 16 -17.366 -16.400 2.917 174 1H4 C 16 1H4 C 16 -16.740 -15.235 9.101 175 2H4 C 16 2H4 C 16 -16.371 -16.908 9.447 176 H5 C 16 H5 C 16 -16.371 -18.632 7.746 177 H6 C 16 H6 C 16 -16.723 -19.097 5.378 178 H5T C 16 H5T C 16 -19.004 -19.413 4.951 179 1H2* C 16 1H2* C 16 -16.083 -19.087 3.570 180 2H2* C 16 2H2* C 16 -15.531 -17.861 2.437 181 1H5* T 17 1H5* T 17 -18.217 -16.053 -0.409 182 2H5* T 17 2H5* T 17 -17.332 -15.525 -1.855 183 H4* T 17 H4* T 17 -18.439 -13.685 -0.665 184 H3* T 17 H3* T 17 -15.987 -13.513 -1.807 185 1H2* T 17 1H2* T 17 -14.673 -13.855 0.170 186 2H2* T 17 2H2* T 17 -14.822 -12.104 0.181 187 H1* T 17 H1* T 17 -16.685 -12.142 1.712 188 H3 T 17 H3 T 17 -14.864 -12.890 5.706 189 1H5M T 17 1H5M T 17 -12.972 -16.875 4.395 190 2H5M T 17 2H5M T 17 -13.319 -16.977 2.651 191 3H5M T 17 3H5M T 17 -14.513 -17.565 3.833 192 H6 T 17 H6 T 17 -15.065 -15.483 1.707 193 1H5* G 18 1H5* G 18 -17.140 -10.233 1.772 194 2H5* G 18 2H5* G 18 -17.728 -9.343 0.351 195 H4* G 18 H4* G 18 -17.300 -7.586 1.693 196 H3* G 18 H3* G 18 -15.459 -7.655 -0.243 197 H1* G 18 H1* G 18 -14.226 -7.355 3.467 198 H8 G 18 H8 G 18 -13.583 -10.739 1.764 199 H1 G 18 H1 G 18 -11.845 -10.376 7.933 200 1H2 G 18 1H2 G 18 -12.507 -8.457 8.792 201 2H2 G 18 2H2 G 18 -13.372 -7.262 7.852 202 1H2* G 18 1H2* G 18 -13.739 -8.877 0.883 203 2H2* G 18 2H2* G 18 -13.271 -7.235 1.306 204 1H5* T 19 1H5* T 19 -15.780 -4.799 2.723 205 2H5* T 19 2H5* T 19 -15.655 -3.029 2.703 206 H4* T 19 H4* T 19 -15.100 -3.807 4.878 207 H3* T 19 H3* T 19 -13.282 -2.243 3.405 208 1H2* T 19 1H2* T 19 -11.483 -3.766 3.385 209 2H2* T 19 2H2* T 19 -11.284 -3.227 5.048 210 H1* T 19 H1* T 19 -12.583 -5.034 5.941 211 H3 T 19 H3 T 19 -9.582 -8.328 5.923 212 1H5M T 19 1H5M T 19 -11.090 -7.498 0.804 213 2H5M T 19 2H5M T 19 -9.345 -7.681 1.107 214 3H5M T 19 3H5M T 19 -10.440 -9.064 1.347 215 H6 T 19 H6 T 19 -11.885 -6.022 2.434 216 1H5* G 20 1H5* G 20 -11.814 -3.729 7.429 217 2H5* G 20 2H5* G 20 -12.353 -2.275 8.294 218 H4* G 20 H4* G 20 -10.631 -2.755 9.632 219 H3* G 20 H3* G 20 -9.851 -0.722 8.049 220 H1* G 20 H1* G 20 -7.536 -3.823 8.507 221 H8 G 20 H8 G 20 -9.019 -3.474 4.968 222 H1 G 20 H1 G 20 -5.505 -8.742 6.024 223 1H2 G 20 1H2 G 20 -4.942 -8.851 8.158 224 2H2 G 20 2H2 G 20 -5.437 -7.634 9.314 225 1H2* G 20 1H2* G 20 -8.675 -1.961 6.382 226 2H2* G 20 2H2* G 20 -7.363 -1.666 7.514 227 1H5* G 21 1H5* G 21 -7.284 -3.217 10.263 228 2H5* G 21 2H5* G 21 -7.120 -2.389 11.825 229 H4* G 21 H4* G 21 -5.537 -3.921 12.171 230 H3* G 21 H3* G 21 -4.293 -1.601 11.533 231 H1* G 21 H1* G 21 -3.209 -4.965 9.974 232 H8 G 21 H8 G 21 -5.111 -2.718 7.446 233 H1 G 21 H1 G 21 -2.426 -8.037 5.057 234 1H2 G 21 1H2 G 21 -1.482 -9.201 6.675 235 2H2 G 21 2H2 G 21 -1.511 -8.673 8.343 236 1H2* G 21 1H2* G 21 -3.817 -2.066 9.235 237 2H2* G 21 2H2* G 21 -2.369 -2.720 9.987 238 1H5* C 22 1H5* C 22 -2.021 -4.943 12.510 239 2H5* C 22 2H5* C 22 -0.996 -5.149 13.946 240 H4* C 22 H4* C 22 0.259 -6.355 12.559 241 H3* C 22 H3* C 22 1.330 -3.757 12.631 242 H1* C 22 H1* C 22 1.119 -6.196 9.653 243 1H4 C 22 1H4 C 22 -1.364 -4.196 4.186 244 2H4 C 22 2H4 C 22 -2.087 -2.800 4.941 245 H5 C 22 H5 C 22 -1.881 -2.329 7.307 246 H6 C 22 H6 C 22 -0.957 -3.121 9.420 247 1H2* C 22 1H2* C 22 1.051 -3.220 10.353 248 2H2* C 22 2H2* C 22 2.451 -4.265 10.153 249 1H5* C 23 1H5* C 23 2.058 -7.109 9.883 250 2H5* C 23 2H5* C 23 2.997 -7.781 11.232 251 H4* C 23 H4* C 23 3.479 -9.289 9.600 252 H3* C 23 H3* C 23 5.660 -7.955 10.270 253 H1* C 23 H1* C 23 4.695 -7.812 6.408 254 1H4 C 23 1H4 C 23 2.192 -2.331 4.483 255 2H4 C 23 2H4 C 23 1.964 -1.776 6.124 256 H5 C 23 H5 C 23 2.575 -3.100 8.057 257 H6 C 23 H6 C 23 3.511 -5.225 8.803 258 1H2* C 23 1H2* C 23 5.551 -6.120 8.750 259 2H2* C 23 2H2* C 23 6.497 -7.240 7.780 260 1H5* C 24 1H5* C 24 7.381 -11.384 6.654 261 2H5* C 24 2H5* C 24 9.024 -11.391 7.330 262 H4* C 24 H4* C 24 8.783 -11.287 4.804 263 H3* C 24 H3* C 24 10.837 -10.400 6.305 264 H1* C 24 H1* C 24 9.197 -8.104 3.679 265 1H4 C 24 1H4 C 24 5.937 -2.939 5.353 266 2H4 C 24 2H4 C 24 6.260 -3.213 7.051 267 H5 C 24 H5 C 24 7.468 -5.153 7.865 268 H6 C 24 H6 C 24 8.604 -7.212 7.218 269 1H2* C 24 1H2* C 24 10.108 -8.135 6.594 270 2H2* C 24 2H2* C 24 11.092 -7.974 5.146 271 1H5* T 25 1H5* T 25 9.215 -8.447 2.372 272 2H5* T 25 2H5* T 25 10.074 -9.931 1.915 273 H4* T 25 H4* T 25 9.824 -9.123 -0.150 274 H3* T 25 H3* T 25 12.373 -8.700 0.535 275 1H2* T 25 1H2* T 25 12.271 -6.457 1.320 276 2H2* T 25 2H2* T 25 12.530 -6.133 -0.389 277 H1* T 25 H1* T 25 10.289 -5.596 -0.793 278 H3 T 25 H3 T 25 8.849 -2.039 1.468 279 1H5M T 25 1H5M T 25 9.947 -5.306 5.320 280 2H5M T 25 2H5M T 25 11.610 -4.758 5.002 281 3H5M T 25 3H5M T 25 10.364 -3.584 5.487 282 H6 T 25 H6 T 25 10.930 -6.116 2.814 283 1H5* G 26 1H5* G 26 10.965 -6.595 -2.727 284 2H5* G 26 2H5* G 26 11.587 -6.827 -4.372 285 H4* G 26 H4* G 26 11.057 -4.628 -4.455 286 H3* G 26 H3* G 26 13.839 -5.007 -4.205 287 H1* G 26 H1* G 26 11.620 -2.200 -2.814 288 H8 G 26 H8 G 26 12.918 -4.446 0.072 289 H1 G 26 H1 G 26 11.223 1.534 1.684 290 1H2 G 26 1H2 G 26 10.579 2.643 -0.108 291 2H2 G 26 2H2 G 26 10.564 1.917 -1.701 292 1H2* G 26 1H2* G 26 14.142 -3.820 -2.188 293 2H2* G 26 2H2* G 26 13.981 -2.419 -3.237 294 1H5* A 27 1H5* A 27 11.776 -1.597 -5.844 295 2H5* A 27 2H5* A 27 12.103 -1.382 -7.576 296 H4* A 27 H4* A 27 11.239 0.658 -7.006 297 H3* A 27 H3* A 27 13.801 0.799 -7.777 298 H1* A 27 H1* A 27 12.751 2.569 -4.438 299 H8 A 27 H8 A 27 14.223 -0.991 -3.915 300 1H6 A 27 1H6 A 27 15.161 0.807 1.924 301 2H6 A 27 2H6 A 27 15.326 -0.503 0.774 302 H2 A 27 H2 A 27 13.296 4.236 -0.302 303 1H2* A 27 1H2* A 27 14.873 0.758 -5.645 304 2H2* A 27 2H2* A 27 14.656 2.495 -5.830 305 1H5* G 28 1H5* G 28 12.606 3.986 -4.608 306 2H5* G 28 2H5* G 28 11.794 4.642 -6.046 307 H4* G 28 H4* G 28 11.815 6.542 -4.862 308 H3* G 28 H3* G 28 13.663 6.839 -6.712 309 H1* G 28 H1* G 28 15.023 7.112 -2.944 310 H8 G 28 H8 G 28 15.505 3.853 -4.951 311 H1 G 28 H1 G 28 17.534 3.730 1.140 312 1H2 G 28 1H2 G 28 17.004 5.626 2.145 313 2H2 G 28 2H2 G 28 16.147 6.909 1.319 314 1H2* G 28 1H2* G 28 15.572 5.905 -5.636 315 2H2* G 28 2H2* G 28 15.752 7.570 -5.104 316 1H5* C 29 1H5* C 29 13.773 9.536 -3.348 317 2H5* C 29 2H5* C 29 14.026 11.288 -3.480 318 H4* C 29 H4* C 29 15.122 10.597 -1.525 319 H3* C 29 H3* C 29 16.660 11.760 -3.569 320 H1* C 29 H1* C 29 17.627 9.043 -1.057 321 1H4 C 29 1H4 C 29 20.204 3.568 -2.925 322 2H4 C 29 2H4 C 29 19.587 3.749 -4.552 323 H5 C 29 H5 C 29 18.287 5.669 -5.262 324 H6 C 29 H6 C 29 17.324 7.795 -4.557 325 1H2* C 29 1H2* C 29 18.099 9.919 -3.955 326 2H2* C 29 2H2* C 29 18.879 10.521 -2.497 327 1H5* C 30 1H5* C 30 18.046 12.274 0.932 328 2H5* C 30 2H5* C 30 17.966 14.041 1.076 329 H4* C 30 H4* C 30 19.540 13.412 2.652 330 H3* C 30 H3* C 30 20.428 15.089 0.767 331 H1* C 30 H1* C 30 22.516 11.703 1.305 332 1H4 C 30 1H4 C 30 21.496 7.490 -3.337 333 2H4 C 30 2H4 C 30 20.735 8.713 -4.330 334 H5 C 30 H5 C 30 20.372 10.980 -3.576 335 H6 C 30 H6 C 30 20.611 12.522 -1.705 336 H3T C 30 H3T C 30 21.965 13.891 2.834 337 1H2* C 30 1H2* C 30 21.511 13.647 -0.749 338 2H2* C 30 2H2* C 30 22.840 13.809 0.390 339 1H ASP 10 1H ASP 10 -8.613 17.108 10.531 340 HA ASP 10 HA ASP 10 -8.265 14.881 10.546 341 1HB ASP 10 1HB ASP 10 -10.128 14.735 12.125 342 2HB ASP 10 2HB ASP 10 -11.273 14.683 10.790 343 H GLU 11 H GLU 11 -7.404 14.653 8.574 344 HA GLU 11 HA GLU 11 -8.921 14.666 6.168 345 1HB GLU 11 1HB GLU 11 -6.203 13.451 6.624 346 2HB GLU 11 2HB GLU 11 -6.898 13.878 5.080 347 1HG GLU 11 1HG GLU 11 -6.161 15.808 7.257 348 2HG GLU 11 2HG GLU 11 -5.253 15.499 5.778 349 H LEU 12 H LEU 12 -9.846 13.067 5.079 350 HA LEU 12 HA LEU 12 -9.661 10.346 6.154 351 1HB LEU 12 1HB LEU 12 -12.190 11.854 5.489 352 2HB LEU 12 2HB LEU 12 -12.131 10.120 5.737 353 HG LEU 12 HG LEU 12 -11.432 12.199 7.814 354 1HD1 LEU 12 1HD1 LEU 12 -13.813 12.176 7.295 355 2HD1 LEU 12 2HD1 LEU 12 -13.508 11.495 8.893 356 3HD1 LEU 12 3HD1 LEU 12 -13.857 10.429 7.533 357 1HD2 LEU 12 1HD2 LEU 12 -10.178 10.131 8.112 358 2HD2 LEU 12 2HD2 LEU 12 -11.671 9.197 8.010 359 3HD2 LEU 12 3HD2 LEU 12 -11.410 10.300 9.362 360 H CYS 13 H CYS 13 -10.171 8.695 4.682 361 HA CYS 13 HA CYS 13 -9.409 9.167 1.989 362 1HB CYS 13 1HB CYS 13 -8.974 7.023 3.020 363 2HB CYS 13 2HB CYS 13 -10.684 6.788 3.355 364 HG CYS 13 HG CYS 13 -9.851 5.055 1.303 365 HA PRO 14 HA PRO 14 -13.441 10.691 0.809 366 1HB PRO 14 1HB PRO 14 -12.852 11.089 -1.824 367 2HB PRO 14 2HB PRO 14 -12.377 12.204 -0.538 368 1HG PRO 14 1HG PRO 14 -10.764 10.090 -1.907 369 2HG PRO 14 2HG PRO 14 -10.290 11.733 -1.440 370 1HD PRO 14 1HD PRO 14 -9.595 9.551 0.001 371 2HD PRO 14 2HD PRO 14 -9.899 11.132 0.750 372 H VAL 15 H VAL 15 -11.953 7.808 -0.113 373 HA VAL 15 HA VAL 15 -13.992 6.924 -1.945 374 HB VAL 15 HB VAL 15 -11.875 5.316 -0.498 375 1HG1 VAL 15 1HG1 VAL 15 -13.739 3.915 -1.180 376 2HG1 VAL 15 2HG1 VAL 15 -12.326 3.590 -2.185 377 3HG1 VAL 15 3HG1 VAL 15 -13.653 4.568 -2.817 378 1HG2 VAL 15 1HG2 VAL 15 -10.686 5.350 -2.632 379 2HG2 VAL 15 2HG2 VAL 15 -10.910 6.976 -1.986 380 3HG2 VAL 15 3HG2 VAL 15 -11.931 6.403 -3.305 381 H CYS 16 H CYS 16 -12.987 5.767 1.278 382 HA CYS 16 HA CYS 16 -15.665 4.582 1.570 383 1HB CYS 16 1HB CYS 16 -14.475 3.035 3.178 384 2HB CYS 16 2HB CYS 16 -13.999 2.890 1.487 385 HG CYS 16 HG CYS 16 -12.009 3.088 3.917 386 H GLY 17 H GLY 17 -13.435 6.806 2.999 387 1HA GLY 17 1HA GLY 17 -14.125 8.373 4.644 388 2HA GLY 17 2HA GLY 17 -15.326 7.217 5.198 389 H ASP 18 H ASP 18 -12.330 5.741 4.664 390 HA ASP 18 HA ASP 18 -11.865 5.400 7.484 391 1HB ASP 18 1HB ASP 18 -10.356 4.478 5.038 392 2HB ASP 18 2HB ASP 18 -9.742 4.219 6.666 393 H LYS 19 H LYS 19 -9.638 5.762 8.394 394 HA LYS 19 HA LYS 19 -8.914 8.504 8.081 395 1HB LYS 19 1HB LYS 19 -7.455 6.285 9.533 396 2HB LYS 19 2HB LYS 19 -7.158 8.009 9.722 397 1HG LYS 19 1HG LYS 19 -9.409 8.306 10.613 398 2HG LYS 19 2HG LYS 19 -9.717 6.580 10.416 399 1HD LYS 19 1HD LYS 19 -7.854 6.103 11.961 400 2HD LYS 19 2HD LYS 19 -7.631 7.838 12.195 401 1HE LYS 19 1HE LYS 19 -9.925 7.998 13.059 402 2HE LYS 19 2HE LYS 19 -10.113 6.257 12.858 403 1HZ LYS 19 1HZ LYS 19 -8.184 7.622 14.658 404 2HZ LYS 19 2HZ LYS 19 -8.261 5.948 14.420 405 3HZ LYS 19 3HZ LYS 19 -9.567 6.765 15.131 406 H VAL 20 H VAL 20 -7.130 9.407 7.102 407 HA VAL 20 HA VAL 20 -6.166 8.045 4.808 408 HB VAL 20 HB VAL 20 -4.706 10.020 4.465 409 1HG1 VAL 20 1HG1 VAL 20 -7.579 10.640 5.132 410 2HG1 VAL 20 2HG1 VAL 20 -6.978 9.992 3.605 411 3HG1 VAL 20 3HG1 VAL 20 -6.523 11.618 4.114 412 1HG2 VAL 20 1HG2 VAL 20 -5.916 10.975 7.062 413 2HG2 VAL 20 2HG2 VAL 20 -4.938 11.951 5.966 414 3HG2 VAL 20 3HG2 VAL 20 -4.223 10.564 6.789 415 H SER 21 H SER 21 -4.157 7.289 4.296 416 HA SER 21 HA SER 21 -2.287 6.921 6.539 417 1HB SER 21 1HB SER 21 -2.505 5.256 4.014 418 2HB SER 21 2HB SER 21 -1.547 4.891 5.451 419 HG SER 21 HG SER 21 -3.961 5.212 6.345 420 H GLY 22 H GLY 22 -2.732 9.075 4.384 421 1HA GLY 22 1HA GLY 22 -0.999 10.647 3.841 422 2HA GLY 22 2HA GLY 22 0.103 9.294 3.632 423 H TYR 23 H TYR 23 0.369 10.787 1.624 424 HA TYR 23 HA TYR 23 -1.549 10.323 -0.483 425 1HB TYR 23 1HB TYR 23 1.232 11.520 -0.503 426 2HB TYR 23 2HB TYR 23 0.210 11.395 -1.929 427 HD1 TYR 23 HD1 TYR 23 0.585 13.025 1.359 428 HD2 TYR 23 HD2 TYR 23 -1.571 12.935 -2.307 429 HE1 TYR 23 HE1 TYR 23 -0.434 15.193 1.910 430 HE2 TYR 23 HE2 TYR 23 -2.596 15.103 -1.764 431 HH TYR 23 HH TYR 23 -3.086 16.470 0.181 432 H HIS 24 H HIS 24 -1.639 8.511 -1.662 433 HA HIS 24 HA HIS 24 0.832 7.051 -2.206 434 1HB HIS 24 1HB HIS 24 -1.620 5.753 -1.000 435 2HB HIS 24 2HB HIS 24 -0.250 4.873 -1.668 436 HD1 HIS 24 HD1 HIS 24 2.139 5.557 -0.431 437 HD2 HIS 24 HD2 HIS 24 -1.401 6.221 1.647 438 HE1 HIS 24 HE1 HIS 24 2.805 5.787 1.988 439 HE2 HIS 24 HE2 HIS 24 0.667 6.385 3.192 440 H TYR 25 H TYR 25 -2.686 6.614 -2.680 441 HA TYR 25 HA TYR 25 -2.071 6.017 -5.478 442 1HB TYR 25 1HB TYR 25 -4.499 5.408 -3.793 443 2HB TYR 25 2HB TYR 25 -4.457 5.160 -5.536 444 HD1 TYR 25 HD1 TYR 25 -3.674 3.143 -6.399 445 HD2 TYR 25 HD2 TYR 25 -2.660 4.216 -2.412 446 HE1 TYR 25 HE1 TYR 25 -2.650 0.932 -6.072 447 HE2 TYR 25 HE2 TYR 25 -1.635 2.012 -2.074 448 HH TYR 25 HH TYR 25 -0.863 -0.064 -4.561 449 H GLY 26 H GLY 26 -1.674 8.372 -5.653 450 1HA GLY 26 1HA GLY 26 -2.368 10.071 -7.078 451 2HA GLY 26 2HA GLY 26 -4.017 9.482 -6.951 452 H LEU 27 H LEU 27 -3.778 9.527 -3.943 453 HA LEU 27 HA LEU 27 -3.416 12.266 -3.211 454 1HB LEU 27 1HB LEU 27 -5.711 12.852 -2.758 455 2HB LEU 27 2HB LEU 27 -5.552 12.427 -4.451 456 HG LEU 27 HG LEU 27 -6.510 10.381 -2.473 457 1HD1 LEU 27 1HD1 LEU 27 -8.212 12.452 -3.850 458 2HD1 LEU 27 2HD1 LEU 27 -7.900 12.350 -2.117 459 3HD1 LEU 27 3HD1 LEU 27 -8.803 11.071 -2.927 460 1HD2 LEU 27 1HD2 LEU 27 -5.927 9.675 -4.757 461 2HD2 LEU 27 2HD2 LEU 27 -7.092 10.833 -5.400 462 3HD2 LEU 27 3HD2 LEU 27 -7.645 9.479 -4.418 463 H LEU 28 H LEU 28 -5.181 12.367 -1.059 464 HA LEU 28 HA LEU 28 -3.947 10.839 0.941 465 1HB LEU 28 1HB LEU 28 -6.620 12.240 0.878 466 2HB LEU 28 2HB LEU 28 -6.005 11.444 2.306 467 HG LEU 28 HG LEU 28 -5.557 13.718 2.621 468 1HD1 LEU 28 1HD1 LEU 28 -3.679 12.308 3.207 469 2HD1 LEU 28 2HD1 LEU 28 -3.120 13.877 2.624 470 3HD1 LEU 28 3HD1 LEU 28 -3.030 12.462 1.574 471 1HD2 LEU 28 1HD2 LEU 28 -4.349 13.831 -0.134 472 2HD2 LEU 28 2HD2 LEU 28 -4.516 15.170 1.001 473 3HD2 LEU 28 3HD2 LEU 28 -5.952 14.422 0.302 474 H THR 29 H THR 29 -3.988 8.688 0.996 475 HA THR 29 HA THR 29 -6.556 7.344 0.539 476 HB THR 29 HB THR 29 -4.974 5.497 -0.525 477 HG1 THR 29 HG1 THR 29 -3.626 7.976 -0.954 478 1HG2 THR 29 1HG2 THR 29 -5.934 7.961 -1.991 479 2HG2 THR 29 2HG2 THR 29 -6.885 6.516 -1.645 480 3HG2 THR 29 3HG2 THR 29 -5.510 6.423 -2.744 481 H CYS 30 H CYS 30 -6.801 5.329 1.567 482 HA CYS 30 HA CYS 30 -5.096 5.058 3.939 483 1HB CYS 30 1HB CYS 30 -7.061 3.796 4.863 484 2HB CYS 30 2HB CYS 30 -7.390 5.487 4.496 485 HG CYS 30 HG CYS 30 -9.161 3.000 3.646 486 H GLU 31 H GLU 31 -4.541 2.948 4.685 487 HA GLU 31 HA GLU 31 -3.596 1.216 2.685 488 1HB GLU 31 1HB GLU 31 -2.587 1.440 4.926 489 2HB GLU 31 2HB GLU 31 -3.994 0.663 5.631 490 1HG GLU 31 1HG GLU 31 -2.210 -0.924 5.486 491 2HG GLU 31 2HG GLU 31 -3.475 -1.376 4.345 492 H SER 32 H SER 32 -6.677 1.365 4.283 493 HA SER 32 HA SER 32 -7.429 -1.336 3.857 494 1HB SER 32 1HB SER 32 -9.762 -0.489 4.217 495 2HB SER 32 2HB SER 32 -8.631 -0.045 5.494 496 HG SER 32 HG SER 32 -10.030 1.684 4.733 497 H CYS 33 H CYS 33 -8.008 1.645 1.979 498 HA CYS 33 HA CYS 33 -9.251 0.229 -0.182 499 1HB CYS 33 1HB CYS 33 -8.148 3.026 0.054 500 2HB CYS 33 2HB CYS 33 -8.825 2.401 -1.446 501 HG CYS 33 HG CYS 33 -10.926 3.767 -0.606 502 H LYS 34 H LYS 34 -6.017 1.358 0.575 503 HA LYS 34 HA LYS 34 -4.723 0.761 -1.819 504 1HB LYS 34 1HB LYS 34 -3.597 1.951 -0.056 505 2HB LYS 34 2HB LYS 34 -3.783 0.598 1.047 506 1HG LYS 34 1HG LYS 34 -2.263 -0.730 -0.343 507 2HG LYS 34 2HG LYS 34 -2.058 0.655 -1.419 508 1HD LYS 34 1HD LYS 34 -1.032 1.942 0.294 509 2HD LYS 34 2HD LYS 34 -1.479 0.768 1.532 510 1HE LYS 34 1HE LYS 34 -0.043 -0.871 0.108 511 2HE LYS 34 2HE LYS 34 0.656 0.608 -0.554 512 1HZ LYS 34 1HZ LYS 34 1.909 -0.238 1.355 513 2HZ LYS 34 2HZ LYS 34 0.532 -0.081 2.337 514 3HZ LYS 34 3HZ LYS 34 1.257 1.295 1.670 515 H GLY 35 H GLY 35 -5.271 -1.303 1.029 516 1HA GLY 35 1HA GLY 35 -4.180 -3.667 -0.009 517 2HA GLY 35 2HA GLY 35 -5.402 -3.576 1.253 518 H PHE 36 H PHE 36 -7.552 -2.528 -0.027 519 HA PHE 36 HA PHE 36 -8.659 -4.722 -1.359 520 1HB PHE 36 1HB PHE 36 -10.078 -3.107 -0.257 521 2HB PHE 36 2HB PHE 36 -9.519 -1.821 -1.322 522 HD1 PHE 36 HD1 PHE 36 -10.739 -1.296 -3.211 523 HD2 PHE 36 HD2 PHE 36 -11.255 -5.114 -1.405 524 HE1 PHE 36 HE1 PHE 36 -12.577 -1.781 -4.771 525 HE2 PHE 36 HE2 PHE 36 -13.095 -5.606 -2.961 526 HZ PHE 36 HZ PHE 36 -13.758 -3.938 -4.646 527 H PHE 37 H PHE 37 -7.268 -1.730 -2.629 528 HA PHE 37 HA PHE 37 -7.841 -2.167 -5.343 529 1HB PHE 37 1HB PHE 37 -6.924 -0.059 -4.114 530 2HB PHE 37 2HB PHE 37 -5.343 -0.771 -4.416 531 HD1 PHE 37 HD1 PHE 37 -4.301 -0.536 -6.499 532 HD2 PHE 37 HD2 PHE 37 -8.428 0.407 -6.075 533 HE1 PHE 37 HE1 PHE 37 -4.306 0.446 -8.755 534 HE2 PHE 37 HE2 PHE 37 -8.442 1.389 -8.329 535 HZ PHE 37 HZ PHE 37 -6.380 1.411 -9.671 536 H LYS 38 H LYS 38 -4.935 -2.888 -3.432 537 HA LYS 38 HA LYS 38 -3.432 -4.220 -5.349 538 1HB LYS 38 1HB LYS 38 -3.642 -4.411 -2.367 539 2HB LYS 38 2HB LYS 38 -2.668 -5.593 -3.229 540 1HG LYS 38 1HG LYS 38 -1.016 -4.138 -3.594 541 2HG LYS 38 2HG LYS 38 -2.125 -2.838 -4.019 542 1HD LYS 38 1HD LYS 38 -0.700 -2.469 -1.961 543 2HD LYS 38 2HD LYS 38 -2.434 -2.227 -1.756 544 1HE LYS 38 1HE LYS 38 -2.625 -4.439 -0.751 545 2HE LYS 38 2HE LYS 38 -0.899 -4.709 -0.993 546 1HZ LYS 38 1HZ LYS 38 -2.106 -2.609 0.745 547 2HZ LYS 38 2HZ LYS 38 -0.453 -2.839 0.491 548 3HZ LYS 38 3HZ LYS 38 -1.353 -4.029 1.275 549 H ARG 39 H ARG 39 -5.868 -5.556 -3.126 550 HA ARG 39 HA ARG 39 -5.661 -8.240 -3.838 551 1HB ARG 39 1HB ARG 39 -8.113 -6.696 -2.974 552 2HB ARG 39 2HB ARG 39 -8.002 -8.449 -3.021 553 1HG ARG 39 1HG ARG 39 -6.155 -6.748 -1.378 554 2HG ARG 39 2HG ARG 39 -7.693 -7.363 -0.770 555 1HD ARG 39 1HD ARG 39 -5.511 -9.103 -1.901 556 2HD ARG 39 2HD ARG 39 -5.694 -8.747 -0.184 557 HE ARG 39 HE ARG 39 -8.101 -9.764 -1.307 558 1HH1 ARG 39 1HH1 ARG 39 -4.922 -10.766 -0.259 559 2HH1 ARG 39 2HH1 ARG 39 -5.455 -12.326 0.309 560 1HH2 ARG 39 1HH2 ARG 39 -8.807 -11.822 -0.602 561 2HH2 ARG 39 2HH2 ARG 39 -7.669 -12.930 0.102 562 H THR 40 H THR 40 -7.698 -5.708 -5.227 563 HA THR 40 HA THR 40 -9.073 -7.485 -6.985 564 HB THR 40 HB THR 40 -8.930 -4.468 -7.131 565 HG1 THR 40 HG1 THR 40 -9.693 -4.900 -5.112 566 1HG2 THR 40 1HG2 THR 40 -11.018 -6.433 -8.088 567 2HG2 THR 40 2HG2 THR 40 -9.902 -5.532 -9.113 568 3HG2 THR 40 3HG2 THR 40 -11.135 -4.676 -8.188 569 H VAL 41 H VAL 41 -6.639 -4.915 -7.561 570 HA VAL 41 HA VAL 41 -6.688 -5.281 -10.377 571 HB VAL 41 HB VAL 41 -4.484 -3.973 -8.783 572 1HG1 VAL 41 1HG1 VAL 41 -5.406 -3.549 -11.624 573 2HG1 VAL 41 2HG1 VAL 41 -3.951 -4.415 -11.129 574 3HG1 VAL 41 3HG1 VAL 41 -4.098 -2.686 -10.810 575 1HG2 VAL 41 1HG2 VAL 41 -6.675 -3.043 -8.172 576 2HG2 VAL 41 2HG2 VAL 41 -6.994 -2.704 -9.875 577 3HG2 VAL 41 3HG2 VAL 41 -5.672 -1.882 -9.042 578 H GLN 42 H GLN 42 -4.494 -6.442 -7.837 579 HA GLN 42 HA GLN 42 -2.520 -7.414 -9.628 580 1HB GLN 42 1HB GLN 42 -3.110 -8.110 -6.760 581 2HB GLN 42 2HB GLN 42 -1.722 -8.708 -7.653 582 1HG GLN 42 1HG GLN 42 -2.337 -5.810 -7.127 583 2HG GLN 42 2HG GLN 42 -1.190 -6.786 -6.215 584 1HE2 GLN 42 1HE2 GLN 42 0.513 -5.462 -6.723 585 2HE2 GLN 42 2HE2 GLN 42 1.218 -5.404 -8.302 586 H ASN 43 H ASN 43 -5.328 -8.876 -8.132 587 HA ASN 43 HA ASN 43 -4.714 -11.456 -9.314 588 1HB ASN 43 1HB ASN 43 -6.996 -10.491 -7.590 589 2HB ASN 43 2HB ASN 43 -6.951 -12.103 -8.294 590 1HD2 ASN 43 1HD2 ASN 43 -5.652 -9.982 -5.898 591 2HD2 ASN 43 2HD2 ASN 43 -4.731 -11.178 -5.037 592 H ASN 44 H ASN 44 -5.593 -8.758 -10.634 593 HA ASN 44 HA ASN 44 -6.862 -8.003 -12.346 594 1HB ASN 44 1HB ASN 44 -6.943 -9.531 -14.340 595 2HB ASN 44 2HB ASN 44 -5.341 -9.280 -13.670 596 1HD2 ASN 44 1HD2 ASN 44 -4.275 -10.963 -12.700 597 2HD2 ASN 44 2HD2 ASN 44 -4.799 -12.614 -12.852 598 H LYS 45 H LYS 45 -8.377 -8.575 -10.297 599 HA LYS 45 HA LYS 45 -10.506 -10.386 -11.028 600 1HB LYS 45 1HB LYS 45 -9.746 -8.860 -8.573 601 2HB LYS 45 2HB LYS 45 -11.360 -9.514 -8.727 602 1HG LYS 45 1HG LYS 45 -10.390 -11.753 -9.086 603 2HG LYS 45 2HG LYS 45 -8.790 -11.056 -8.815 604 1HD LYS 45 1HD LYS 45 -9.316 -10.513 -6.563 605 2HD LYS 45 2HD LYS 45 -11.026 -10.873 -6.809 606 1HE LYS 45 1HE LYS 45 -10.501 -13.224 -7.146 607 2HE LYS 45 2HE LYS 45 -8.780 -12.880 -6.972 608 1HZ LYS 45 1HZ LYS 45 -10.721 -12.256 -4.826 609 2HZ LYS 45 2HZ LYS 45 -9.032 -12.409 -4.712 610 3HZ LYS 45 3HZ LYS 45 -9.996 -13.782 -4.958 611 H HIS 46 H HIS 46 -12.711 -9.778 -10.896 612 HA HIS 46 HA HIS 46 -13.356 -6.965 -11.265 613 1HB HIS 46 1HB HIS 46 -14.650 -7.458 -13.331 614 2HB HIS 46 2HB HIS 46 -12.931 -7.686 -13.546 615 HD1 HIS 46 HD1 HIS 46 -16.087 -9.269 -14.199 616 HD2 HIS 46 HD2 HIS 46 -12.242 -10.526 -13.335 617 HE1 HIS 46 HE1 HIS 46 -15.989 -11.675 -14.935 618 HE2 HIS 46 HE2 HIS 46 -13.720 -12.483 -14.184 619 H TYR 47 H TYR 47 -15.025 -6.559 -9.984 620 HA TYR 47 HA TYR 47 -16.533 -8.808 -8.926 621 1HB TYR 47 1HB TYR 47 -16.365 -5.914 -8.080 622 2HB TYR 47 2HB TYR 47 -17.405 -7.102 -7.301 623 HD1 TYR 47 HD1 TYR 47 -16.393 -9.009 -6.073 624 HD2 TYR 47 HD2 TYR 47 -14.019 -5.843 -7.636 625 HE1 TYR 47 HE1 TYR 47 -14.531 -9.696 -4.622 626 HE2 TYR 47 HE2 TYR 47 -12.151 -6.523 -6.189 627 HH TYR 47 HH TYR 47 -11.761 -7.744 -4.146 628 H THR 48 H THR 48 -18.909 -8.223 -8.370 629 HA THR 48 HA THR 48 -20.172 -6.979 -10.718 630 HB THR 48 HB THR 48 -21.138 -9.554 -9.463 631 HG1 THR 48 HG1 THR 48 -19.265 -10.115 -10.489 632 1HG2 THR 48 1HG2 THR 48 -22.861 -8.225 -10.586 633 2HG2 THR 48 2HG2 THR 48 -22.518 -9.704 -11.484 634 3HG2 THR 48 3HG2 THR 48 -21.870 -8.162 -12.044 635 H CYS 49 H CYS 49 -21.535 -5.446 -10.090 636 HA CYS 49 HA CYS 49 -22.624 -5.541 -7.372 637 1HB CYS 49 1HB CYS 49 -21.522 -3.449 -8.108 638 2HB CYS 49 2HB CYS 49 -22.701 -3.301 -9.407 639 HG CYS 49 HG CYS 49 -22.891 -1.951 -6.547 640 H THR 50 H THR 50 -24.530 -6.489 -7.145 641 HA THR 50 HA THR 50 -26.277 -6.943 -9.365 642 HB THR 50 HB THR 50 -27.812 -7.821 -7.480 643 HG1 THR 50 HG1 THR 50 -26.897 -8.034 -5.492 644 1HG2 THR 50 1HG2 THR 50 -26.503 -9.273 -8.951 645 2HG2 THR 50 2HG2 THR 50 -26.512 -9.893 -7.300 646 3HG2 THR 50 3HG2 THR 50 -25.089 -9.056 -7.920 647 H GLU 51 H GLU 51 -25.793 -4.336 -7.340 648 HA GLU 51 HA GLU 51 -28.549 -3.418 -7.330 649 1HB GLU 51 1HB GLU 51 -26.031 -2.016 -6.402 650 2HB GLU 51 2HB GLU 51 -27.680 -1.487 -6.102 651 1HG GLU 51 1HG GLU 51 -26.373 -3.983 -5.040 652 2HG GLU 51 2HG GLU 51 -26.762 -2.524 -4.131 653 H SER 52 H SER 52 -27.671 -0.594 -7.618 654 HA SER 52 HA SER 52 -27.997 -0.460 -10.482 655 1HB SER 52 1HB SER 52 -28.139 2.023 -10.005 656 2HB SER 52 2HB SER 52 -29.341 1.026 -9.186 657 HG SER 52 HG SER 52 -28.414 1.408 -7.298 658 H GLN 53 H GLN 53 -25.349 -0.954 -8.737 659 HA GLN 53 HA GLN 53 -23.127 -0.820 -9.128 660 1HB GLN 53 1HB GLN 53 -23.992 0.492 -11.697 661 2HB GLN 53 2HB GLN 53 -22.306 0.216 -11.282 662 1HG GLN 53 1HG GLN 53 -22.822 -2.210 -11.088 663 2HG GLN 53 2HG GLN 53 -24.442 -1.860 -11.691 664 1HE2 GLN 53 1HE2 GLN 53 -22.289 -3.491 -12.828 665 2HE2 GLN 53 2HE2 GLN 53 -21.983 -2.846 -14.404 666 H SER 54 H SER 54 -24.739 2.242 -9.956 667 HA SER 54 HA SER 54 -22.564 3.790 -8.854 668 1HB SER 54 1HB SER 54 -25.320 4.685 -9.737 669 2HB SER 54 2HB SER 54 -23.928 5.727 -9.438 670 HG SER 54 HG SER 54 -23.130 3.889 -11.153 671 H CYS 55 H CYS 55 -22.941 2.370 -6.839 672 HA CYS 55 HA CYS 55 -25.143 3.230 -5.155 673 1HB CYS 55 1HB CYS 55 -22.937 1.238 -4.598 674 2HB CYS 55 2HB CYS 55 -24.389 1.478 -3.631 675 HG CYS 55 HG CYS 55 -24.700 -0.902 -5.007 676 H LYS 56 H LYS 56 -24.636 3.690 -2.835 677 HA LYS 56 HA LYS 56 -22.579 5.749 -2.715 678 1HB LYS 56 1HB LYS 56 -24.889 4.990 -0.938 679 2HB LYS 56 2HB LYS 56 -23.637 6.086 -0.378 680 1HG LYS 56 1HG LYS 56 -25.565 7.308 -1.190 681 2HG LYS 56 2HG LYS 56 -24.155 7.626 -2.199 682 1HD LYS 56 1HD LYS 56 -24.989 6.051 -3.868 683 2HD LYS 56 2HD LYS 56 -26.385 5.698 -2.849 684 1HE LYS 56 1HE LYS 56 -27.172 7.963 -3.060 685 2HE LYS 56 2HE LYS 56 -25.714 8.429 -3.934 686 1HZ LYS 56 1HZ LYS 56 -27.652 6.403 -4.913 687 2HZ LYS 56 2HZ LYS 56 -26.349 7.077 -5.768 688 3HZ LYS 56 3HZ LYS 56 -27.684 8.038 -5.361 689 H ILE 57 H ILE 57 -20.668 5.468 -1.757 690 HA ILE 57 HA ILE 57 -20.140 2.949 -0.418 691 HB ILE 57 HB ILE 57 -18.245 5.214 -1.072 692 1HG1 ILE 57 1HG1 ILE 57 -19.149 4.199 -3.088 693 2HG1 ILE 57 2HG1 ILE 57 -17.474 3.699 -2.881 694 1HG2 ILE 57 1HG2 ILE 57 -17.670 2.394 -0.160 695 2HG2 ILE 57 2HG2 ILE 57 -17.454 3.858 0.800 696 3HG2 ILE 57 3HG2 ILE 57 -16.464 3.592 -0.637 697 1HD1 ILE 57 1HD1 ILE 57 -19.904 2.059 -2.197 698 2HD1 ILE 57 2HD1 ILE 57 -18.227 1.555 -1.991 699 3HD1 ILE 57 3HD1 ILE 57 -18.867 1.848 -3.608 700 H ASP 58 H ASP 58 -21.206 3.102 1.461 701 HA ASP 58 HA ASP 58 -20.595 5.307 3.297 702 1HB ASP 58 1HB ASP 58 -22.990 4.657 2.741 703 2HB ASP 58 2HB ASP 58 -22.690 3.145 3.585 704 H LYS 59 H LYS 59 -20.741 4.347 5.712 705 HA LYS 59 HA LYS 59 -18.357 2.936 6.127 706 1HB LYS 59 1HB LYS 59 -20.720 3.328 7.974 707 2HB LYS 59 2HB LYS 59 -19.138 2.750 8.480 708 1HG LYS 59 1HG LYS 59 -18.120 4.826 8.016 709 2HG LYS 59 2HG LYS 59 -19.530 5.402 7.123 710 1HD LYS 59 1HD LYS 59 -19.427 6.438 9.322 711 2HD LYS 59 2HD LYS 59 -20.838 5.388 9.195 712 1HE LYS 59 1HE LYS 59 -19.863 5.021 11.334 713 2HE LYS 59 2HE LYS 59 -19.513 3.606 10.343 714 1HZ LYS 59 1HZ LYS 59 -17.577 4.275 11.589 715 2HZ LYS 59 2HZ LYS 59 -17.637 5.837 10.931 716 3HZ LYS 59 3HZ LYS 59 -17.289 4.510 9.935 717 H THR 60 H THR 60 -21.716 1.866 6.047 718 HA THR 60 HA THR 60 -20.959 -0.898 6.505 719 HB THR 60 HB THR 60 -23.511 -1.187 6.052 720 HG1 THR 60 HG1 THR 60 -24.681 0.624 6.016 721 1HG2 THR 60 1HG2 THR 60 -22.458 -1.418 8.249 722 2HG2 THR 60 2HG2 THR 60 -24.003 -0.578 8.376 723 3HG2 THR 60 3HG2 THR 60 -22.495 0.332 8.457 724 H GLN 61 H GLN 61 -22.195 1.121 3.892 725 HA GLN 61 HA GLN 61 -22.883 -1.033 2.180 726 1HB GLN 61 1HB GLN 61 -22.399 1.833 1.374 727 2HB GLN 61 2HB GLN 61 -23.401 0.646 0.551 728 1HG GLN 61 1HG GLN 61 -24.885 0.597 2.534 729 2HG GLN 61 2HG GLN 61 -23.918 1.887 3.244 730 1HE2 GLN 61 1HE2 GLN 61 -26.258 1.041 0.872 731 2HE2 GLN 61 2HE2 GLN 61 -26.679 2.652 0.393 732 H ARG 62 H ARG 62 -19.892 0.447 2.854 733 HA ARG 62 HA ARG 62 -18.636 0.140 0.327 734 1HB ARG 62 1HB ARG 62 -16.528 0.458 1.564 735 2HB ARG 62 2HB ARG 62 -17.734 1.669 1.977 736 1HG ARG 62 1HG ARG 62 -18.282 0.320 4.003 737 2HG ARG 62 2HG ARG 62 -16.913 -0.720 3.610 738 1HD ARG 62 1HD ARG 62 -15.379 1.096 3.858 739 2HD ARG 62 2HD ARG 62 -16.697 2.258 4.010 740 HE ARG 62 HE ARG 62 -17.164 0.566 6.055 741 1HH1 ARG 62 1HH1 ARG 62 -14.318 2.318 5.039 742 2HH1 ARG 62 2HH1 ARG 62 -13.658 2.455 6.638 743 1HH2 ARG 62 1HH2 ARG 62 -16.333 0.785 8.177 744 2HH2 ARG 62 2HH2 ARG 62 -14.822 1.609 8.430 745 H LYS 63 H LYS 63 -19.609 -2.177 2.587 746 HA LYS 63 HA LYS 63 -17.541 -4.080 1.778 747 1HB LYS 63 1HB LYS 63 -19.805 -4.317 3.755 748 2HB LYS 63 2HB LYS 63 -18.724 -5.638 3.349 749 1HG LYS 63 1HG LYS 63 -16.883 -3.876 4.043 750 2HG LYS 63 2HG LYS 63 -18.230 -3.206 4.970 751 1HD LYS 63 1HD LYS 63 -17.106 -4.755 6.391 752 2HD LYS 63 2HD LYS 63 -18.617 -5.517 5.885 753 1HE LYS 63 1HE LYS 63 -17.150 -6.502 3.967 754 2HE LYS 63 2HE LYS 63 -15.810 -6.121 5.044 755 1HZ LYS 63 1HZ LYS 63 -17.080 -7.427 6.777 756 2HZ LYS 63 2HZ LYS 63 -16.401 -8.319 5.510 757 3HZ LYS 63 3HZ LYS 63 -18.060 -7.986 5.508 758 H ARG 64 H ARG 64 -21.011 -3.535 1.486 759 HA ARG 64 HA ARG 64 -21.564 -6.074 0.337 760 1HB ARG 64 1HB ARG 64 -23.780 -5.200 -0.121 761 2HB ARG 64 2HB ARG 64 -23.280 -4.779 1.509 762 1HG ARG 64 1HG ARG 64 -22.856 -2.519 0.867 763 2HG ARG 64 2HG ARG 64 -23.101 -2.907 -0.838 764 1HD ARG 64 1HD ARG 64 -25.180 -3.026 1.345 765 2HD ARG 64 2HD ARG 64 -25.066 -1.808 0.074 766 HE ARG 64 HE ARG 64 -25.217 -4.222 -1.241 767 1HH1 ARG 64 1HH1 ARG 64 -27.212 -2.413 0.996 768 2HH1 ARG 64 2HH1 ARG 64 -28.700 -3.136 0.462 769 1HH2 ARG 64 1HH2 ARG 64 -27.174 -5.165 -1.973 770 2HH2 ARG 64 2HH2 ARG 64 -28.679 -4.670 -1.256 771 H CYS 65 H CYS 65 -20.709 -2.960 -0.962 772 HA CYS 65 HA CYS 65 -20.829 -4.127 -3.660 773 1HB CYS 65 1HB CYS 65 -21.223 -1.269 -2.781 774 2HB CYS 65 2HB CYS 65 -20.989 -1.737 -4.460 775 HG CYS 65 HG CYS 65 -23.410 -3.551 -3.151 776 HA PRO 66 HA PRO 66 -16.343 -3.377 -2.854 777 1HB PRO 66 1HB PRO 66 -15.522 -5.524 -4.327 778 2HB PRO 66 2HB PRO 66 -15.920 -5.617 -2.609 779 1HG PRO 66 1HG PRO 66 -17.573 -6.366 -4.982 780 2HG PRO 66 2HG PRO 66 -17.400 -7.200 -3.427 781 1HD PRO 66 1HD PRO 66 -19.541 -5.650 -4.026 782 2HD PRO 66 2HD PRO 66 -18.911 -5.815 -2.374 783 H PHE 67 H PHE 67 -18.020 -4.333 -5.820 784 HA PHE 67 HA PHE 67 -16.183 -3.312 -7.680 785 1HB PHE 67 1HB PHE 67 -18.021 -4.832 -8.290 786 2HB PHE 67 2HB PHE 67 -19.194 -3.577 -7.909 787 HD1 PHE 67 HD1 PHE 67 -19.917 -2.124 -9.562 788 HD2 PHE 67 HD2 PHE 67 -16.310 -4.307 -10.138 789 HE1 PHE 67 HE1 PHE 67 -19.802 -1.312 -11.883 790 HE2 PHE 67 HE2 PHE 67 -16.188 -3.498 -12.459 791 HZ PHE 67 HZ PHE 67 -17.934 -2.000 -13.334 792 H CYS 68 H CYS 68 -18.874 -1.820 -5.966 793 HA CYS 68 HA CYS 68 -18.752 0.663 -7.339 794 1HB CYS 68 1HB CYS 68 -19.874 0.089 -4.589 795 2HB CYS 68 2HB CYS 68 -20.261 1.465 -5.619 796 HG CYS 68 HG CYS 68 -21.831 0.212 -7.351 797 H ARG 69 H ARG 69 -17.277 -0.613 -4.401 798 HA ARG 69 HA ARG 69 -16.106 1.802 -3.526 799 1HB ARG 69 1HB ARG 69 -16.287 -0.220 -2.107 800 2HB ARG 69 2HB ARG 69 -15.094 -1.022 -3.120 801 1HG ARG 69 1HG ARG 69 -13.435 0.660 -2.502 802 2HG ARG 69 2HG ARG 69 -14.631 1.463 -1.484 803 1HD ARG 69 1HD ARG 69 -14.828 -0.611 -0.153 804 2HD ARG 69 2HD ARG 69 -13.546 -1.327 -1.132 805 HE ARG 69 HE ARG 69 -12.362 0.903 -0.250 806 1HH1 ARG 69 1HH1 ARG 69 -14.195 -1.562 1.417 807 2HH1 ARG 69 2HH1 ARG 69 -13.371 -1.335 2.925 808 1HH2 ARG 69 1HH2 ARG 69 -11.274 1.218 1.740 809 2HH2 ARG 69 2HH2 ARG 69 -11.712 0.251 3.118 810 H PHE 70 H PHE 70 -15.039 -0.742 -5.704 811 HA PHE 70 HA PHE 70 -12.472 0.185 -6.291 812 1HB PHE 70 1HB PHE 70 -13.348 -2.006 -6.992 813 2HB PHE 70 2HB PHE 70 -14.464 -1.216 -8.093 814 HD1 PHE 70 HD1 PHE 70 -10.845 -1.659 -7.393 815 HD2 PHE 70 HD2 PHE 70 -13.845 -0.794 -10.284 816 HE1 PHE 70 HE1 PHE 70 -9.159 -1.797 -9.181 817 HE2 PHE 70 HE2 PHE 70 -12.167 -0.929 -12.073 818 HZ PHE 70 HZ PHE 70 -9.820 -1.430 -11.524 819 H GLN 71 H GLN 71 -15.568 0.878 -7.906 820 HA GLN 71 HA GLN 71 -14.631 2.747 -9.762 821 1HB GLN 71 1HB GLN 71 -17.322 2.664 -8.380 822 2HB GLN 71 2HB GLN 71 -16.953 3.576 -9.835 823 1HG GLN 71 1HG GLN 71 -16.655 0.596 -9.688 824 2HG GLN 71 2HG GLN 71 -18.170 1.379 -10.123 825 1HE2 GLN 71 1HE2 GLN 71 -15.037 2.645 -11.043 826 2HE2 GLN 71 2HE2 GLN 71 -15.190 2.316 -12.734 827 H LYS 72 H LYS 72 -15.770 3.168 -6.443 828 HA LYS 72 HA LYS 72 -15.667 5.935 -6.269 829 1HB LYS 72 1HB LYS 72 -16.639 4.271 -4.622 830 2HB LYS 72 2HB LYS 72 -15.000 4.004 -4.048 831 1HG LYS 72 1HG LYS 72 -16.082 5.552 -2.596 832 2HG LYS 72 2HG LYS 72 -14.849 6.415 -3.518 833 1HD LYS 72 1HD LYS 72 -16.690 7.055 -5.126 834 2HD LYS 72 2HD LYS 72 -17.829 6.439 -3.926 835 1HE LYS 72 1HE LYS 72 -15.769 8.564 -3.430 836 2HE LYS 72 2HE LYS 72 -17.468 8.883 -3.775 837 1HZ LYS 72 1HZ LYS 72 -18.055 7.653 -1.765 838 2HZ LYS 72 2HZ LYS 72 -17.039 8.962 -1.407 839 3HZ LYS 72 3HZ LYS 72 -16.416 7.387 -1.428 840 H CYS 73 H CYS 73 -13.139 3.507 -5.807 841 HA CYS 73 HA CYS 73 -11.111 5.203 -4.871 842 1HB CYS 73 1HB CYS 73 -10.858 2.699 -6.558 843 2HB CYS 73 2HB CYS 73 -9.548 3.461 -5.661 844 HG CYS 73 HG CYS 73 -12.338 2.034 -4.278 845 H LEU 74 H LEU 74 -11.685 4.016 -8.202 846 HA LEU 74 HA LEU 74 -9.784 5.666 -9.424 847 1HB LEU 74 1HB LEU 74 -12.241 4.277 -10.439 848 2HB LEU 74 2HB LEU 74 -11.291 5.297 -11.491 849 HG LEU 74 HG LEU 74 -9.298 3.846 -10.886 850 1HD1 LEU 74 1HD1 LEU 74 -9.828 1.571 -10.152 851 2HD1 LEU 74 2HD1 LEU 74 -11.490 2.079 -9.855 852 3HD1 LEU 74 3HD1 LEU 74 -10.174 2.785 -8.921 853 1HD2 LEU 74 1HD2 LEU 74 -10.415 3.730 -13.043 854 2HD2 LEU 74 2HD2 LEU 74 -11.605 2.613 -12.375 855 3HD2 LEU 74 3HD2 LEU 74 -9.916 2.125 -12.508 856 H THR 75 H THR 75 -12.976 6.367 -8.297 857 HA THR 75 HA THR 75 -13.494 8.683 -9.829 858 HB THR 75 HB THR 75 -14.473 7.884 -7.084 859 HG1 THR 75 HG1 THR 75 -15.099 6.585 -8.953 860 1HG2 THR 75 1HG2 THR 75 -16.229 9.569 -7.380 861 2HG2 THR 75 2HG2 THR 75 -15.465 10.102 -8.879 862 3HG2 THR 75 3HG2 THR 75 -14.625 10.306 -7.341 863 H VAL 76 H VAL 76 -12.085 8.279 -6.575 864 HA VAL 76 HA VAL 76 -11.877 11.093 -6.166 865 HB VAL 76 HB VAL 76 -10.703 10.566 -4.105 866 1HG1 VAL 76 1HG1 VAL 76 -13.029 8.720 -4.629 867 2HG1 VAL 76 2HG1 VAL 76 -13.128 10.409 -4.132 868 3HG1 VAL 76 3HG1 VAL 76 -12.443 9.207 -3.038 869 1HG2 VAL 76 1HG2 VAL 76 -9.320 8.718 -4.970 870 2HG2 VAL 76 2HG2 VAL 76 -10.753 7.693 -5.022 871 3HG2 VAL 76 3HG2 VAL 76 -10.153 8.292 -3.475 872 H GLY 77 H GLY 77 -9.808 8.734 -7.618 873 1HA GLY 77 1HA GLY 77 -8.194 10.099 -9.101 874 2HA GLY 77 2HA GLY 77 -7.569 10.643 -7.554 875 H MET 78 H MET 78 -8.509 7.530 -7.063 876 HA MET 78 HA MET 78 -5.818 6.559 -7.100 877 1HB MET 78 1HB MET 78 -8.424 5.097 -6.626 878 2HB MET 78 2HB MET 78 -6.824 4.415 -6.369 879 1HG MET 78 1HG MET 78 -6.385 6.105 -4.658 880 2HG MET 78 2HG MET 78 -7.998 6.771 -4.910 881 1HE MET 78 1HE MET 78 -7.111 2.981 -5.076 882 2HE MET 78 2HE MET 78 -7.318 2.466 -3.401 883 3HE MET 78 3HE MET 78 -5.992 3.545 -3.834 884 H ARG 79 H ARG 79 -4.831 5.989 -8.911 885 HA ARG 79 HA ARG 79 -6.444 5.090 -11.176 886 1HB ARG 79 1HB ARG 79 -3.544 5.923 -11.091 887 2HB ARG 79 2HB ARG 79 -4.452 5.514 -12.539 888 1HG ARG 79 1HG ARG 79 -5.984 7.406 -12.033 889 2HG ARG 79 2HG ARG 79 -4.906 7.855 -10.708 890 1HD ARG 79 1HD ARG 79 -3.055 7.909 -12.440 891 2HD ARG 79 2HD ARG 79 -4.330 7.829 -13.656 892 HE ARG 79 HE ARG 79 -4.679 9.922 -11.692 893 1HH1 ARG 79 1HH1 ARG 79 -3.294 9.081 -14.809 894 2HH1 ARG 79 2HH1 ARG 79 -3.254 10.728 -15.367 895 1HH2 ARG 79 1HH2 ARG 79 -4.620 12.070 -12.426 896 2HH2 ARG 79 2HH2 ARG 79 -4.011 12.428 -14.010 897 H LEU 80 H LEU 80 -5.447 3.410 -12.576 898 HA LEU 80 HA LEU 80 -5.178 1.055 -10.951 899 1HB LEU 80 1HB LEU 80 -5.117 1.412 -13.945 900 2HB LEU 80 2HB LEU 80 -5.212 -0.129 -13.111 901 HG LEU 80 HG LEU 80 -7.305 2.019 -12.814 902 1HD1 LEU 80 1HD1 LEU 80 -7.305 -0.352 -14.669 903 2HD1 LEU 80 2HD1 LEU 80 -7.137 1.335 -15.155 904 3HD1 LEU 80 3HD1 LEU 80 -8.638 0.775 -14.413 905 1HD2 LEU 80 1HD2 LEU 80 -7.214 0.358 -11.026 906 2HD2 LEU 80 2HD2 LEU 80 -7.314 -0.938 -12.218 907 3HD2 LEU 80 3HD2 LEU 80 -8.672 0.168 -12.001 908 H GLU 81 H GLU 81 -3.147 2.940 -13.082 909 HA GLU 81 HA GLU 81 -0.931 1.168 -13.097 910 1HB GLU 81 1HB GLU 81 0.344 3.282 -13.791 911 2HB GLU 81 2HB GLU 81 -0.939 2.714 -14.847 912 1HG GLU 81 1HG GLU 81 -1.597 4.752 -12.786 913 2HG GLU 81 2HG GLU 81 -0.693 5.251 -14.214 914 H ALA 82 H ALA 82 -2.185 2.981 -10.594 915 HA ALA 82 HA ALA 82 0.227 3.762 -9.290 916 1HB ALA 82 1HB ALA 82 -1.178 4.128 -7.329 917 2HB ALA 82 2HB ALA 82 -2.516 3.297 -8.123 918 3HB ALA 82 3HB ALA 82 -1.915 4.822 -8.773 919 H VAL 83 H VAL 83 -1.457 0.808 -9.662 920 HA VAL 83 HA VAL 83 0.045 -0.460 -7.493 921 HB VAL 83 HB VAL 83 -2.511 -0.892 -8.286 922 1HG1 VAL 83 1HG1 VAL 83 -2.643 -3.048 -9.443 923 2HG1 VAL 83 2HG1 VAL 83 -0.903 -2.984 -9.725 924 3HG1 VAL 83 3HG1 VAL 83 -1.959 -1.772 -10.452 925 1HG2 VAL 83 1HG2 VAL 83 -1.470 -1.714 -6.234 926 2HG2 VAL 83 2HG2 VAL 83 -0.705 -3.016 -7.147 927 3HG2 VAL 83 3HG2 VAL 83 -2.465 -2.946 -7.011 928 H ARG 84 H ARG 84 1.585 -2.101 -7.934 929 HA ARG 84 HA ARG 84 2.737 -1.911 -10.605 930 1HB ARG 84 1HB ARG 84 3.792 -3.180 -8.075 931 2HB ARG 84 2HB ARG 84 4.646 -3.171 -9.610 932 1HG ARG 84 1HG ARG 84 3.846 -0.708 -8.079 933 2HG ARG 84 2HG ARG 84 5.441 -1.458 -8.027 934 1HD ARG 84 1HD ARG 84 5.623 0.308 -9.567 935 2HD ARG 84 2HD ARG 84 5.512 -1.154 -10.540 936 HE ARG 84 HE ARG 84 3.125 0.492 -10.043 937 1HH1 ARG 84 1HH1 ARG 84 5.443 -0.933 -12.254 938 2HH1 ARG 84 2HH1 ARG 84 4.489 -0.578 -13.665 939 1HH2 ARG 84 1HH2 ARG 84 1.894 0.991 -11.918 940 2HH2 ARG 84 2HH2 ARG 84 2.498 0.510 -13.482 941 H ALA 85 H ALA 85 1.612 -3.202 -11.965 942 HA ALA 85 HA ALA 85 0.553 -5.737 -11.326 943 1HB ALA 85 1HB ALA 85 1.327 -4.652 -14.034 944 2HB ALA 85 2HB ALA 85 -0.223 -4.407 -13.230 945 3HB ALA 85 3HB ALA 85 0.264 -6.026 -13.729 946 H ASP 86 H ASP 86 3.716 -4.720 -11.834 947 HA ASP 86 HA ASP 86 4.914 -7.094 -12.823 948 1HB ASP 86 1HB ASP 86 6.147 -4.970 -11.053 949 2HB ASP 86 2HB ASP 86 7.010 -6.109 -12.079 950 H ARG 87 H ARG 87 3.366 -6.452 -9.938 951 HA ARG 87 HA ARG 87 3.189 -7.497 -7.924 952 1HB ARG 87 1HB ARG 87 3.714 -9.534 -9.611 953 2HB ARG 87 2HB ARG 87 5.157 -9.621 -8.618 954 1HG ARG 87 1HG ARG 87 2.407 -9.642 -7.426 955 2HG ARG 87 2HG ARG 87 3.209 -11.110 -7.982 956 1HD ARG 87 1HD ARG 87 5.167 -10.271 -6.486 957 2HD ARG 87 2HD ARG 87 3.916 -9.298 -5.713 958 HE ARG 87 HE ARG 87 2.842 -11.788 -5.726 959 1HH1 ARG 87 1HH1 ARG 87 5.877 -10.454 -4.594 960 2HH1 ARG 87 2HH1 ARG 87 6.139 -11.705 -3.420 961 1HH2 ARG 87 1HH2 ARG 87 3.173 -13.431 -4.148 962 2HH2 ARG 87 2HH2 ARG 87 4.598 -13.374 -3.140 963 H MET 88 H MET 88 5.477 -5.688 -8.829 964 HA MET 88 HA MET 88 7.565 -6.438 -6.932 965 1HB MET 88 1HB MET 88 8.037 -5.643 -9.318 966 2HB MET 88 2HB MET 88 7.561 -4.043 -8.767 967 1HG MET 88 1HG MET 88 9.979 -4.321 -8.746 968 2HG MET 88 2HG MET 88 9.343 -4.052 -7.123 969 1HE MET 88 1HE MET 88 11.806 -4.906 -6.301 970 2HE MET 88 2HE MET 88 12.270 -5.280 -7.962 971 3HE MET 88 3HE MET 88 12.450 -6.499 -6.700 972 H ARG 89 H ARG 89 7.485 -5.691 -4.932 973 HA ARG 89 HA ARG 89 5.542 -3.817 -4.078 974 1HB ARG 89 1HB ARG 89 7.941 -4.969 -2.650 975 2HB ARG 89 2HB ARG 89 6.708 -3.985 -1.873 976 1HG ARG 89 1HG ARG 89 5.023 -5.640 -2.342 977 2HG ARG 89 2HG ARG 89 6.179 -6.601 -3.268 978 1HD ARG 89 1HD ARG 89 7.516 -6.943 -1.256 979 2HD ARG 89 2HD ARG 89 6.381 -5.966 -0.327 980 HE ARG 89 HE ARG 89 4.794 -7.886 -1.348 981 1HH1 ARG 89 1HH1 ARG 89 7.828 -8.011 0.393 982 2HH1 ARG 89 2HH1 ARG 89 7.498 -9.560 1.115 983 1HH2 ARG 89 1HH2 ARG 89 4.361 -9.922 -0.410 984 2HH2 ARG 89 2HH2 ARG 89 5.544 -10.664 0.628 985 H GLY 90 H GLY 90 8.726 -3.439 -5.279 986 1HA GLY 90 1HA GLY 90 9.217 -0.872 -4.072 987 2HA GLY 90 2HA GLY 90 10.162 -1.623 -5.350 988 H GLY 91 H GLY 91 6.859 -0.350 -4.916 989 1HA GLY 91 1HA GLY 91 6.923 0.649 -7.671 990 2HA GLY 91 2HA GLY 91 5.504 0.541 -6.639 991 H ARG 92 H ARG 92 8.556 1.929 -5.681 992 HA ARG 92 HA ARG 92 7.182 4.440 -5.111 993 1HB ARG 92 1HB ARG 92 8.279 3.568 -3.213 994 2HB ARG 92 2HB ARG 92 9.719 3.157 -4.128 995 1HG ARG 92 1HG ARG 92 10.244 5.536 -4.364 996 2HG ARG 92 2HG ARG 92 8.803 5.937 -3.423 997 1HD ARG 92 1HD ARG 92 9.674 4.910 -1.478 998 2HD ARG 92 2HD ARG 92 10.969 4.130 -2.381 999 HE ARG 92 HE ARG 92 12.056 6.249 -2.577 1000 1HH1 ARG 92 1HH1 ARG 92 9.241 6.258 -0.501 1001 2HH1 ARG 92 2HH1 ARG 92 9.775 7.621 0.438 1002 1HH2 ARG 92 1HH2 ARG 92 12.766 8.047 -1.345 1003 2HH2 ARG 92 2HH2 ARG 92 11.782 8.641 -0.049 1004 H ASN 93 H ASN 93 7.167 5.557 -7.050 1005 HA ASN 93 HA ASN 93 9.352 7.200 -7.570 1006 1HB ASN 93 1HB ASN 93 10.310 5.070 -8.558 1007 2HB ASN 93 2HB ASN 93 9.048 5.163 -9.784 1008 1HD2 ASN 93 1HD2 ASN 93 10.439 5.480 -11.498 1009 2HD2 ASN 93 2HD2 ASN 93 11.359 6.938 -11.704 1010 H LYS 94 H LYS 94 6.867 5.514 -9.491 1011 HA LYS 94 HA LYS 94 6.508 7.454 -11.423 1012 1HB LYS 94 1HB LYS 94 4.588 5.401 -10.344 1013 2HB LYS 94 2HB LYS 94 4.223 6.404 -11.740 1014 1HG LYS 94 1HG LYS 94 6.601 4.569 -11.541 1015 2HG LYS 94 2HG LYS 94 5.071 4.152 -12.316 1016 1HD LYS 94 1HD LYS 94 5.351 5.933 -13.922 1017 2HD LYS 94 2HD LYS 94 6.809 6.490 -13.098 1018 1HE LYS 94 1HE LYS 94 7.922 4.387 -13.632 1019 2HE LYS 94 2HE LYS 94 6.459 3.805 -14.427 1020 1HZ LYS 94 1HZ LYS 94 6.705 5.317 -16.155 1021 2HZ LYS 94 2HZ LYS 94 8.297 4.801 -15.870 1022 3HZ LYS 94 3HZ LYS 94 7.773 6.307 -15.287 1023 H PHE 95 H PHE 95 4.630 7.099 -8.418 1024 HA PHE 95 HA PHE 95 3.119 9.482 -9.156 1025 1HB PHE 95 1HB PHE 95 2.688 7.325 -7.103 1026 2HB PHE 95 2HB PHE 95 1.758 8.820 -7.079 1027 HD1 PHE 95 HD1 PHE 95 2.680 5.998 -9.330 1028 HD2 PHE 95 HD2 PHE 95 -0.171 8.998 -8.335 1029 HE1 PHE 95 HE1 PHE 95 1.125 5.068 -10.994 1030 HE2 PHE 95 HE2 PHE 95 -1.730 8.072 -9.996 1031 HZ PHE 95 HZ PHE 95 -1.083 6.105 -11.329 1032 H GLY 96 H GLY 96 5.970 9.232 -7.888 1033 1HA GLY 96 1HA GLY 96 5.909 10.316 -5.305 1034 2HA GLY 96 2HA GLY 96 7.248 10.462 -6.431 1035 HA PRO 97 HA PRO 97 6.631 14.764 -7.115 1036 1HB PRO 97 1HB PRO 97 5.832 14.361 -9.947 1037 2HB PRO 97 2HB PRO 97 7.146 15.331 -9.274 1038 1HG PRO 97 1HG PRO 97 7.658 13.021 -10.491 1039 2HG PRO 97 2HG PRO 97 8.554 13.499 -9.037 1040 1HD PRO 97 1HD PRO 97 6.309 11.539 -9.322 1041 2HD PRO 97 2HD PRO 97 7.774 11.434 -8.325 1042 H MET 98 H MET 98 4.041 12.872 -8.670 1043 HA MET 98 HA MET 98 2.230 15.020 -8.839 1044 1HB MET 98 1HB MET 98 0.538 13.435 -9.426 1045 2HB MET 98 2HB MET 98 2.040 12.964 -10.192 1046 1HG MET 98 1HG MET 98 1.155 10.978 -9.487 1047 2HG MET 98 2HG MET 98 2.330 11.375 -8.245 1048 1HE MET 98 1HE MET 98 -1.490 11.492 -9.196 1049 2HE MET 98 2HE MET 98 -1.144 13.130 -8.643 1050 3HE MET 98 3HE MET 98 -2.196 12.082 -7.691 1051 H TYR 99 H TYR 99 2.968 12.820 -6.229 1052 HA TYR 99 HA TYR 99 0.840 13.195 -4.502 1053 1HB TYR 99 1HB TYR 99 3.802 13.114 -3.922 1054 2HB TYR 99 2HB TYR 99 2.584 13.118 -2.660 1055 HD1 TYR 99 HD1 TYR 99 4.787 11.030 -3.410 1056 HD2 TYR 99 HD2 TYR 99 0.606 11.278 -4.173 1057 HE1 TYR 99 HE1 TYR 99 4.671 8.580 -3.544 1058 HE2 TYR 99 HE2 TYR 99 0.483 8.833 -4.319 1059 HH TYR 99 HH TYR 99 1.868 6.933 -4.686 1060 H LYS 100 H LYS 100 3.743 15.168 -4.780 1061 HA LYS 100 HA LYS 100 2.913 17.162 -2.955 1062 1HB LYS 100 1HB LYS 100 5.030 17.134 -5.103 1063 2HB LYS 100 2HB LYS 100 4.848 18.427 -3.923 1064 1HG LYS 100 1HG LYS 100 5.383 16.960 -2.126 1065 2HG LYS 100 2HG LYS 100 5.306 15.549 -3.181 1066 1HD LYS 100 1HD LYS 100 7.617 16.157 -2.721 1067 2HD LYS 100 2HD LYS 100 7.242 16.381 -4.430 1068 1HE LYS 100 1HE LYS 100 8.575 18.232 -3.531 1069 2HE LYS 100 2HE LYS 100 6.992 18.770 -4.087 1070 1HZ LYS 100 1HZ LYS 100 6.227 18.966 -1.889 1071 2HZ LYS 100 2HZ LYS 100 7.761 19.679 -1.893 1072 3HZ LYS 100 3HZ LYS 100 7.551 18.124 -1.249 1073 H ARG 101 H ARG 101 2.663 16.780 -6.436 1074 HA ARG 101 HA ARG 101 1.772 19.377 -7.060 1075 1HB ARG 101 1HB ARG 101 2.497 17.660 -8.735 1076 2HB ARG 101 2HB ARG 101 0.983 16.809 -8.447 1077 1HG ARG 101 1HG ARG 101 -0.249 18.810 -9.198 1078 2HG ARG 101 2HG ARG 101 1.292 19.587 -9.568 1079 1HD ARG 101 1HD ARG 101 0.245 17.040 -10.798 1080 2HD ARG 101 2HD ARG 101 0.280 18.624 -11.570 1081 HE ARG 101 HE ARG 101 2.886 17.978 -10.754 1082 1HH1 ARG 101 1HH1 ARG 101 0.472 16.901 -13.064 1083 2HH1 ARG 101 2HH1 ARG 101 1.643 16.325 -14.213 1084 1HH2 ARG 101 1HH2 ARG 101 4.429 17.238 -12.269 1085 2HH2 ARG 101 2HH2 ARG 101 3.896 16.528 -13.766 1086 H ASP 102 H ASP 102 -0.023 16.394 -6.319 1087 HA ASP 102 HA ASP 102 -2.601 17.451 -6.619 1088 1HB ASP 102 1HB ASP 102 -2.135 15.032 -6.477 1089 2HB ASP 102 2HB ASP 102 -1.715 15.220 -4.777 1090 H ARG 103 H ARG 103 -0.522 17.215 -3.764 1091 HA ARG 103 HA ARG 103 -2.285 18.294 -1.889 1092 1HB ARG 103 1HB ARG 103 -0.159 17.270 -1.252 1093 2HB ARG 103 2HB ARG 103 0.724 18.573 -2.036 1094 1HG ARG 103 1HG ARG 103 -0.195 20.169 -0.441 1095 2HG ARG 103 2HG ARG 103 -1.106 18.875 0.336 1096 1HD ARG 103 1HD ARG 103 0.921 17.780 1.014 1097 2HD ARG 103 2HD ARG 103 1.896 18.920 0.087 1098 HE ARG 103 HE ARG 103 0.268 20.244 2.024 1099 1HH1 ARG 103 1HH1 ARG 103 3.177 18.310 1.742 1100 2HH1 ARG 103 2HH1 ARG 103 3.986 19.108 3.063 1101 1HH2 ARG 103 1HH2 ARG 103 1.333 21.308 3.738 1102 2HH2 ARG 103 2HH2 ARG 103 2.952 20.836 4.172 1103 H ALA 104 H ALA 104 -0.024 19.902 -4.093 1104 HA ALA 104 HA ALA 104 -0.576 22.536 -3.172 1105 1HB ALA 104 1HB ALA 104 0.549 21.648 -5.827 1106 2HB ALA 104 2HB ALA 104 1.486 21.964 -4.366 1107 3HB ALA 104 3HB ALA 104 0.619 23.279 -5.159 1108 H LEU 105 H LEU 105 -1.929 20.489 -5.689 1109 HA LEU 105 HA LEU 105 -3.508 22.423 -6.987 1110 1HB LEU 105 1HB LEU 105 -3.965 19.455 -6.671 1111 2HB LEU 105 2HB LEU 105 -4.843 20.487 -7.784 1112 HG LEU 105 HG LEU 105 -1.877 19.940 -7.874 1113 1HD1 LEU 105 1HD1 LEU 105 -3.215 17.997 -8.505 1114 2HD1 LEU 105 2HD1 LEU 105 -2.372 18.682 -9.894 1115 3HD1 LEU 105 3HD1 LEU 105 -4.097 18.982 -9.674 1116 1HD2 LEU 105 1HD2 LEU 105 -2.453 22.174 -8.661 1117 2HD2 LEU 105 2HD2 LEU 105 -3.649 21.485 -9.759 1118 3HD2 LEU 105 3HD2 LEU 105 -1.935 21.139 -9.992 1119 H LYS 106 H LYS 106 -4.241 20.190 -4.345 1120 HA LYS 106 HA LYS 106 -6.907 21.053 -3.980 1121 1HB LYS 106 1HB LYS 106 -4.979 19.588 -2.199 1122 2HB LYS 106 2HB LYS 106 -6.610 19.995 -1.676 1123 1HG LYS 106 1HG LYS 106 -7.533 18.740 -3.557 1124 2HG LYS 106 2HG LYS 106 -5.899 18.331 -4.083 1125 1HD LYS 106 1HD LYS 106 -5.509 17.056 -2.099 1126 2HD LYS 106 2HD LYS 106 -7.021 17.618 -1.383 1127 1HE LYS 106 1HE LYS 106 -7.191 15.321 -2.256 1128 2HE LYS 106 2HE LYS 106 -8.298 16.432 -3.060 1129 1HZ LYS 106 1HZ LYS 106 -6.761 16.566 -4.917 1130 2HZ LYS 106 2HZ LYS 106 -7.200 14.955 -4.636 1131 3HZ LYS 106 3HZ LYS 106 -5.676 15.521 -4.139 1132 H GLN 107 H GLN 107 -3.846 22.095 -2.539 1133 HA GLN 107 HA GLN 107 -4.889 23.982 -0.726 1134 1HB GLN 107 1HB GLN 107 -2.288 23.876 -2.245 1135 2HB GLN 107 2HB GLN 107 -2.660 25.173 -1.124 1136 1HG GLN 107 1HG GLN 107 -2.826 23.578 0.696 1137 2HG GLN 107 2HG GLN 107 -2.512 22.251 -0.426 1138 1HE2 GLN 107 1HE2 GLN 107 -0.658 21.652 0.717 1139 2HE2 GLN 107 2HE2 GLN 107 0.815 22.557 0.601 1140 H GLN 108 H GLN 108 -4.164 24.128 -4.146 1141 HA GLN 108 HA GLN 108 -4.364 26.915 -4.497 1142 1HB GLN 108 1HB GLN 108 -3.408 25.107 -6.075 1143 2HB GLN 108 2HB GLN 108 -5.068 24.895 -6.614 1144 1HG GLN 108 1HG GLN 108 -4.058 26.364 -8.143 1145 2HG GLN 108 2HG GLN 108 -5.092 27.361 -7.119 1146 1HE2 GLN 108 1HE2 GLN 108 -1.844 26.528 -7.965 1147 2HE2 GLN 108 2HE2 GLN 108 -1.068 27.851 -7.163 1148 H LYS 109 H LYS 109 -6.727 24.385 -4.309 1149 HA LYS 109 HA LYS 109 -8.843 26.131 -5.310 1150 1HB LYS 109 1HB LYS 109 -8.986 23.227 -4.486 1151 2HB LYS 109 2HB LYS 109 -10.235 24.138 -5.327 1152 1HG LYS 109 1HG LYS 109 -8.784 24.380 -7.259 1153 2HG LYS 109 2HG LYS 109 -7.498 23.516 -6.415 1154 1HD LYS 109 1HD LYS 109 -8.983 21.543 -6.260 1155 2HD LYS 109 2HD LYS 109 -10.191 22.415 -7.206 1156 1HE LYS 109 1HE LYS 109 -7.415 21.639 -8.094 1157 2HE LYS 109 2HE LYS 109 -8.935 20.937 -8.649 1158 1HZ LYS 109 1HZ LYS 109 -9.513 23.248 -9.428 1159 2HZ LYS 109 2HZ LYS 109 -8.293 22.457 -10.292 1160 3HZ LYS 109 3HZ LYS 109 -7.887 23.662 -9.167 1161 H LYS 110 H LYS 110 -8.462 23.894 -2.546 1162 HA LYS 110 HA LYS 110 -10.275 25.665 -1.048 1163 1HB LYS 110 1HB LYS 110 -11.342 23.541 -1.615 1164 2HB LYS 110 2HB LYS 110 -10.011 22.659 -0.882 1165 1HG LYS 110 1HG LYS 110 -11.983 22.720 0.559 1166 2HG LYS 110 2HG LYS 110 -10.598 23.523 1.302 1167 1HD LYS 110 1HD LYS 110 -11.498 25.696 0.665 1168 2HD LYS 110 2HD LYS 110 -12.863 24.911 -0.132 1169 1HE LYS 110 1HE LYS 110 -12.209 24.690 2.804 1170 2HE LYS 110 2HE LYS 110 -13.416 25.777 2.119 1171 1HZ LYS 110 1HZ LYS 110 -14.426 23.754 2.959 1172 2HZ LYS 110 2HZ LYS 110 -13.458 22.809 1.940 1173 3HZ LYS 110 3HZ LYS 110 -14.617 23.853 1.275 1174 H ALA 111 H ALA 111 -9.029 26.806 0.266 1175 HA ALA 111 HA ALA 111 -7.279 25.322 2.103 1176 1HB ALA 111 1HB ALA 111 -5.712 27.199 2.113 1177 2HB ALA 111 2HB ALA 111 -6.694 28.034 0.909 1178 3HB ALA 111 3HB ALA 111 -5.879 26.528 0.492 Start of MODEL 16 1 1H5* G 1 1H5* G 1 30.136 1.413 1.219 2 2H5* G 1 2H5* G 1 29.188 -0.081 1.319 3 H4* G 1 H4* G 1 29.466 1.457 3.391 4 H3* G 1 H3* G 1 27.764 -0.555 3.000 5 H1* G 1 H1* G 1 26.238 3.004 3.691 6 H8 G 1 H8 G 1 26.440 1.989 -0.048 7 H1 G 1 H1 G 1 22.913 7.185 1.287 8 1H2 G 1 1H2 G 1 22.962 7.599 3.451 9 2H2 G 1 2H2 G 1 23.858 6.603 4.575 10 H5T G 1 H5T G 1 27.908 0.699 -0.126 11 1H2* G 1 1H2* G 1 26.016 0.602 1.849 12 2H2* G 1 2H2* G 1 25.458 0.777 3.506 13 1H5* G 2 1H5* G 2 26.987 2.083 6.532 14 2H5* G 2 2H5* G 2 26.465 1.366 8.071 15 H4* G 2 H4* G 2 25.356 3.454 7.760 16 H3* G 2 H3* G 2 23.923 1.167 8.329 17 H1* G 2 H1* G 2 22.836 3.950 5.972 18 H8 G 2 H8 G 2 23.964 0.916 3.820 19 H1 G 2 H1 G 2 20.216 5.241 0.904 20 1H2 G 2 1H2 G 2 19.652 6.830 2.329 21 2H2 G 2 2H2 G 2 20.195 6.826 3.991 22 1H2* G 2 1H2* G 2 22.918 0.891 6.179 23 2H2* G 2 2H2* G 2 21.753 1.982 6.915 24 1H5* C 3 1H5* C 3 22.255 5.395 9.132 25 2H5* C 3 2H5* C 3 21.374 5.447 10.674 26 H4* C 3 H4* C 3 20.519 7.137 9.218 27 H3* C 3 H3* C 3 18.841 5.440 10.502 28 H1* C 3 H1* C 3 18.372 6.293 6.760 29 1H4 C 3 1H4 C 3 18.784 1.748 2.379 30 2H4 C 3 2H4 C 3 19.780 0.743 3.410 31 H5 C 3 H5 C 3 20.406 1.384 5.663 32 H6 C 3 H6 C 3 20.214 3.117 7.368 33 1H2* C 3 1H2* C 3 18.400 3.935 8.701 34 2H2* C 3 2H2* C 3 17.121 5.111 8.436 35 1H5* T 4 1H5* T 4 16.894 7.816 7.021 36 2H5* T 4 2H5* T 4 16.290 9.089 8.099 37 H4* T 4 H4* T 4 14.770 9.362 6.489 38 H3* T 4 H3* T 4 13.592 7.963 8.499 39 1H2* T 4 1H2* T 4 13.724 5.783 7.541 40 2H2* T 4 2H2* T 4 12.179 6.305 6.882 41 H1* T 4 H1* T 4 13.147 6.985 4.789 42 H3 T 4 H3 T 4 14.254 3.377 2.401 43 1H5M T 4 1H5M T 4 17.127 2.926 6.800 44 2H5M T 4 2H5M T 4 15.679 1.942 7.119 45 3H5M T 4 3H5M T 4 16.748 1.534 5.757 46 H6 T 4 H6 T 4 15.290 4.776 6.843 47 1H5* C 5 1H5* C 5 12.388 8.546 3.640 48 2H5* C 5 2H5* C 5 11.147 9.629 4.305 49 H4* C 5 H4* C 5 10.477 8.935 2.122 50 H3* C 5 H3* C 5 8.723 8.828 4.118 51 H1* C 5 H1* C 5 9.227 5.586 1.992 52 1H4 C 5 1H4 C 5 12.513 0.755 4.434 53 2H4 C 5 2H4 C 5 12.455 1.466 6.032 54 H5 C 5 H5 C 5 11.481 3.643 6.470 55 H6 C 5 H6 C 5 10.385 5.573 5.461 56 1H2* C 5 1H2* C 5 9.118 6.583 4.862 57 2H2* C 5 2H2* C 5 7.794 6.320 3.736 58 1H5* A 6 1H5* A 6 7.247 8.399 -0.221 59 2H5* A 6 2H5* A 6 5.511 8.600 -0.534 60 H4* A 6 H4* A 6 6.598 7.063 -2.102 61 H3* A 6 H3* A 6 4.132 6.666 -1.038 62 H1* A 6 H1* A 6 6.727 3.866 -1.301 63 H8 A 6 H8 A 6 6.907 5.300 2.301 64 1H6 A 6 1H6 A 6 9.173 -0.246 3.852 65 2H6 A 6 2H6 A 6 8.774 1.359 4.427 66 H2 A 6 H2 A 6 8.164 -0.330 -0.523 67 1H2* A 6 1H2* A 6 4.769 5.126 0.687 68 2H2* A 6 2H2* A 6 4.406 4.014 -0.624 69 1H5* G 7 1H5* G 7 5.852 2.374 -4.618 70 2H5* G 7 2H5* G 7 4.115 2.584 -4.933 71 H4* G 7 H4* G 7 5.037 0.213 -4.675 72 H3* G 7 H3* G 7 2.496 1.162 -4.193 73 H1* G 7 H1* G 7 4.412 -1.260 -1.988 74 H8 G 7 H8 G 7 4.251 2.184 -0.175 75 H1 G 7 H1 G 7 5.950 -2.879 3.392 76 1H2 G 7 1H2 G 7 5.958 -4.698 2.150 77 2H2 G 7 2H2 G 7 5.535 -4.666 0.453 78 1H2* G 7 1H2* G 7 2.657 1.248 -1.808 79 2H2* G 7 2H2* G 7 2.126 -0.416 -2.019 80 1H5* G 8 1H5* G 8 4.029 -3.143 -4.230 81 2H5* G 8 2H5* G 8 3.089 -3.557 -5.678 82 H4* G 8 H4* G 8 4.056 -5.559 -4.930 83 H3* G 8 H3* G 8 1.416 -5.549 -5.276 84 H1* G 8 H1* G 8 2.747 -6.732 -1.722 85 H8 G 8 H8 G 8 1.179 -3.222 -2.038 86 H1 G 8 H1 G 8 3.238 -4.852 3.821 87 1H2 G 8 1H2 G 8 4.261 -6.808 3.743 88 2H2 G 8 2H2 G 8 4.435 -7.709 2.252 89 1H2* G 8 1H2* G 8 0.663 -5.030 -3.090 90 2H2* G 8 2H2* G 8 0.745 -6.778 -2.931 91 1H5* G 9 1H5* G 9 4.376 -8.137 -2.178 92 2H5* G 9 2H5* G 9 4.102 -9.485 -3.302 93 H4* G 9 H4* G 9 4.784 -10.371 -1.198 94 H3* G 9 H3* G 9 2.627 -11.387 -2.419 95 H1* G 9 H1* G 9 2.312 -10.323 1.353 96 H8 G 9 H8 G 9 0.470 -8.107 -1.193 97 H1 G 9 H1 G 9 0.260 -6.066 4.892 98 1H2 G 9 1H2 G 9 1.525 -7.345 6.167 99 2H2 G 9 2H2 G 9 2.428 -8.699 5.525 100 1H2* G 9 1H2* G 9 0.907 -10.136 -1.334 101 2H2* G 9 2H2* G 9 1.014 -11.504 -0.235 102 1H5* C 10 1H5* C 10 3.825 -12.973 1.611 103 2H5* C 10 2H5* C 10 3.704 -14.724 1.888 104 H4* C 10 H4* C 10 3.241 -13.602 3.930 105 H3* C 10 H3* C 10 1.451 -15.439 2.910 106 H1* C 10 H1* C 10 0.510 -12.164 4.675 107 1H4 C 10 1H4 C 10 -3.122 -7.827 1.853 108 2H4 C 10 2H4 C 10 -3.027 -8.648 0.308 109 H5 C 10 H5 C 10 -1.710 -10.652 -0.037 110 H6 C 10 H6 C 10 -0.256 -12.288 1.035 111 1H2* C 10 1H2* C 10 -0.274 -13.920 2.292 112 2H2* C 10 2H2* C 10 -0.693 -14.139 3.985 113 1H5* C 11 1H5* C 11 0.612 -12.381 6.654 114 2H5* C 11 2H5* C 11 1.539 -13.771 7.261 115 H4* C 11 H4* C 11 0.844 -13.024 9.249 116 H3* C 11 H3* C 11 -0.657 -15.158 8.627 117 H1* C 11 H1* C 11 -2.664 -11.725 9.420 118 1H4 C 11 1H4 C 11 -5.208 -9.519 4.065 119 2H4 C 11 2H4 C 11 -4.355 -10.698 3.094 120 H5 C 11 H5 C 11 -2.838 -12.333 4.039 121 H6 C 11 H6 C 11 -1.816 -13.149 6.097 122 1H2* C 11 1H2* C 11 -2.660 -14.240 7.830 123 2H2* C 11 2H2* C 11 -3.016 -13.987 9.534 124 1H5* A 12 1H5* A 12 -1.913 -12.837 11.746 125 2H5* A 12 2H5* A 12 -2.264 -13.332 13.415 126 H4* A 12 H4* A 12 -3.864 -11.737 12.990 127 H3* A 12 H3* A 12 -4.851 -14.334 13.294 128 H1* A 12 H1* A 12 -6.153 -11.558 11.040 129 H8 A 12 H8 A 12 -4.592 -14.352 8.825 130 1H6 A 12 1H6 A 12 -7.759 -11.680 4.209 131 2H6 A 12 2H6 A 12 -6.655 -12.973 4.627 132 H2 A 12 H2 A 12 -8.625 -9.433 7.987 133 1H2* A 12 1H2* A 12 -5.701 -14.590 11.088 134 2H2* A 12 2H2* A 12 -7.043 -13.693 11.786 135 1H5* C 13 1H5* C 13 -7.142 -10.381 13.571 136 2H5* C 13 2H5* C 13 -7.755 -10.459 15.236 137 H4* C 13 H4* C 13 -8.986 -8.768 14.210 138 H3* C 13 H3* C 13 -10.412 -10.769 15.271 139 H1* C 13 H1* C 13 -11.181 -9.701 11.557 140 1H4 C 13 1H4 C 13 -9.756 -13.879 7.029 141 2H4 C 13 2H4 C 13 -8.686 -14.774 8.086 142 H5 C 13 H5 C 13 -8.280 -14.136 10.391 143 H6 C 13 H6 C 13 -8.828 -12.526 12.139 144 1H2* C 13 1H2* C 13 -10.754 -12.121 13.337 145 2H2* C 13 2H2* C 13 -12.161 -11.074 13.208 146 1H5* A 14 1H5* A 14 -12.790 -7.533 12.859 147 2H5* A 14 2H5* A 14 -13.812 -6.847 14.139 148 H4* A 14 H4* A 14 -14.958 -6.387 12.183 149 H3* A 14 H3* A 14 -16.307 -7.877 13.962 150 H1* A 14 H1* A 14 -16.221 -8.972 10.228 151 H8 A 14 H8 A 14 -13.859 -11.060 12.497 152 1H6 A 14 1H6 A 14 -13.157 -14.683 7.523 153 2H6 A 14 2H6 A 14 -12.735 -14.455 9.206 154 H2 A 14 H2 A 14 -15.817 -11.252 6.387 155 1H2* A 14 1H2* A 14 -15.854 -10.046 13.056 156 2H2* A 14 2H2* A 14 -17.349 -9.662 12.213 157 1H5* G 15 1H5* G 15 -17.216 -8.101 9.273 158 2H5* G 15 2H5* G 15 -17.737 -6.544 9.948 159 H4* G 15 H4* G 15 -18.749 -6.316 7.978 160 H3* G 15 H3* G 15 -20.661 -6.974 9.720 161 H1* G 15 H1* G 15 -20.190 -9.605 6.621 162 H8 G 15 H8 G 15 -19.130 -10.071 10.289 163 H1 G 15 H1 G 15 -17.335 -14.750 6.283 164 1H2 G 15 1H2 G 15 -17.837 -14.206 4.207 165 2H2 G 15 2H2 G 15 -18.624 -12.697 3.802 166 H3T G 15 H3T G 15 -22.103 -6.660 7.834 167 1H2* G 15 1H2* G 15 -21.006 -9.268 9.429 168 2H2* G 15 2H2* G 15 -21.854 -8.804 7.960 169 1H5* C 16 1H5* C 16 -17.041 -21.491 4.293 170 2H5* C 16 2H5* C 16 -16.481 -22.510 2.955 171 H4* C 16 H4* C 16 -17.363 -20.808 1.769 172 H3* C 16 H3* C 16 -14.723 -20.771 1.498 173 H1* C 16 H1* C 16 -16.429 -17.416 2.679 174 1H4 C 16 1H4 C 16 -15.768 -15.792 8.757 175 2H4 C 16 2H4 C 16 -14.878 -17.253 9.121 176 H5 C 16 H5 C 16 -14.444 -18.973 7.472 177 H6 C 16 H6 C 16 -14.773 -19.633 5.147 178 H5T C 16 H5T C 16 -14.408 -21.587 3.216 179 1H2* C 16 1H2* C 16 -14.140 -19.306 3.297 180 2H2* C 16 2H2* C 16 -14.291 -18.139 1.991 181 1H5* T 17 1H5* T 17 -16.927 -16.834 1.167 182 2H5* T 17 2H5* T 17 -17.153 -17.077 -0.577 183 H4* T 17 H4* T 17 -17.594 -14.888 -0.534 184 H3* T 17 H3* T 17 -15.137 -15.171 -1.568 185 1H2* T 17 1H2* T 17 -13.749 -14.746 0.295 186 2H2* T 17 2H2* T 17 -14.035 -13.073 -0.163 187 H1* T 17 H1* T 17 -15.545 -12.694 1.560 188 H3 T 17 H3 T 17 -14.380 -13.616 5.788 189 1H5M T 17 1H5M T 17 -13.030 -18.002 3.950 190 2H5M T 17 2H5M T 17 -11.585 -17.015 4.273 191 3H5M T 17 3H5M T 17 -12.111 -17.299 2.597 192 H6 T 17 H6 T 17 -13.802 -15.915 1.651 193 1H5* G 18 1H5* G 18 -16.774 -11.360 -0.389 194 2H5* G 18 2H5* G 18 -16.743 -9.970 -1.494 195 H4* G 18 H4* G 18 -16.641 -9.053 0.643 196 H3* G 18 H3* G 18 -14.390 -8.693 -1.018 197 H1* G 18 H1* G 18 -14.558 -9.107 2.809 198 H8 G 18 H8 G 18 -12.854 -12.155 1.108 199 H1 G 18 H1 G 18 -11.614 -11.338 7.356 200 1H2 G 18 1H2 G 18 -12.641 -9.534 8.099 201 2H2 G 18 2H2 G 18 -13.637 -8.537 7.062 202 1H2* G 18 1H2* G 18 -12.780 -9.686 0.389 203 2H2* G 18 2H2* G 18 -12.944 -8.189 1.298 204 1H5* T 19 1H5* T 19 -14.900 -7.338 2.811 205 2H5* T 19 2H5* T 19 -15.719 -5.767 2.698 206 H4* T 19 H4* T 19 -15.206 -5.734 4.889 207 H3* T 19 H3* T 19 -13.654 -3.979 3.576 208 1H2* T 19 1H2* T 19 -11.682 -5.302 3.312 209 2H2* T 19 2H2* T 19 -11.337 -4.559 4.869 210 H1* T 19 H1* T 19 -12.011 -6.469 6.105 211 H3 T 19 H3 T 19 -9.033 -9.711 5.474 212 1H5M T 19 1H5M T 19 -9.462 -8.983 0.764 213 2H5M T 19 2H5M T 19 -10.718 -10.214 1.031 214 3H5M T 19 3H5M T 19 -11.182 -8.536 0.660 215 H6 T 19 H6 T 19 -11.913 -7.347 2.504 216 1H5* G 20 1H5* G 20 -12.906 -4.023 7.699 217 2H5* G 20 2H5* G 20 -13.102 -2.684 8.851 218 H4* G 20 H4* G 20 -11.077 -3.305 9.534 219 H3* G 20 H3* G 20 -10.742 -1.214 7.675 220 H1* G 20 H1* G 20 -8.562 -4.247 8.372 221 H8 G 20 H8 G 20 -9.661 -4.186 4.654 222 H1 G 20 H1 G 20 -5.662 -8.916 6.355 223 1H2 G 20 1H2 G 20 -5.301 -8.849 8.527 224 2H2 G 20 2H2 G 20 -6.051 -7.651 9.559 225 1H2* G 20 1H2* G 20 -9.507 -2.445 6.078 226 2H2* G 20 2H2* G 20 -8.192 -2.148 7.208 227 1H5* G 21 1H5* G 21 -7.844 -4.376 9.533 228 2H5* G 21 2H5* G 21 -7.856 -3.211 10.875 229 H4* G 21 H4* G 21 -6.032 -4.422 11.443 230 H3* G 21 H3* G 21 -5.307 -1.962 10.622 231 H1* G 21 H1* G 21 -3.425 -5.079 9.359 232 H8 G 21 H8 G 21 -5.656 -3.517 6.609 233 H1 G 21 H1 G 21 -2.023 -8.490 4.797 234 1H2 G 21 1H2 G 21 -0.952 -9.319 6.535 235 2H2 G 21 2H2 G 21 -1.129 -8.655 8.144 236 1H2* G 21 1H2* G 21 -4.737 -2.510 8.354 237 2H2* G 21 2H2* G 21 -3.175 -2.697 9.139 238 1H5* C 22 1H5* C 22 -2.203 -4.761 12.549 239 2H5* C 22 2H5* C 22 -1.301 -3.848 13.775 240 H4* C 22 H4* C 22 0.100 -5.597 13.119 241 H3* C 22 H3* C 22 1.041 -3.065 12.847 242 H1* C 22 H1* C 22 1.489 -5.703 9.982 243 1H4 C 22 1H4 C 22 -1.354 -4.502 4.451 244 2H4 C 22 2H4 C 22 -2.358 -3.259 5.159 245 H5 C 22 H5 C 22 -2.266 -2.671 7.502 246 H6 C 22 H6 C 22 -1.194 -3.151 9.639 247 1H2* C 22 1H2* C 22 0.814 -2.786 10.502 248 2H2* C 22 2H2* C 22 2.382 -3.582 10.518 249 1H5* C 23 1H5* C 23 2.545 -6.570 10.362 250 2H5* C 23 2H5* C 23 3.283 -6.929 11.938 251 H4* C 23 H4* C 23 4.412 -8.436 10.706 252 H3* C 23 H3* C 23 6.098 -6.505 11.361 253 H1* C 23 H1* C 23 5.634 -7.066 7.388 254 1H4 C 23 1H4 C 23 2.018 -2.539 4.837 255 2H4 C 23 2H4 C 23 1.737 -1.804 6.397 256 H5 C 23 H5 C 23 2.594 -2.718 8.458 257 H6 C 23 H6 C 23 3.899 -4.520 9.451 258 1H2* C 23 1H2* C 23 5.923 -5.012 9.540 259 2H2* C 23 2H2* C 23 7.134 -6.080 8.844 260 1H5* C 24 1H5* C 24 6.268 -9.451 7.246 261 2H5* C 24 2H5* C 24 7.714 -10.193 7.965 262 H4* C 24 H4* C 24 7.798 -10.471 5.596 263 H3* C 24 H3* C 24 9.955 -9.588 6.880 264 H1* C 24 H1* C 24 8.670 -7.435 3.840 265 1H4 C 24 1H4 C 24 5.806 -1.939 5.161 266 2H4 C 24 2H4 C 24 6.107 -2.137 6.874 267 H5 C 24 H5 C 24 7.184 -4.086 7.806 268 H6 C 24 H6 C 24 8.151 -6.266 7.299 269 1H2* C 24 1H2* C 24 9.604 -7.230 6.718 270 2H2* C 24 2H2* C 24 10.553 -7.495 5.263 271 1H5* T 25 1H5* T 25 9.316 -9.285 2.290 272 2H5* T 25 2H5* T 25 10.723 -10.167 1.661 273 H4* T 25 H4* T 25 9.934 -8.815 -0.089 274 H3* T 25 H3* T 25 12.540 -8.522 0.718 275 1H2* T 25 1H2* T 25 12.334 -6.414 1.810 276 2H2* T 25 2H2* T 25 12.592 -5.856 0.163 277 H1* T 25 H1* T 25 10.237 -5.592 -0.260 278 H3 T 25 H3 T 25 8.971 -1.867 1.833 279 1H5M T 25 1H5M T 25 10.308 -3.318 5.945 280 2H5M T 25 2H5M T 25 10.045 -5.072 5.798 281 3H5M T 25 3H5M T 25 11.663 -4.386 5.511 282 H6 T 25 H6 T 25 10.956 -5.930 3.364 283 1H5* G 26 1H5* G 26 11.142 -6.573 -2.656 284 2H5* G 26 2H5* G 26 11.633 -6.842 -4.341 285 H4* G 26 H4* G 26 11.263 -4.642 -4.500 286 H3* G 26 H3* G 26 14.020 -5.063 -4.097 287 H1* G 26 H1* G 26 11.785 -2.195 -2.816 288 H8 G 26 H8 G 26 13.018 -4.474 0.076 289 H1 G 26 H1 G 26 11.179 1.448 1.734 290 1H2 G 26 1H2 G 26 10.539 2.569 -0.054 291 2H2 G 26 2H2 G 26 10.571 1.865 -1.656 292 1H2* G 26 1H2* G 26 14.256 -3.844 -2.098 293 2H2* G 26 2H2* G 26 14.136 -2.452 -3.166 294 1H5* A 27 1H5* A 27 12.158 -1.665 -5.844 295 2H5* A 27 2H5* A 27 12.508 -1.317 -7.550 296 H4* A 27 H4* A 27 11.748 0.709 -6.825 297 H3* A 27 H3* A 27 14.345 0.785 -7.515 298 H1* A 27 H1* A 27 13.178 2.407 -4.215 299 H8 A 27 H8 A 27 14.781 -1.075 -3.574 300 1H6 A 27 1H6 A 27 15.116 0.738 2.325 301 2H6 A 27 2H6 A 27 15.458 -0.550 1.189 302 H2 A 27 H2 A 27 13.161 4.027 -0.032 303 1H2* A 27 1H2* A 27 15.288 0.496 -5.325 304 2H2* A 27 2H2* A 27 15.243 2.249 -5.437 305 1H5* G 28 1H5* G 28 12.857 3.651 -4.100 306 2H5* G 28 2H5* G 28 12.197 4.401 -5.570 307 H4* G 28 H4* G 28 11.994 6.192 -4.257 308 H3* G 28 H3* G 28 14.134 6.595 -5.808 309 H1* G 28 H1* G 28 14.621 6.990 -1.876 310 H8 G 28 H8 G 28 15.810 3.718 -3.579 311 H1 G 28 H1 G 28 17.480 4.474 2.575 312 1H2 G 28 1H2 G 28 16.635 6.353 3.363 313 2H2 G 28 2H2 G 28 15.649 7.415 2.382 314 1H2* G 28 1H2* G 28 15.901 5.917 -4.386 315 2H2* G 28 2H2* G 28 15.754 7.576 -3.824 316 1H5* C 29 1H5* C 29 13.706 9.077 -2.508 317 2H5* C 29 2H5* C 29 13.756 10.850 -2.546 318 H4* C 29 H4* C 29 14.817 10.235 -0.566 319 H3* C 29 H3* C 29 16.389 11.545 -2.510 320 H1* C 29 H1* C 29 17.366 8.893 0.074 321 1H4 C 29 1H4 C 29 20.574 3.699 -1.594 322 2H4 C 29 2H4 C 29 20.036 3.812 -3.256 323 H5 C 29 H5 C 29 18.630 5.613 -4.063 324 H6 C 29 H6 C 29 17.434 7.644 -3.435 325 1H2* C 29 1H2* C 29 18.038 9.865 -2.751 326 2H2* C 29 2H2* C 29 18.602 10.506 -1.214 327 1H5* C 30 1H5* C 30 16.724 11.954 2.008 328 2H5* C 30 2H5* C 30 16.904 13.686 2.360 329 H4* C 30 H4* C 30 17.639 12.471 4.254 330 H3* C 30 H3* C 30 19.226 14.373 3.229 331 H1* C 30 H1* C 30 20.783 10.789 3.885 332 1H4 C 30 1H4 C 30 22.237 7.416 -1.264 333 2H4 C 30 2H4 C 30 21.523 8.604 -2.331 334 H5 C 30 H5 C 30 20.446 10.615 -1.524 335 H6 C 30 H6 C 30 19.823 11.884 0.465 336 H3T C 30 H3T C 30 19.850 12.631 5.388 337 1H2* C 30 1H2* C 30 20.708 13.079 1.910 338 2H2* C 30 2H2* C 30 21.558 12.958 3.443 339 1H ASP 10 1H ASP 10 -4.192 13.255 8.377 340 HA ASP 10 HA ASP 10 -6.091 13.532 10.617 341 1HB ASP 10 1HB ASP 10 -4.258 15.260 10.538 342 2HB ASP 10 2HB ASP 10 -4.914 15.795 8.992 343 H GLU 11 H GLU 11 -5.699 13.067 7.344 344 HA GLU 11 HA GLU 11 -8.310 14.206 6.654 345 1HB GLU 11 1HB GLU 11 -6.141 13.135 4.843 346 2HB GLU 11 2HB GLU 11 -7.610 13.958 4.336 347 1HG GLU 11 1HG GLU 11 -6.895 16.007 5.232 348 2HG GLU 11 2HG GLU 11 -5.557 15.248 6.094 349 H LEU 12 H LEU 12 -9.871 12.923 5.628 350 HA LEU 12 HA LEU 12 -9.581 10.071 6.128 351 1HB LEU 12 1HB LEU 12 -11.981 11.827 5.659 352 2HB LEU 12 2HB LEU 12 -12.082 10.075 5.691 353 HG LEU 12 HG LEU 12 -11.065 10.194 8.005 354 1HD1 LEU 12 1HD1 LEU 12 -11.745 13.100 7.694 355 2HD1 LEU 12 2HD1 LEU 12 -10.155 12.392 8.000 356 3HD1 LEU 12 3HD1 LEU 12 -11.414 12.302 9.233 357 1HD2 LEU 12 1HD2 LEU 12 -13.210 10.709 9.070 358 2HD2 LEU 12 2HD2 LEU 12 -13.409 9.695 7.641 359 3HD2 LEU 12 3HD2 LEU 12 -13.778 11.417 7.557 360 H CYS 13 H CYS 13 -9.763 8.565 4.594 361 HA CYS 13 HA CYS 13 -9.023 9.071 1.968 362 1HB CYS 13 1HB CYS 13 -8.782 6.896 3.068 363 2HB CYS 13 2HB CYS 13 -10.529 6.707 3.109 364 HG CYS 13 HG CYS 13 -9.974 5.024 1.136 365 HA PRO 14 HA PRO 14 -12.826 10.775 0.379 366 1HB PRO 14 1HB PRO 14 -12.064 10.872 -2.236 367 2HB PRO 14 2HB PRO 14 -11.535 12.044 -1.025 368 1HG PRO 14 1HG PRO 14 -10.098 9.646 -2.095 369 2HG PRO 14 2HG PRO 14 -9.473 11.275 -1.773 370 1HD PRO 14 1HD PRO 14 -9.062 9.224 -0.074 371 2HD PRO 14 2HD PRO 14 -9.279 10.891 0.496 372 H VAL 15 H VAL 15 -11.520 7.716 -0.359 373 HA VAL 15 HA VAL 15 -13.622 6.889 -2.148 374 HB VAL 15 HB VAL 15 -11.614 5.200 -0.640 375 1HG1 VAL 15 1HG1 VAL 15 -13.374 4.526 -2.992 376 2HG1 VAL 15 2HG1 VAL 15 -13.531 3.898 -1.350 377 3HG1 VAL 15 3HG1 VAL 15 -12.117 3.485 -2.321 378 1HG2 VAL 15 1HG2 VAL 15 -10.505 6.782 -2.112 379 2HG2 VAL 15 2HG2 VAL 15 -11.520 6.262 -3.457 380 3HG2 VAL 15 3HG2 VAL 15 -10.362 5.140 -2.741 381 H CYS 16 H CYS 16 -12.981 6.819 1.289 382 HA CYS 16 HA CYS 16 -15.619 5.646 1.730 383 1HB CYS 16 1HB CYS 16 -14.524 4.242 3.589 384 2HB CYS 16 2HB CYS 16 -14.324 3.706 1.923 385 HG CYS 16 HG CYS 16 -12.014 4.090 4.100 386 H GLY 17 H GLY 17 -13.060 6.142 4.119 387 1HA GLY 17 1HA GLY 17 -13.466 8.669 4.999 388 2HA GLY 17 2HA GLY 17 -14.848 7.807 5.658 389 H ASP 18 H ASP 18 -11.485 6.734 5.269 390 HA ASP 18 HA ASP 18 -11.291 6.555 8.211 391 1HB ASP 18 1HB ASP 18 -9.576 4.976 6.289 392 2HB ASP 18 2HB ASP 18 -9.822 4.696 8.008 393 H LYS 19 H LYS 19 -9.292 7.279 9.137 394 HA LYS 19 HA LYS 19 -8.054 9.455 7.910 395 1HB LYS 19 1HB LYS 19 -7.033 7.631 10.093 396 2HB LYS 19 2HB LYS 19 -6.191 9.086 9.576 397 1HG LYS 19 1HG LYS 19 -8.375 10.312 10.087 398 2HG LYS 19 2HG LYS 19 -8.840 8.846 10.955 399 1HD LYS 19 1HD LYS 19 -6.861 9.037 12.361 400 2HD LYS 19 2HD LYS 19 -6.351 10.472 11.471 401 1HE LYS 19 1HE LYS 19 -8.534 11.529 12.165 402 2HE LYS 19 2HE LYS 19 -8.761 10.155 13.246 403 1HZ LYS 19 1HZ LYS 19 -6.607 10.742 14.285 404 2HZ LYS 19 2HZ LYS 19 -7.784 11.949 14.464 405 3HZ LYS 19 3HZ LYS 19 -6.549 12.135 13.325 406 H VAL 20 H VAL 20 -6.551 9.669 6.441 407 HA VAL 20 HA VAL 20 -5.910 7.491 4.787 408 HB VAL 20 HB VAL 20 -4.535 9.092 3.521 409 1HG1 VAL 20 1HG1 VAL 20 -7.200 10.155 4.448 410 2HG1 VAL 20 2HG1 VAL 20 -6.928 9.001 3.142 411 3HG1 VAL 20 3HG1 VAL 20 -6.352 10.661 2.988 412 1HG2 VAL 20 1HG2 VAL 20 -3.572 10.361 5.357 413 2HG2 VAL 20 2HG2 VAL 20 -5.167 10.975 5.795 414 3HG2 VAL 20 3HG2 VAL 20 -4.431 11.442 4.259 415 H SER 21 H SER 21 -3.968 6.517 4.285 416 HA SER 21 HA SER 21 -2.080 6.412 6.515 417 1HB SER 21 1HB SER 21 -2.351 4.543 4.146 418 2HB SER 21 2HB SER 21 -1.417 4.258 5.616 419 HG SER 21 HG SER 21 -3.439 4.369 6.768 420 H GLY 22 H GLY 22 -2.242 8.459 4.258 421 1HA GLY 22 1HA GLY 22 -0.129 9.719 3.934 422 2HA GLY 22 2HA GLY 22 0.572 8.197 3.404 423 H TYR 23 H TYR 23 0.976 10.078 1.693 424 HA TYR 23 HA TYR 23 -1.187 10.162 -0.264 425 1HB TYR 23 1HB TYR 23 0.077 12.229 0.261 426 2HB TYR 23 2HB TYR 23 1.550 11.462 -0.318 427 HD1 TYR 23 HD1 TYR 23 -1.927 12.119 -1.533 428 HD2 TYR 23 HD2 TYR 23 2.221 12.004 -2.451 429 HE1 TYR 23 HE1 TYR 23 -2.414 12.927 -3.803 430 HE2 TYR 23 HE2 TYR 23 1.747 12.809 -4.727 431 HH TYR 23 HH TYR 23 -1.218 14.123 -5.631 432 H HIS 24 H HIS 24 -1.365 8.429 -1.507 433 HA HIS 24 HA HIS 24 0.885 7.525 -3.063 434 1HB HIS 24 1HB HIS 24 0.575 5.116 -2.422 435 2HB HIS 24 2HB HIS 24 1.314 6.118 -1.180 436 HD1 HIS 24 HD1 HIS 24 -1.164 3.592 -1.598 437 HD2 HIS 24 HD2 HIS 24 -0.802 6.954 0.808 438 HE1 HIS 24 HE1 HIS 24 -2.727 3.210 0.332 439 HE2 HIS 24 HE2 HIS 24 -2.669 5.371 1.627 440 H TYR 25 H TYR 25 0.300 6.250 -4.848 441 HA TYR 25 HA TYR 25 -1.005 5.637 -6.601 442 1HB TYR 25 1HB TYR 25 -3.159 5.563 -4.488 443 2HB TYR 25 2HB TYR 25 -3.496 5.226 -6.180 444 HD1 TYR 25 HD1 TYR 25 -3.030 3.106 -7.112 445 HD2 TYR 25 HD2 TYR 25 -1.560 4.067 -3.238 446 HE1 TYR 25 HE1 TYR 25 -2.412 0.751 -6.770 447 HE2 TYR 25 HE2 TYR 25 -0.933 1.715 -2.888 448 HH TYR 25 HH TYR 25 -0.789 -0.552 -5.363 449 H GLY 26 H GLY 26 -0.692 8.448 -5.439 450 1HA GLY 26 1HA GLY 26 -1.040 10.505 -6.461 451 2HA GLY 26 2HA GLY 26 -2.254 9.759 -7.491 452 H LEU 27 H LEU 27 -2.576 9.157 -4.132 453 HA LEU 27 HA LEU 27 -4.303 11.420 -3.628 454 1HB LEU 27 1HB LEU 27 -5.301 8.685 -4.197 455 2HB LEU 27 2HB LEU 27 -6.077 9.577 -2.905 456 HG LEU 27 HG LEU 27 -5.806 10.596 -5.726 457 1HD1 LEU 27 1HD1 LEU 27 -8.170 10.034 -5.942 458 2HD1 LEU 27 2HD1 LEU 27 -8.147 9.308 -4.334 459 3HD1 LEU 27 3HD1 LEU 27 -7.197 8.596 -5.638 460 1HD2 LEU 27 1HD2 LEU 27 -7.407 11.530 -3.350 461 2HD2 LEU 27 2HD2 LEU 27 -7.508 12.204 -4.979 462 3HD2 LEU 27 3HD2 LEU 27 -6.011 12.344 -4.057 463 H LEU 28 H LEU 28 -5.076 11.516 -1.447 464 HA LEU 28 HA LEU 28 -3.475 10.120 0.503 465 1HB LEU 28 1HB LEU 28 -5.832 11.995 0.796 466 2HB LEU 28 2HB LEU 28 -5.003 11.265 2.153 467 HG LEU 28 HG LEU 28 -4.207 13.486 1.955 468 1HD1 LEU 28 1HD1 LEU 28 -2.161 11.621 0.774 469 2HD1 LEU 28 2HD1 LEU 28 -2.507 11.845 2.489 470 3HD1 LEU 28 3HD1 LEU 28 -1.823 13.170 1.547 471 1HD2 LEU 28 1HD2 LEU 28 -4.890 13.958 -0.321 472 2HD2 LEU 28 2HD2 LEU 28 -3.628 12.895 -0.941 473 3HD2 LEU 28 3HD2 LEU 28 -3.193 14.376 -0.086 474 H THR 29 H THR 29 -3.903 8.007 0.681 475 HA THR 29 HA THR 29 -6.721 7.182 0.823 476 HB THR 29 HB THR 29 -5.963 5.074 -0.412 477 HG1 THR 29 HG1 THR 29 -3.983 6.621 -1.634 478 1HG2 THR 29 1HG2 THR 29 -6.228 6.135 -2.618 479 2HG2 THR 29 2HG2 THR 29 -5.985 7.719 -1.880 480 3HG2 THR 29 3HG2 THR 29 -7.397 6.753 -1.452 481 H CYS 30 H CYS 30 -7.167 5.366 2.096 482 HA CYS 30 HA CYS 30 -5.229 4.946 4.212 483 1HB CYS 30 1HB CYS 30 -7.111 3.707 5.305 484 2HB CYS 30 2HB CYS 30 -7.490 5.381 4.913 485 HG CYS 30 HG CYS 30 -9.740 3.725 4.478 486 H GLU 31 H GLU 31 -4.799 2.774 5.017 487 HA GLU 31 HA GLU 31 -3.761 1.062 3.082 488 1HB GLU 31 1HB GLU 31 -3.108 1.187 5.503 489 2HB GLU 31 2HB GLU 31 -4.574 0.300 5.892 490 1HG GLU 31 1HG GLU 31 -2.700 -1.200 5.866 491 2HG GLU 31 2HG GLU 31 -3.777 -1.578 4.523 492 H SER 32 H SER 32 -6.908 1.134 4.604 493 HA SER 32 HA SER 32 -7.867 -1.401 3.989 494 1HB SER 32 1HB SER 32 -9.562 1.089 3.857 495 2HB SER 32 2HB SER 32 -10.020 -0.519 4.420 496 HG SER 32 HG SER 32 -8.400 -0.145 6.135 497 H CYS 33 H CYS 33 -8.044 1.596 2.069 498 HA CYS 33 HA CYS 33 -9.331 0.331 -0.136 499 1HB CYS 33 1HB CYS 33 -7.931 2.994 0.105 500 2HB CYS 33 2HB CYS 33 -8.773 2.458 -1.348 501 HG CYS 33 HG CYS 33 -10.940 3.595 -0.605 502 H LYS 34 H LYS 34 -5.973 1.168 0.631 503 HA LYS 34 HA LYS 34 -4.847 0.493 -1.845 504 1HB LYS 34 1HB LYS 34 -3.679 1.588 0.140 505 2HB LYS 34 2HB LYS 34 -3.506 -0.030 0.807 506 1HG LYS 34 1HG LYS 34 -2.314 -0.674 -1.304 507 2HG LYS 34 2HG LYS 34 -2.333 1.031 -1.753 508 1HD LYS 34 1HD LYS 34 -0.244 0.760 -0.762 509 2HD LYS 34 2HD LYS 34 -1.229 1.421 0.546 510 1HE LYS 34 1HE LYS 34 -1.641 -0.960 1.271 511 2HE LYS 34 2HE LYS 34 -0.399 -1.441 0.117 512 1HZ LYS 34 1HZ LYS 34 -0.057 0.345 2.463 513 2HZ LYS 34 2HZ LYS 34 1.153 0.041 1.314 514 3HZ LYS 34 3HZ LYS 34 0.567 -1.216 2.281 515 H GLY 35 H GLY 35 -5.540 -1.510 0.997 516 1HA GLY 35 1HA GLY 35 -4.483 -3.928 0.040 517 2HA GLY 35 2HA GLY 35 -5.756 -3.779 1.241 518 H PHE 36 H PHE 36 -7.828 -2.720 -0.095 519 HA PHE 36 HA PHE 36 -8.826 -4.936 -1.549 520 1HB PHE 36 1HB PHE 36 -10.351 -3.519 -0.326 521 2HB PHE 36 2HB PHE 36 -9.862 -2.106 -1.251 522 HD1 PHE 36 HD1 PHE 36 -11.566 -5.382 -1.526 523 HD2 PHE 36 HD2 PHE 36 -10.949 -1.536 -3.240 524 HE1 PHE 36 HE1 PHE 36 -13.383 -5.808 -3.128 525 HE2 PHE 36 HE2 PHE 36 -12.765 -1.955 -4.845 526 HZ PHE 36 HZ PHE 36 -13.985 -4.093 -4.789 527 H PHE 37 H PHE 37 -7.551 -1.796 -2.564 528 HA PHE 37 HA PHE 37 -8.202 -1.924 -5.276 529 1HB PHE 37 1HB PHE 37 -7.192 0.027 -3.914 530 2HB PHE 37 2HB PHE 37 -5.635 -0.712 -4.265 531 HD1 PHE 37 HD1 PHE 37 -4.569 -0.344 -6.326 532 HD2 PHE 37 HD2 PHE 37 -8.658 0.727 -5.830 533 HE1 PHE 37 HE1 PHE 37 -4.521 0.836 -8.488 534 HE2 PHE 37 HE2 PHE 37 -8.617 1.905 -7.987 535 HZ PHE 37 HZ PHE 37 -6.552 1.962 -9.322 536 H LYS 38 H LYS 38 -5.287 -3.015 -3.565 537 HA LYS 38 HA LYS 38 -3.908 -4.087 -5.730 538 1HB LYS 38 1HB LYS 38 -3.996 -4.961 -2.841 539 2HB LYS 38 2HB LYS 38 -2.897 -5.659 -4.021 540 1HG LYS 38 1HG LYS 38 -1.875 -3.475 -4.379 541 2HG LYS 38 2HG LYS 38 -2.991 -2.759 -3.215 542 1HD LYS 38 1HD LYS 38 -1.015 -4.951 -2.583 543 2HD LYS 38 2HD LYS 38 -0.750 -3.237 -2.264 544 1HE LYS 38 1HE LYS 38 -2.719 -3.216 -0.801 545 2HE LYS 38 2HE LYS 38 -2.962 -4.934 -1.111 546 1HZ LYS 38 1HZ LYS 38 -0.892 -5.432 -0.044 547 2HZ LYS 38 2HZ LYS 38 -1.806 -4.466 1.004 548 3HZ LYS 38 3HZ LYS 38 -0.522 -3.790 0.135 549 H ARG 39 H ARG 39 -6.088 -5.799 -3.475 550 HA ARG 39 HA ARG 39 -5.929 -8.281 -4.725 551 1HB ARG 39 1HB ARG 39 -7.980 -7.039 -2.937 552 2HB ARG 39 2HB ARG 39 -8.252 -8.634 -3.631 553 1HG ARG 39 1HG ARG 39 -6.023 -9.294 -2.685 554 2HG ARG 39 2HG ARG 39 -6.036 -7.772 -1.806 555 1HD ARG 39 1HD ARG 39 -7.843 -8.409 -0.488 556 2HD ARG 39 2HD ARG 39 -8.350 -9.663 -1.622 557 HE ARG 39 HE ARG 39 -5.755 -10.067 -0.383 558 1HH1 ARG 39 1HH1 ARG 39 -9.190 -10.748 -0.262 559 2HH1 ARG 39 2HH1 ARG 39 -9.010 -12.190 0.689 560 1HH2 ARG 39 1HH2 ARG 39 -5.507 -11.961 0.851 561 2HH2 ARG 39 2HH2 ARG 39 -6.903 -12.871 1.347 562 H THR 40 H THR 40 -7.873 -5.517 -5.552 563 HA THR 40 HA THR 40 -9.606 -7.018 -7.297 564 HB THR 40 HB THR 40 -9.278 -4.026 -7.032 565 HG1 THR 40 HG1 THR 40 -9.986 -4.781 -5.076 566 1HG2 THR 40 1HG2 THR 40 -11.519 -3.934 -8.026 567 2HG2 THR 40 2HG2 THR 40 -11.510 -5.688 -8.212 568 3HG2 THR 40 3HG2 THR 40 -10.365 -4.699 -9.119 569 H VAL 41 H VAL 41 -7.101 -4.504 -7.787 570 HA VAL 41 HA VAL 41 -7.314 -4.604 -10.621 571 HB VAL 41 HB VAL 41 -5.006 -3.516 -9.001 572 1HG1 VAL 41 1HG1 VAL 41 -5.957 -2.811 -11.774 573 2HG1 VAL 41 2HG1 VAL 41 -4.551 -3.806 -11.401 574 3HG1 VAL 41 3HG1 VAL 41 -4.579 -2.108 -10.923 575 1HG2 VAL 41 1HG2 VAL 41 -6.137 -1.361 -9.120 576 2HG2 VAL 41 2HG2 VAL 41 -7.122 -2.546 -8.263 577 3HG2 VAL 41 3HG2 VAL 41 -7.510 -2.117 -9.930 578 H GLN 42 H GLN 42 -5.164 -6.168 -8.295 579 HA GLN 42 HA GLN 42 -3.228 -7.080 -10.122 580 1HB GLN 42 1HB GLN 42 -4.097 -8.156 -7.444 581 2HB GLN 42 2HB GLN 42 -2.746 -8.821 -8.351 582 1HG GLN 42 1HG GLN 42 -1.550 -6.755 -8.208 583 2HG GLN 42 2HG GLN 42 -2.943 -5.948 -7.487 584 1HE2 GLN 42 1HE2 GLN 42 -0.198 -6.318 -6.495 585 2HE2 GLN 42 2HE2 GLN 42 -0.363 -7.105 -4.960 586 H ASN 43 H ASN 43 -6.447 -8.173 -9.541 587 HA ASN 43 HA ASN 43 -5.867 -10.623 -11.068 588 1HB ASN 43 1HB ASN 43 -8.128 -10.077 -9.131 589 2HB ASN 43 2HB ASN 43 -7.956 -11.545 -10.086 590 1HD2 ASN 43 1HD2 ASN 43 -6.873 -9.784 -7.322 591 2HD2 ASN 43 2HD2 ASN 43 -5.840 -11.017 -6.685 592 H ASN 44 H ASN 44 -6.936 -7.600 -11.435 593 HA ASN 44 HA ASN 44 -8.126 -6.475 -13.011 594 1HB ASN 44 1HB ASN 44 -7.906 -9.146 -14.406 595 2HB ASN 44 2HB ASN 44 -8.683 -7.756 -15.144 596 1HD2 ASN 44 1HD2 ASN 44 -5.849 -7.522 -13.095 597 2HD2 ASN 44 2HD2 ASN 44 -4.747 -7.068 -14.349 598 H LYS 45 H LYS 45 -9.482 -7.558 -10.831 599 HA LYS 45 HA LYS 45 -11.761 -9.067 -11.642 600 1HB LYS 45 1HB LYS 45 -10.977 -7.715 -9.080 601 2HB LYS 45 2HB LYS 45 -12.516 -8.528 -9.269 602 1HG LYS 45 1HG LYS 45 -11.199 -10.580 -9.935 603 2HG LYS 45 2HG LYS 45 -9.771 -9.718 -9.358 604 1HD LYS 45 1HD LYS 45 -10.750 -9.508 -7.155 605 2HD LYS 45 2HD LYS 45 -12.242 -10.261 -7.718 606 1HE LYS 45 1HE LYS 45 -10.908 -12.295 -8.276 607 2HE LYS 45 2HE LYS 45 -9.524 -11.534 -7.492 608 1HZ LYS 45 1HZ LYS 45 -12.117 -12.211 -6.209 609 2HZ LYS 45 2HZ LYS 45 -10.836 -11.411 -5.441 610 3HZ LYS 45 3HZ LYS 45 -10.638 -13.014 -5.973 611 H HIS 46 H HIS 46 -13.478 -8.320 -12.624 612 HA HIS 46 HA HIS 46 -14.389 -5.587 -12.002 613 1HB HIS 46 1HB HIS 46 -14.902 -7.354 -14.399 614 2HB HIS 46 2HB HIS 46 -15.821 -5.903 -14.077 615 HD1 HIS 46 HD1 HIS 46 -14.985 -3.893 -15.242 616 HD2 HIS 46 HD2 HIS 46 -12.023 -6.687 -14.515 617 HE1 HIS 46 HE1 HIS 46 -12.906 -2.957 -16.311 618 HE2 HIS 46 HE2 HIS 46 -11.175 -4.777 -16.048 619 H TYR 47 H TYR 47 -15.590 -5.878 -10.206 620 HA TYR 47 HA TYR 47 -17.272 -8.144 -9.787 621 1HB TYR 47 1HB TYR 47 -17.322 -5.489 -8.338 622 2HB TYR 47 2HB TYR 47 -17.983 -7.014 -7.762 623 HD1 TYR 47 HD1 TYR 47 -15.032 -4.955 -8.068 624 HD2 TYR 47 HD2 TYR 47 -16.429 -8.854 -7.104 625 HE1 TYR 47 HE1 TYR 47 -12.896 -5.439 -6.957 626 HE2 TYR 47 HE2 TYR 47 -14.295 -9.350 -5.992 627 HH TYR 47 HH TYR 47 -11.907 -6.872 -5.413 628 H THR 48 H THR 48 -19.650 -7.668 -9.098 629 HA THR 48 HA THR 48 -20.882 -5.774 -10.986 630 HB THR 48 HB THR 48 -21.897 -8.593 -10.572 631 HG1 THR 48 HG1 THR 48 -20.257 -7.465 -12.608 632 1HG2 THR 48 1HG2 THR 48 -22.618 -6.461 -12.589 633 2HG2 THR 48 2HG2 THR 48 -23.607 -6.963 -11.217 634 3HG2 THR 48 3HG2 THR 48 -23.285 -8.092 -12.531 635 H CYS 49 H CYS 49 -22.445 -4.572 -10.070 636 HA CYS 49 HA CYS 49 -23.296 -5.294 -7.361 637 1HB CYS 49 1HB CYS 49 -22.324 -3.041 -7.733 638 2HB CYS 49 2HB CYS 49 -23.637 -2.678 -8.845 639 HG CYS 49 HG CYS 49 -23.581 -1.843 -5.839 640 H THR 50 H THR 50 -25.622 -4.685 -6.838 641 HA THR 50 HA THR 50 -27.248 -6.387 -8.426 642 HB THR 50 HB THR 50 -29.054 -5.649 -6.800 643 HG1 THR 50 HG1 THR 50 -28.516 -4.239 -5.208 644 1HG2 THR 50 1HG2 THR 50 -27.706 -7.655 -6.423 645 2HG2 THR 50 2HG2 THR 50 -28.044 -6.833 -4.900 646 3HG2 THR 50 3HG2 THR 50 -26.456 -6.680 -5.651 647 H GLU 51 H GLU 51 -27.749 -2.992 -7.506 648 HA GLU 51 HA GLU 51 -29.769 -2.690 -9.562 649 1HB GLU 51 1HB GLU 51 -30.054 -0.433 -8.511 650 2HB GLU 51 2HB GLU 51 -30.264 -1.781 -7.403 651 1HG GLU 51 1HG GLU 51 -27.993 -1.443 -6.560 652 2HG GLU 51 2HG GLU 51 -27.795 -0.078 -7.659 653 H SER 52 H SER 52 -28.962 0.302 -9.521 654 HA SER 52 HA SER 52 -27.722 0.369 -12.051 655 1HB SER 52 1HB SER 52 -27.887 2.645 -10.070 656 2HB SER 52 2HB SER 52 -27.831 2.750 -11.830 657 HG SER 52 HG SER 52 -29.935 2.864 -11.558 658 H GLN 53 H GLN 53 -26.373 -0.360 -9.151 659 HA GLN 53 HA GLN 53 -24.254 -0.815 -8.527 660 1HB GLN 53 1HB GLN 53 -23.501 0.084 -11.312 661 2HB GLN 53 2HB GLN 53 -22.460 -0.794 -10.199 662 1HG GLN 53 1HG GLN 53 -24.163 -2.630 -10.206 663 2HG GLN 53 2HG GLN 53 -24.984 -1.772 -11.507 664 1HE2 GLN 53 1HE2 GLN 53 -24.036 -1.693 -13.539 665 2HE2 GLN 53 2HE2 GLN 53 -22.727 -2.733 -13.994 666 H SER 54 H SER 54 -25.449 2.094 -8.787 667 HA SER 54 HA SER 54 -22.967 3.480 -8.061 668 1HB SER 54 1HB SER 54 -25.622 4.697 -8.873 669 2HB SER 54 2HB SER 54 -24.111 5.564 -8.592 670 HG SER 54 HG SER 54 -24.173 3.491 -10.487 671 H CYS 55 H CYS 55 -23.071 2.460 -5.998 672 HA CYS 55 HA CYS 55 -25.265 3.319 -4.254 673 1HB CYS 55 1HB CYS 55 -23.149 1.219 -3.746 674 2HB CYS 55 2HB CYS 55 -24.588 1.520 -2.776 675 HG CYS 55 HG CYS 55 -25.067 -0.827 -4.127 676 H LYS 56 H LYS 56 -24.492 3.612 -1.891 677 HA LYS 56 HA LYS 56 -22.460 5.679 -1.888 678 1HB LYS 56 1HB LYS 56 -24.148 4.563 0.363 679 2HB LYS 56 2HB LYS 56 -23.119 5.985 0.467 680 1HG LYS 56 1HG LYS 56 -24.495 7.172 -1.095 681 2HG LYS 56 2HG LYS 56 -25.456 5.725 -1.410 682 1HD LYS 56 1HD LYS 56 -25.248 7.143 1.246 683 2HD LYS 56 2HD LYS 56 -26.595 7.287 0.114 684 1HE LYS 56 1HE LYS 56 -25.683 4.729 1.428 685 2HE LYS 56 2HE LYS 56 -27.058 5.704 1.946 686 1HZ LYS 56 1HZ LYS 56 -28.155 5.276 -0.126 687 2HZ LYS 56 2HZ LYS 56 -27.682 3.792 0.542 688 3HZ LYS 56 3HZ LYS 56 -26.801 4.460 -0.744 689 H ILE 57 H ILE 57 -20.497 5.573 -0.811 690 HA ILE 57 HA ILE 57 -19.656 2.833 -0.154 691 HB ILE 57 HB ILE 57 -17.839 5.145 -0.831 692 1HG1 ILE 57 1HG1 ILE 57 -19.284 4.677 -2.748 693 2HG1 ILE 57 2HG1 ILE 57 -17.643 4.124 -3.072 694 1HG2 ILE 57 1HG2 ILE 57 -17.379 2.163 -0.738 695 2HG2 ILE 57 2HG2 ILE 57 -16.797 3.342 0.438 696 3HG2 ILE 57 3HG2 ILE 57 -16.188 3.372 -1.217 697 1HD1 ILE 57 1HD1 ILE 57 -18.322 1.835 -2.557 698 2HD1 ILE 57 2HD1 ILE 57 -19.282 2.526 -3.865 699 3HD1 ILE 57 3HD1 ILE 57 -19.964 2.396 -2.244 700 H ASP 58 H ASP 58 -20.059 2.644 1.964 701 HA ASP 58 HA ASP 58 -18.638 4.504 3.741 702 1HB ASP 58 1HB ASP 58 -20.437 4.262 5.413 703 2HB ASP 58 2HB ASP 58 -21.013 5.018 3.933 704 H LYS 59 H LYS 59 -18.748 3.367 6.080 705 HA LYS 59 HA LYS 59 -16.802 1.415 5.917 706 1HB LYS 59 1HB LYS 59 -17.078 2.775 7.883 707 2HB LYS 59 2HB LYS 59 -18.665 2.090 8.192 708 1HG LYS 59 1HG LYS 59 -17.747 0.004 8.814 709 2HG LYS 59 2HG LYS 59 -16.155 0.440 8.191 710 1HD LYS 59 1HD LYS 59 -16.269 0.546 10.651 711 2HD LYS 59 2HD LYS 59 -15.890 2.106 9.925 712 1HE LYS 59 1HE LYS 59 -17.504 2.324 11.752 713 2HE LYS 59 2HE LYS 59 -18.193 2.824 10.210 714 1HZ LYS 59 1HZ LYS 59 -18.593 0.084 11.242 715 2HZ LYS 59 2HZ LYS 59 -19.516 0.936 10.099 716 3HZ LYS 59 3HZ LYS 59 -19.591 1.361 11.736 717 H THR 60 H THR 60 -20.307 0.977 6.113 718 HA THR 60 HA THR 60 -19.960 -1.898 6.372 719 HB THR 60 HB THR 60 -22.532 -1.879 6.165 720 HG1 THR 60 HG1 THR 60 -22.086 0.700 5.736 721 1HG2 THR 60 1HG2 THR 60 -21.161 -0.594 8.524 722 2HG2 THR 60 2HG2 THR 60 -21.349 -2.325 8.241 723 3HG2 THR 60 3HG2 THR 60 -22.768 -1.320 8.543 724 H GLN 61 H GLN 61 -21.290 0.382 3.957 725 HA GLN 61 HA GLN 61 -22.139 -1.754 2.261 726 1HB GLN 61 1HB GLN 61 -21.880 1.186 1.645 727 2HB GLN 61 2HB GLN 61 -22.689 0.000 0.629 728 1HG GLN 61 1HG GLN 61 -24.000 -0.429 2.916 729 2HG GLN 61 2HG GLN 61 -23.567 1.265 3.144 730 1HE2 GLN 61 1HE2 GLN 61 -25.645 2.017 2.968 731 2HE2 GLN 61 2HE2 GLN 61 -26.532 1.997 1.475 732 H ARG 62 H ARG 62 -19.117 -0.217 2.667 733 HA ARG 62 HA ARG 62 -18.172 -0.546 0.001 734 1HB ARG 62 1HB ARG 62 -15.942 -0.151 0.907 735 2HB ARG 62 2HB ARG 62 -17.092 1.020 1.531 736 1HG ARG 62 1HG ARG 62 -17.241 -0.325 3.616 737 2HG ARG 62 2HG ARG 62 -15.957 -1.361 2.983 738 1HD ARG 62 1HD ARG 62 -14.422 0.471 2.919 739 2HD ARG 62 2HD ARG 62 -15.698 1.621 3.311 740 HE ARG 62 HE ARG 62 -15.561 -0.235 5.393 741 1HH1 ARG 62 1HH1 ARG 62 -13.563 2.211 3.929 742 2HH1 ARG 62 2HH1 ARG 62 -12.737 2.638 5.399 743 1HH2 ARG 62 1HH2 ARG 62 -14.469 0.307 7.365 744 2HH2 ARG 62 2HH2 ARG 62 -13.263 1.558 7.351 745 H LYS 63 H LYS 63 -18.978 -2.781 2.308 746 HA LYS 63 HA LYS 63 -17.030 -4.779 1.438 747 1HB LYS 63 1HB LYS 63 -19.291 -5.031 3.431 748 2HB LYS 63 2HB LYS 63 -18.005 -6.201 3.158 749 1HG LYS 63 1HG LYS 63 -16.362 -4.620 3.979 750 2HG LYS 63 2HG LYS 63 -17.621 -3.402 4.197 751 1HD LYS 63 1HD LYS 63 -18.738 -4.874 5.819 752 2HD LYS 63 2HD LYS 63 -17.441 -6.056 5.623 753 1HE LYS 63 1HE LYS 63 -15.823 -4.436 6.436 754 2HE LYS 63 2HE LYS 63 -17.093 -3.223 6.589 755 1HZ LYS 63 1HZ LYS 63 -16.867 -5.752 8.127 756 2HZ LYS 63 2HZ LYS 63 -18.184 -4.687 8.219 757 3HZ LYS 63 3HZ LYS 63 -16.644 -4.179 8.717 758 H ARG 64 H ARG 64 -20.514 -4.167 1.447 759 HA ARG 64 HA ARG 64 -21.143 -6.602 0.084 760 1HB ARG 64 1HB ARG 64 -23.426 -5.749 0.012 761 2HB ARG 64 2HB ARG 64 -22.741 -5.591 1.619 762 1HG ARG 64 1HG ARG 64 -22.410 -3.236 1.305 763 2HG ARG 64 2HG ARG 64 -22.909 -3.352 -0.383 764 1HD ARG 64 1HD ARG 64 -24.620 -3.860 2.048 765 2HD ARG 64 2HD ARG 64 -24.735 -2.489 0.944 766 HE ARG 64 HE ARG 64 -25.058 -5.108 -0.265 767 1HH1 ARG 64 1HH1 ARG 64 -26.672 -2.347 1.174 768 2HH1 ARG 64 2HH1 ARG 64 -28.190 -2.669 0.378 769 1HH2 ARG 64 1HH2 ARG 64 -27.031 -5.536 -1.282 770 2HH2 ARG 64 2HH2 ARG 64 -28.389 -4.485 -1.024 771 H CYS 65 H CYS 65 -20.475 -3.333 -0.866 772 HA CYS 65 HA CYS 65 -20.928 -4.126 -3.664 773 1HB CYS 65 1HB CYS 65 -21.011 -1.394 -2.389 774 2HB CYS 65 2HB CYS 65 -20.989 -1.645 -4.130 775 HG CYS 65 HG CYS 65 -23.364 -3.466 -2.747 776 HA PRO 66 HA PRO 66 -16.345 -3.739 -3.265 777 1HB PRO 66 1HB PRO 66 -15.818 -5.795 -4.983 778 2HB PRO 66 2HB PRO 66 -16.046 -6.012 -3.244 779 1HG PRO 66 1HG PRO 66 -17.973 -6.468 -5.482 780 2HG PRO 66 2HG PRO 66 -17.702 -7.432 -4.020 781 1HD PRO 66 1HD PRO 66 -19.782 -5.714 -4.282 782 2HD PRO 66 2HD PRO 66 -19.015 -6.065 -2.721 783 H PHE 67 H PHE 67 -18.464 -4.217 -6.046 784 HA PHE 67 HA PHE 67 -16.745 -3.167 -8.019 785 1HB PHE 67 1HB PHE 67 -18.709 -4.445 -8.649 786 2HB PHE 67 2HB PHE 67 -19.769 -3.262 -7.889 787 HD1 PHE 67 HD1 PHE 67 -20.693 -1.579 -9.163 788 HD2 PHE 67 HD2 PHE 67 -17.205 -3.562 -10.574 789 HE1 PHE 67 HE1 PHE 67 -20.863 -0.354 -11.289 790 HE2 PHE 67 HE2 PHE 67 -17.367 -2.341 -12.704 791 HZ PHE 67 HZ PHE 67 -19.197 -0.733 -13.063 792 H CYS 68 H CYS 68 -19.371 -1.657 -6.161 793 HA CYS 68 HA CYS 68 -19.077 0.931 -7.185 794 1HB CYS 68 1HB CYS 68 -20.007 0.196 -4.403 795 2HB CYS 68 2HB CYS 68 -20.418 1.646 -5.310 796 HG CYS 68 HG CYS 68 -21.968 0.333 -7.204 797 H ARG 69 H ARG 69 -17.602 -0.684 -4.419 798 HA ARG 69 HA ARG 69 -16.183 1.476 -3.341 799 1HB ARG 69 1HB ARG 69 -16.514 -0.699 -2.221 800 2HB ARG 69 2HB ARG 69 -15.438 -1.454 -3.384 801 1HG ARG 69 1HG ARG 69 -13.600 -0.030 -2.566 802 2HG ARG 69 2HG ARG 69 -14.696 0.639 -1.351 803 1HD ARG 69 1HD ARG 69 -15.067 -1.653 -0.495 804 2HD ARG 69 2HD ARG 69 -13.871 -2.245 -1.643 805 HE ARG 69 HE ARG 69 -12.482 -0.385 -0.302 806 1HH1 ARG 69 1HH1 ARG 69 -14.537 -3.009 0.759 807 2HH1 ARG 69 2HH1 ARG 69 -13.658 -3.278 2.232 808 1HH2 ARG 69 1HH2 ARG 69 -11.315 -0.726 1.650 809 2HH2 ARG 69 2HH2 ARG 69 -11.837 -1.958 2.753 810 H PHE 70 H PHE 70 -15.216 -0.956 -5.735 811 HA PHE 70 HA PHE 70 -12.608 -0.030 -6.183 812 1HB PHE 70 1HB PHE 70 -13.340 -2.222 -6.931 813 2HB PHE 70 2HB PHE 70 -14.517 -1.495 -8.017 814 HD1 PHE 70 HD1 PHE 70 -10.845 -1.372 -7.346 815 HD2 PHE 70 HD2 PHE 70 -13.974 -1.378 -10.230 816 HE1 PHE 70 HE1 PHE 70 -9.176 -1.393 -9.152 817 HE2 PHE 70 HE2 PHE 70 -12.311 -1.399 -12.042 818 HZ PHE 70 HZ PHE 70 -9.907 -1.407 -11.505 819 H GLN 71 H GLN 71 -15.622 0.644 -7.956 820 HA GLN 71 HA GLN 71 -14.506 2.406 -9.820 821 1HB GLN 71 1HB GLN 71 -17.319 2.357 -8.716 822 2HB GLN 71 2HB GLN 71 -16.811 3.244 -10.148 823 1HG GLN 71 1HG GLN 71 -16.754 0.257 -9.781 824 2HG GLN 71 2HG GLN 71 -17.886 1.173 -10.772 825 1HE2 GLN 71 1HE2 GLN 71 -15.849 3.003 -11.762 826 2HE2 GLN 71 2HE2 GLN 71 -14.906 2.107 -12.900 827 H LYS 72 H LYS 72 -15.874 3.029 -6.599 828 HA LYS 72 HA LYS 72 -15.691 5.774 -6.511 829 1HB LYS 72 1HB LYS 72 -16.626 4.227 -4.771 830 2HB LYS 72 2HB LYS 72 -14.976 3.877 -4.275 831 1HG LYS 72 1HG LYS 72 -15.962 5.509 -2.811 832 2HG LYS 72 2HG LYS 72 -14.651 6.241 -3.740 833 1HD LYS 72 1HD LYS 72 -16.181 7.338 -5.188 834 2HD LYS 72 2HD LYS 72 -17.544 6.419 -4.544 835 1HE LYS 72 1HE LYS 72 -17.170 7.450 -2.367 836 2HE LYS 72 2HE LYS 72 -15.880 8.433 -3.052 837 1HZ LYS 72 1HZ LYS 72 -18.786 8.564 -3.614 838 2HZ LYS 72 2HZ LYS 72 -17.645 9.245 -4.669 839 3HZ LYS 72 3HZ LYS 72 -17.758 9.803 -3.071 840 H CYS 73 H CYS 73 -13.175 3.368 -5.788 841 HA CYS 73 HA CYS 73 -11.115 5.078 -5.045 842 1HB CYS 73 1HB CYS 73 -10.873 2.500 -6.618 843 2HB CYS 73 2HB CYS 73 -9.586 3.274 -5.701 844 HG CYS 73 HG CYS 73 -12.446 1.965 -4.345 845 H LEU 74 H LEU 74 -11.877 3.826 -8.308 846 HA LEU 74 HA LEU 74 -9.896 5.357 -9.615 847 1HB LEU 74 1HB LEU 74 -12.368 3.953 -10.572 848 2HB LEU 74 2HB LEU 74 -11.373 4.887 -11.664 849 HG LEU 74 HG LEU 74 -9.431 3.435 -10.935 850 1HD1 LEU 74 1HD1 LEU 74 -11.676 1.767 -9.856 851 2HD1 LEU 74 2HD1 LEU 74 -10.394 2.534 -8.920 852 3HD1 LEU 74 3HD1 LEU 74 -10.006 1.237 -10.051 853 1HD2 LEU 74 1HD2 LEU 74 -10.036 1.647 -12.466 854 2HD2 LEU 74 2HD2 LEU 74 -10.544 3.214 -13.098 855 3HD2 LEU 74 3HD2 LEU 74 -11.730 2.128 -12.373 856 H THR 75 H THR 75 -13.211 6.071 -8.725 857 HA THR 75 HA THR 75 -13.628 8.268 -10.439 858 HB THR 75 HB THR 75 -14.844 7.747 -7.716 859 HG1 THR 75 HG1 THR 75 -15.219 6.098 -9.315 860 1HG2 THR 75 1HG2 THR 75 -16.662 9.208 -8.468 861 2HG2 THR 75 2HG2 THR 75 -15.780 9.543 -9.958 862 3HG2 THR 75 3HG2 THR 75 -15.128 10.078 -8.408 863 H VAL 76 H VAL 76 -12.345 8.101 -7.124 864 HA VAL 76 HA VAL 76 -12.048 10.943 -6.946 865 HB VAL 76 HB VAL 76 -10.748 10.478 -4.872 866 1HG1 VAL 76 1HG1 VAL 76 -12.657 9.604 -3.607 867 2HG1 VAL 76 2HG1 VAL 76 -13.408 9.073 -5.112 868 3HG1 VAL 76 3HG1 VAL 76 -13.163 10.793 -4.808 869 1HG2 VAL 76 1HG2 VAL 76 -11.362 7.601 -5.538 870 2HG2 VAL 76 2HG2 VAL 76 -10.703 8.182 -4.009 871 3HG2 VAL 76 3HG2 VAL 76 -9.763 8.343 -5.493 872 H GLY 77 H GLY 77 -10.073 8.344 -8.126 873 1HA GLY 77 1HA GLY 77 -8.598 9.168 -9.933 874 2HA GLY 77 2HA GLY 77 -8.050 10.387 -8.798 875 H MET 78 H MET 78 -8.534 7.010 -7.881 876 HA MET 78 HA MET 78 -5.744 6.786 -7.205 877 1HB MET 78 1HB MET 78 -7.987 4.763 -7.132 878 2HB MET 78 2HB MET 78 -6.338 4.405 -6.636 879 1HG MET 78 1HG MET 78 -6.535 6.267 -4.973 880 2HG MET 78 2HG MET 78 -8.247 6.358 -5.384 881 1HE MET 78 1HE MET 78 -5.955 3.155 -5.135 882 2HE MET 78 2HE MET 78 -6.238 2.669 -3.464 883 3HE MET 78 3HE MET 78 -5.389 4.177 -3.813 884 H ARG 79 H ARG 79 -4.200 6.268 -8.559 885 HA ARG 79 HA ARG 79 -4.820 5.637 -11.273 886 1HB ARG 79 1HB ARG 79 -2.113 5.676 -9.930 887 2HB ARG 79 2HB ARG 79 -2.430 5.775 -11.658 888 1HG ARG 79 1HG ARG 79 -3.206 7.826 -9.591 889 2HG ARG 79 2HG ARG 79 -1.882 7.958 -10.750 890 1HD ARG 79 1HD ARG 79 -3.389 8.042 -12.587 891 2HD ARG 79 2HD ARG 79 -4.754 7.588 -11.569 892 HE ARG 79 HE ARG 79 -3.648 9.974 -10.587 893 1HH1 ARG 79 1HH1 ARG 79 -5.415 8.793 -13.376 894 2HH1 ARG 79 2HH1 ARG 79 -6.252 10.299 -13.633 895 1HH2 ARG 79 1HH2 ARG 79 -4.719 11.956 -10.951 896 2HH2 ARG 79 2HH2 ARG 79 -5.816 12.105 -12.292 897 H LEU 80 H LEU 80 -5.191 3.721 -12.078 898 HA LEU 80 HA LEU 80 -4.955 1.281 -10.732 899 1HB LEU 80 1HB LEU 80 -5.041 1.837 -13.699 900 2HB LEU 80 2HB LEU 80 -5.266 0.258 -12.974 901 HG LEU 80 HG LEU 80 -7.068 2.598 -12.382 902 1HD1 LEU 80 1HD1 LEU 80 -8.625 1.616 -13.984 903 2HD1 LEU 80 2HD1 LEU 80 -7.421 0.402 -14.417 904 3HD1 LEU 80 3HD1 LEU 80 -7.124 2.104 -14.772 905 1HD2 LEU 80 1HD2 LEU 80 -7.075 0.793 -10.732 906 2HD2 LEU 80 2HD2 LEU 80 -7.386 -0.380 -12.010 907 3HD2 LEU 80 3HD2 LEU 80 -8.595 0.845 -11.624 908 H GLU 81 H GLU 81 -2.802 2.931 -12.943 909 HA GLU 81 HA GLU 81 -1.003 0.727 -13.251 910 1HB GLU 81 1HB GLU 81 0.393 2.353 -14.469 911 2HB GLU 81 2HB GLU 81 -1.273 2.342 -15.030 912 1HG GLU 81 1HG GLU 81 -1.641 4.321 -13.479 913 2HG GLU 81 2HG GLU 81 0.116 4.403 -13.354 914 H ALA 82 H ALA 82 -1.553 2.424 -10.577 915 HA ALA 82 HA ALA 82 1.262 2.725 -9.813 916 1HB ALA 82 1HB ALA 82 -0.228 4.606 -9.315 917 2HB ALA 82 2HB ALA 82 0.432 3.893 -7.842 918 3HB ALA 82 3HB ALA 82 -1.229 3.546 -8.321 919 H VAL 83 H VAL 83 -0.897 0.325 -9.930 920 HA VAL 83 HA VAL 83 -0.192 -0.849 -7.338 921 HB VAL 83 HB VAL 83 -2.605 -0.857 -8.306 922 1HG1 VAL 83 1HG1 VAL 83 -2.073 -1.624 -10.534 923 2HG1 VAL 83 2HG1 VAL 83 -3.142 -2.771 -9.727 924 3HG1 VAL 83 3HG1 VAL 83 -1.422 -3.129 -9.885 925 1HG2 VAL 83 1HG2 VAL 83 -1.381 -3.431 -7.325 926 2HG2 VAL 83 2HG2 VAL 83 -3.096 -3.013 -7.283 927 3HG2 VAL 83 3HG2 VAL 83 -1.939 -2.097 -6.315 928 H ARG 84 H ARG 84 0.935 -2.829 -7.216 929 HA ARG 84 HA ARG 84 2.162 -3.686 -9.752 930 1HB ARG 84 1HB ARG 84 3.653 -2.756 -7.863 931 2HB ARG 84 2HB ARG 84 3.321 -4.274 -7.037 932 1HG ARG 84 1HG ARG 84 5.404 -4.464 -8.208 933 2HG ARG 84 2HG ARG 84 4.206 -5.485 -9.010 934 1HD ARG 84 1HD ARG 84 3.797 -3.540 -10.574 935 2HD ARG 84 2HD ARG 84 5.238 -2.797 -9.885 936 HE ARG 84 HE ARG 84 5.212 -5.368 -11.350 937 1HH1 ARG 84 1HH1 ARG 84 6.788 -2.384 -10.406 938 2HH1 ARG 84 2HH1 ARG 84 8.181 -2.649 -11.411 939 1HH2 ARG 84 1HH2 ARG 84 7.037 -5.724 -12.664 940 2HH2 ARG 84 2HH2 ARG 84 8.338 -4.568 -12.676 941 H ALA 85 H ALA 85 1.212 -5.456 -10.497 942 HA ALA 85 HA ALA 85 -0.133 -7.292 -8.690 943 1HB ALA 85 1HB ALA 85 -0.922 -8.390 -10.701 944 2HB ALA 85 2HB ALA 85 0.137 -7.382 -11.686 945 3HB ALA 85 3HB ALA 85 -1.198 -6.651 -10.794 946 H ASP 86 H ASP 86 2.888 -7.010 -10.231 947 HA ASP 86 HA ASP 86 3.614 -9.654 -10.701 948 1HB ASP 86 1HB ASP 86 5.316 -7.317 -9.822 949 2HB ASP 86 2HB ASP 86 5.971 -8.862 -10.352 950 H ARG 87 H ARG 87 4.973 -7.824 -8.016 951 HA ARG 87 HA ARG 87 4.224 -9.275 -5.841 952 1HB ARG 87 1HB ARG 87 5.121 -11.271 -6.987 953 2HB ARG 87 2HB ARG 87 6.697 -10.505 -7.099 954 1HG ARG 87 1HG ARG 87 6.612 -12.156 -5.313 955 2HG ARG 87 2HG ARG 87 6.895 -10.535 -4.678 956 1HD ARG 87 1HD ARG 87 5.265 -11.836 -3.349 957 2HD ARG 87 2HD ARG 87 4.606 -10.340 -4.004 958 HE ARG 87 HE ARG 87 3.345 -11.613 -5.564 959 1HH1 ARG 87 1HH1 ARG 87 5.074 -13.577 -3.235 960 2HH1 ARG 87 2HH1 ARG 87 3.999 -14.940 -3.403 961 1HH2 ARG 87 1HH2 ARG 87 1.913 -13.378 -5.762 962 2HH2 ARG 87 2HH2 ARG 87 2.188 -14.819 -4.815 963 H MET 88 H MET 88 6.871 -7.782 -7.574 964 HA MET 88 HA MET 88 8.552 -6.974 -5.549 965 1HB MET 88 1HB MET 88 7.747 -5.531 -8.074 966 2HB MET 88 2HB MET 88 9.046 -4.985 -7.022 967 1HG MET 88 1HG MET 88 8.962 -7.707 -8.279 968 2HG MET 88 2HG MET 88 9.759 -6.317 -9.016 969 1HE MET 88 1HE MET 88 12.655 -5.556 -6.561 970 2HE MET 88 2HE MET 88 11.072 -4.784 -6.662 971 3HE MET 88 3HE MET 88 11.940 -5.213 -8.137 972 H ARG 89 H ARG 89 8.411 -5.681 -3.887 973 HA ARG 89 HA ARG 89 5.951 -4.152 -3.482 974 1HB ARG 89 1HB ARG 89 8.145 -4.918 -1.546 975 2HB ARG 89 2HB ARG 89 6.668 -4.070 -1.117 976 1HG ARG 89 1HG ARG 89 5.335 -5.988 -1.672 977 2HG ARG 89 2HG ARG 89 6.750 -6.836 -2.304 978 1HD ARG 89 1HD ARG 89 7.754 -6.874 -0.107 979 2HD ARG 89 2HD ARG 89 6.430 -5.917 0.549 980 HE ARG 89 HE ARG 89 5.151 -8.078 -0.418 981 1HH1 ARG 89 1HH1 ARG 89 7.951 -7.724 1.652 982 2HH1 ARG 89 2HH1 ARG 89 7.646 -9.194 2.527 983 1HH2 ARG 89 1HH2 ARG 89 4.748 -10.016 0.753 984 2HH2 ARG 89 2HH2 ARG 89 5.848 -10.495 2.017 985 H GLY 90 H GLY 90 8.800 -3.514 -4.835 986 1HA GLY 90 1HA GLY 90 8.909 -0.787 -3.720 987 2HA GLY 90 2HA GLY 90 10.373 -1.696 -4.071 988 H GLY 91 H GLY 91 8.660 0.766 -5.164 989 1HA GLY 91 1HA GLY 91 9.881 0.708 -7.738 990 2HA GLY 91 2HA GLY 91 8.154 0.401 -7.853 991 H ARG 92 H ARG 92 10.002 2.573 -5.731 992 HA ARG 92 HA ARG 92 8.108 4.687 -6.356 993 1HB ARG 92 1HB ARG 92 8.711 4.264 -4.005 994 2HB ARG 92 2HB ARG 92 10.390 4.632 -4.370 995 1HG ARG 92 1HG ARG 92 9.853 6.920 -4.835 996 2HG ARG 92 2HG ARG 92 8.126 6.589 -4.690 997 1HD ARG 92 1HD ARG 92 8.916 7.649 -2.673 998 2HD ARG 92 2HD ARG 92 8.470 5.980 -2.326 999 HE ARG 92 HE ARG 92 11.245 6.198 -2.908 1000 1HH1 ARG 92 1HH1 ARG 92 8.866 6.731 -0.398 1001 2HH1 ARG 92 2HH1 ARG 92 10.024 6.652 0.894 1002 1HH2 ARG 92 1HH2 ARG 92 12.773 6.064 -1.205 1003 2HH2 ARG 92 2HH2 ARG 92 12.243 6.265 0.438 1004 H ASN 93 H ASN 93 8.716 5.136 -8.495 1005 HA ASN 93 HA ASN 93 10.831 7.073 -8.695 1006 1HB ASN 93 1HB ASN 93 11.789 5.860 -10.775 1007 2HB ASN 93 2HB ASN 93 12.301 5.340 -9.177 1008 1HD2 ASN 93 1HD2 ASN 93 12.910 3.346 -10.026 1009 2HD2 ASN 93 2HD2 ASN 93 11.744 2.126 -10.417 1010 H LYS 94 H LYS 94 8.648 5.060 -10.668 1011 HA LYS 94 HA LYS 94 8.365 6.788 -12.822 1012 1HB LYS 94 1HB LYS 94 6.411 4.816 -11.641 1013 2HB LYS 94 2HB LYS 94 6.156 5.633 -13.177 1014 1HG LYS 94 1HG LYS 94 8.089 4.587 -14.123 1015 2HG LYS 94 2HG LYS 94 8.536 3.898 -12.562 1016 1HD LYS 94 1HD LYS 94 6.581 2.498 -12.560 1017 2HD LYS 94 2HD LYS 94 5.974 3.276 -14.025 1018 1HE LYS 94 1HE LYS 94 6.995 1.086 -14.476 1019 2HE LYS 94 2HE LYS 94 7.827 2.401 -15.301 1020 1HZ LYS 94 1HZ LYS 94 9.556 2.351 -13.662 1021 2HZ LYS 94 2HZ LYS 94 9.342 0.780 -14.266 1022 3HZ LYS 94 3HZ LYS 94 8.728 1.193 -12.740 1023 H PHE 95 H PHE 95 6.406 6.619 -9.872 1024 HA PHE 95 HA PHE 95 4.890 8.957 -10.712 1025 1HB PHE 95 1HB PHE 95 4.635 7.181 -8.276 1026 2HB PHE 95 2HB PHE 95 3.559 8.522 -8.657 1027 HD1 PHE 95 HD1 PHE 95 4.619 5.141 -9.638 1028 HD2 PHE 95 HD2 PHE 95 1.885 8.326 -10.349 1029 HE1 PHE 95 HE1 PHE 95 3.218 3.635 -10.987 1030 HE2 PHE 95 HE2 PHE 95 0.482 6.824 -11.700 1031 HZ PHE 95 HZ PHE 95 1.148 4.477 -12.019 1032 H GLY 96 H GLY 96 7.816 8.673 -9.582 1033 1HA GLY 96 1HA GLY 96 8.061 9.992 -7.158 1034 2HA GLY 96 2HA GLY 96 9.263 10.026 -8.437 1035 HA PRO 97 HA PRO 97 8.543 14.230 -9.657 1036 1HB PRO 97 1HB PRO 97 6.809 14.168 -11.860 1037 2HB PRO 97 2HB PRO 97 8.571 14.123 -11.915 1038 1HG PRO 97 1HG PRO 97 6.609 11.884 -12.071 1039 2HG PRO 97 2HG PRO 97 8.162 12.082 -12.905 1040 1HD PRO 97 1HD PRO 97 7.916 10.420 -10.828 1041 2HD PRO 97 2HD PRO 97 9.385 11.397 -11.049 1042 H MET 98 H MET 98 5.434 12.486 -10.026 1043 HA MET 98 HA MET 98 3.909 14.826 -9.450 1044 1HB MET 98 1HB MET 98 1.954 13.423 -9.508 1045 2HB MET 98 2HB MET 98 3.018 12.961 -10.825 1046 1HG MET 98 1HG MET 98 3.771 11.032 -9.571 1047 2HG MET 98 2HG MET 98 2.764 11.507 -8.205 1048 1HE MET 98 1HE MET 98 -0.843 11.084 -9.690 1049 2HE MET 98 2HE MET 98 0.139 12.549 -9.678 1050 3HE MET 98 3HE MET 98 0.099 11.503 -8.260 1051 H TYR 99 H TYR 99 5.080 12.103 -7.552 1052 HA TYR 99 HA TYR 99 3.660 12.649 -5.182 1053 1HB TYR 99 1HB TYR 99 6.213 11.204 -5.799 1054 2HB TYR 99 2HB TYR 99 5.780 11.521 -4.126 1055 HD1 TYR 99 HD1 TYR 99 2.893 11.093 -4.115 1056 HD2 TYR 99 HD2 TYR 99 5.932 8.923 -6.143 1057 HE1 TYR 99 HE1 TYR 99 1.462 9.096 -4.098 1058 HE2 TYR 99 HE2 TYR 99 4.508 6.916 -6.135 1059 HH TYR 99 HH TYR 99 2.643 5.978 -4.975 1060 H LYS 100 H LYS 100 6.950 13.554 -6.164 1061 HA LYS 100 HA LYS 100 7.598 15.000 -3.866 1062 1HB LYS 100 1HB LYS 100 8.605 15.079 -6.685 1063 2HB LYS 100 2HB LYS 100 9.234 16.185 -5.472 1064 1HG LYS 100 1HG LYS 100 9.887 14.245 -4.094 1065 2HG LYS 100 2HG LYS 100 9.327 13.180 -5.387 1066 1HD LYS 100 1HD LYS 100 10.957 14.012 -6.892 1067 2HD LYS 100 2HD LYS 100 11.414 15.305 -5.783 1068 1HE LYS 100 1HE LYS 100 12.231 13.624 -4.189 1069 2HE LYS 100 2HE LYS 100 11.801 12.349 -5.329 1070 1HZ LYS 100 1HZ LYS 100 13.382 13.216 -6.897 1071 2HZ LYS 100 2HZ LYS 100 14.166 12.949 -5.414 1072 3HZ LYS 100 3HZ LYS 100 13.747 14.525 -5.882 1073 H ARG 101 H ARG 101 6.365 16.203 -6.986 1074 HA ARG 101 HA ARG 101 6.398 18.915 -6.264 1075 1HB ARG 101 1HB ARG 101 6.269 18.198 -8.589 1076 2HB ARG 101 2HB ARG 101 4.680 17.500 -8.307 1077 1HG ARG 101 1HG ARG 101 3.782 19.717 -7.830 1078 2HG ARG 101 2HG ARG 101 5.377 20.422 -8.095 1079 1HD ARG 101 1HD ARG 101 3.819 18.875 -10.159 1080 2HD ARG 101 2HD ARG 101 3.848 20.633 -10.039 1081 HE ARG 101 HE ARG 101 6.469 19.483 -10.238 1082 1HH1 ARG 101 1HH1 ARG 101 3.670 20.516 -12.066 1083 2HH1 ARG 101 2HH1 ARG 101 4.575 20.841 -13.512 1084 1HH2 ARG 101 1HH2 ARG 101 7.665 19.873 -12.146 1085 2HH2 ARG 101 2HH2 ARG 101 6.840 20.467 -13.566 1086 H ASP 102 H ASP 102 3.704 16.567 -6.222 1087 HA ASP 102 HA ASP 102 1.725 18.411 -5.478 1088 1HB ASP 102 1HB ASP 102 1.265 16.143 -6.379 1089 2HB ASP 102 2HB ASP 102 1.784 15.456 -4.843 1090 H ARG 103 H ARG 103 3.723 16.254 -3.473 1091 HA ARG 103 HA ARG 103 2.583 16.986 -1.006 1092 1HB ARG 103 1HB ARG 103 5.396 16.049 -1.575 1093 2HB ARG 103 2HB ARG 103 4.663 16.137 0.019 1094 1HG ARG 103 1HG ARG 103 2.973 14.496 -0.698 1095 2HG ARG 103 2HG ARG 103 3.795 14.370 -2.257 1096 1HD ARG 103 1HD ARG 103 4.812 13.584 0.461 1097 2HD ARG 103 2HD ARG 103 4.590 12.564 -0.960 1098 HE ARG 103 HE ARG 103 6.412 14.475 -1.718 1099 1HH1 ARG 103 1HH1 ARG 103 6.234 12.055 0.796 1100 2HH1 ARG 103 2HH1 ARG 103 7.957 11.840 0.894 1101 1HH2 ARG 103 1HH2 ARG 103 8.669 14.245 -1.572 1102 2HH2 ARG 103 2HH2 ARG 103 9.354 13.091 -0.457 1103 H ALA 104 H ALA 104 5.266 18.369 -2.853 1104 HA ALA 104 HA ALA 104 6.171 20.156 -0.864 1105 1HB ALA 104 1HB ALA 104 7.315 21.318 -2.673 1106 2HB ALA 104 2HB ALA 104 6.361 20.428 -3.860 1107 3HB ALA 104 3HB ALA 104 7.505 19.572 -2.825 1108 H LEU 105 H LEU 105 3.691 20.394 -3.323 1109 HA LEU 105 HA LEU 105 3.092 23.149 -2.918 1110 1HB LEU 105 1HB LEU 105 1.359 20.933 -4.004 1111 2HB LEU 105 2HB LEU 105 1.045 22.651 -4.171 1112 HG LEU 105 HG LEU 105 3.446 21.245 -5.336 1113 1HD1 LEU 105 1HD1 LEU 105 2.304 21.470 -7.480 1114 2HD1 LEU 105 2HD1 LEU 105 0.884 22.118 -6.659 1115 3HD1 LEU 105 3HD1 LEU 105 1.388 20.453 -6.367 1116 1HD2 LEU 105 1HD2 LEU 105 3.711 23.311 -6.613 1117 2HD2 LEU 105 2HD2 LEU 105 3.803 23.615 -4.879 1118 3HD2 LEU 105 3HD2 LEU 105 2.333 24.015 -5.768 1119 H LYS 106 H LYS 106 1.915 20.125 -1.596 1120 HA LYS 106 HA LYS 106 -0.282 21.273 -0.192 1121 1HB LYS 106 1HB LYS 106 -0.250 18.927 -0.887 1122 2HB LYS 106 2HB LYS 106 1.108 18.620 0.186 1123 1HG LYS 106 1HG LYS 106 -0.227 19.000 2.113 1124 2HG LYS 106 2HG LYS 106 -1.571 19.595 1.133 1125 1HD LYS 106 1HD LYS 106 -1.750 17.372 0.088 1126 2HD LYS 106 2HD LYS 106 -0.461 16.793 1.146 1127 1HE LYS 106 1HE LYS 106 -1.796 17.139 3.084 1128 2HE LYS 106 2HE LYS 106 -3.025 17.998 2.155 1129 1HZ LYS 106 1HZ LYS 106 -3.670 15.718 2.662 1130 2HZ LYS 106 2HZ LYS 106 -2.321 15.141 1.817 1131 3HZ LYS 106 3HZ LYS 106 -3.541 15.977 0.991 1132 H GLN 107 H GLN 107 3.025 20.376 0.695 1133 HA GLN 107 HA GLN 107 2.635 20.923 3.482 1134 1HB GLN 107 1HB GLN 107 5.038 20.642 3.719 1135 2HB GLN 107 2HB GLN 107 4.361 19.352 2.736 1136 1HG GLN 107 1HG GLN 107 5.173 20.406 0.726 1137 2HG GLN 107 2HG GLN 107 5.766 21.781 1.656 1138 1HE2 GLN 107 1HE2 GLN 107 6.689 20.126 3.851 1139 2HE2 GLN 107 2HE2 GLN 107 8.133 19.348 3.304 1140 H GLN 108 H GLN 108 2.679 22.960 0.939 1141 HA GLN 108 HA GLN 108 4.103 25.198 1.859 1142 1HB GLN 108 1HB GLN 108 3.115 25.082 -0.378 1143 2HB GLN 108 2HB GLN 108 1.503 25.033 0.317 1144 1HG GLN 108 1HG GLN 108 2.064 27.308 1.328 1145 2HG GLN 108 2HG GLN 108 3.425 27.326 0.204 1146 1HE2 GLN 108 1HE2 GLN 108 3.022 27.440 -2.015 1147 2HE2 GLN 108 2HE2 GLN 108 1.476 27.921 -2.641 1148 H LYS 109 H LYS 109 1.023 23.804 2.701 1149 HA LYS 109 HA LYS 109 0.745 25.768 4.875 1150 1HB LYS 109 1HB LYS 109 -1.454 24.500 3.227 1151 2HB LYS 109 2HB LYS 109 -1.722 25.485 4.657 1152 1HG LYS 109 1HG LYS 109 -0.797 27.415 3.568 1153 2HG LYS 109 2HG LYS 109 -0.332 26.450 2.169 1154 1HD LYS 109 1HD LYS 109 -2.316 27.618 1.583 1155 2HD LYS 109 2HD LYS 109 -2.765 25.934 1.834 1156 1HE LYS 109 1HE LYS 109 -3.047 28.029 3.976 1157 2HE LYS 109 2HE LYS 109 -4.317 27.694 2.804 1158 1HZ LYS 109 1HZ LYS 109 -4.828 26.430 4.694 1159 2HZ LYS 109 2HZ LYS 109 -3.236 25.889 4.890 1160 3HZ LYS 109 3HZ LYS 109 -4.173 25.316 3.599 1161 H LYS 110 H LYS 110 -1.022 22.813 4.029 1162 HA LYS 110 HA LYS 110 0.161 21.149 5.984 1163 1HB LYS 110 1HB LYS 110 -1.096 22.764 7.465 1164 2HB LYS 110 2HB LYS 110 -2.584 22.191 6.726 1165 1HG LYS 110 1HG LYS 110 -2.053 19.910 7.530 1166 2HG LYS 110 2HG LYS 110 -0.644 20.571 8.362 1167 1HD LYS 110 1HD LYS 110 -2.188 22.100 9.598 1168 2HD LYS 110 2HD LYS 110 -3.543 21.237 8.867 1169 1HE LYS 110 1HE LYS 110 -3.205 20.311 11.032 1170 2HE LYS 110 2HE LYS 110 -2.614 19.130 9.864 1171 1HZ LYS 110 1HZ LYS 110 -0.346 20.053 10.268 1172 2HZ LYS 110 2HZ LYS 110 -1.031 19.276 11.609 1173 3HZ LYS 110 3HZ LYS 110 -0.996 20.970 11.542 1174 H ALA 111 H ALA 111 -2.944 21.915 4.449 1175 HA ALA 111 HA ALA 111 -2.959 19.288 3.175 1176 1HB ALA 111 1HB ALA 111 -5.272 18.859 3.829 1177 2HB ALA 111 2HB ALA 111 -5.282 20.334 4.796 1178 3HB ALA 111 3HB ALA 111 -4.232 18.990 5.248
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