NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
20743 | 2gdt | 7014 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 H GLY 1 -1.550 -22.619 1.776 2 1HA GLY 1 1HA GLY 1 0.895 -22.908 2.033 3 2HA GLY 1 2HA GLY 1 1.003 -22.766 0.266 4 H HIS 2 H HIS 2 2.375 -20.905 0.654 5 HA HIS 2 HA HIS 2 2.868 -18.671 0.653 6 1HB HIS 2 1HB HIS 2 -0.132 -18.237 0.692 7 2HB HIS 2 2HB HIS 2 1.041 -16.977 0.608 8 HD1 HIS 2 1HD HIS 2 2.387 -19.697 -1.539 9 HD2 HIS 2 2HD HIS 2 -0.563 -16.700 -1.726 10 HE1 HIS 2 1HE HIS 2 1.694 -19.518 -3.987 11 H VAL 3 H VAL 3 2.881 -16.788 2.219 12 HA VAL 3 HA VAL 3 2.842 -17.779 5.008 13 HB VAL 3 HB VAL 3 3.665 -15.153 3.679 14 1HG1 VAL 3 1HG1 VAL 3 3.044 -14.745 6.020 15 2HG1 VAL 3 2HG1 VAL 3 4.250 -15.942 6.547 16 3HG1 VAL 3 3HG1 VAL 3 4.746 -14.457 5.698 17 1HG2 VAL 3 1HG2 VAL 3 5.257 -17.537 4.748 18 2HG2 VAL 3 2HG2 VAL 3 5.203 -16.944 3.075 19 3HG2 VAL 3 3HG2 VAL 3 5.979 -15.977 4.348 20 H GLN 4 H GLN 4 1.386 -16.749 6.590 21 HA GLN 4 HA GLN 4 -0.908 -15.312 5.442 22 1HB GLN 4 1HB GLN 4 -0.935 -17.478 7.097 23 2HB GLN 4 2HB GLN 4 -0.840 -16.179 8.312 24 1HG GLN 4 1HG GLN 4 -2.694 -15.044 6.984 25 2HG GLN 4 2HG GLN 4 -2.807 -16.530 6.030 26 1HE2 GLN 4 1HE2 GLN 4 -5.080 -15.758 7.203 27 2HE2 GLN 4 2HE2 GLN 4 -5.454 -16.487 8.752 28 H LEU 5 H LEU 5 -1.254 -13.165 6.047 29 HA LEU 5 HA LEU 5 0.364 -12.100 8.217 30 1HB LEU 5 1HB LEU 5 0.605 -11.187 5.325 31 2HB LEU 5 2HB LEU 5 0.945 -10.099 6.664 32 HG LEU 5 HG LEU 5 2.393 -12.731 6.316 33 1HD1 LEU 5 1HD1 LEU 5 4.322 -11.231 5.589 34 2HD1 LEU 5 2HD1 LEU 5 3.050 -11.601 4.434 35 3HD1 LEU 5 3HD1 LEU 5 3.066 -10.019 5.238 36 1HD2 LEU 5 1HD2 LEU 5 2.477 -11.861 8.609 37 2HD2 LEU 5 2HD2 LEU 5 4.054 -11.700 7.845 38 3HD2 LEU 5 3HD2 LEU 5 3.011 -10.273 8.004 39 H SER 6 H SER 6 -0.409 -10.197 9.092 40 HA SER 6 HA SER 6 -3.132 -9.368 8.230 41 1HB SER 6 1HB SER 6 -2.507 -8.679 10.957 42 2HB SER 6 2HB SER 6 -3.857 -9.627 10.325 43 HG SER 6 HG SER 6 -2.514 -11.477 10.429 44 H LEU 7 H LEU 7 -3.681 -7.104 8.558 45 HA LEU 7 HA LEU 7 -1.490 -5.238 9.179 46 1HB LEU 7 1HB LEU 7 -3.259 -5.144 6.683 47 2HB LEU 7 2HB LEU 7 -2.398 -3.737 7.279 48 HG LEU 7 HG LEU 7 -1.066 -6.306 6.388 49 1HD1 LEU 7 1HD1 LEU 7 -0.399 -5.021 4.390 50 2HD1 LEU 7 2HD1 LEU 7 -2.161 -5.138 4.520 51 3HD1 LEU 7 3HD1 LEU 7 -1.339 -3.631 4.976 52 1HD2 LEU 7 1HD2 LEU 7 0.340 -5.019 8.013 53 2HD2 LEU 7 2HD2 LEU 7 1.027 -4.971 6.390 54 3HD2 LEU 7 3HD2 LEU 7 0.138 -3.569 7.011 55 HA PRO 8 HA PRO 8 -5.144 -3.216 11.030 56 1HB PRO 8 1HB PRO 8 -4.284 -0.647 11.229 57 2HB PRO 8 2HB PRO 8 -3.606 -1.933 12.267 58 1HG PRO 8 1HG PRO 8 -2.519 -0.767 9.689 59 2HG PRO 8 2HG PRO 8 -1.627 -1.035 11.211 60 1HD PRO 8 1HD PRO 8 -1.544 -2.821 9.133 61 2HD PRO 8 2HD PRO 8 -1.477 -3.341 10.826 62 H VAL 9 H VAL 9 -6.716 -1.524 10.351 63 HA VAL 9 HA VAL 9 -6.566 -0.697 7.508 64 HB VAL 9 HB VAL 9 -9.042 -1.464 9.092 65 1HG1 VAL 9 1HG1 VAL 9 -10.210 -1.245 6.946 66 2HG1 VAL 9 2HG1 VAL 9 -9.411 0.264 7.345 67 3HG1 VAL 9 3HG1 VAL 9 -8.690 -0.808 6.132 68 1HG2 VAL 9 1HG2 VAL 9 -9.210 -3.452 7.736 69 2HG2 VAL 9 2HG2 VAL 9 -7.731 -3.026 6.834 70 3HG2 VAL 9 3HG2 VAL 9 -7.655 -3.481 8.543 71 H LEU 10 H LEU 10 -6.687 1.437 7.326 72 HA LEU 10 HA LEU 10 -7.205 3.101 9.750 73 1HB LEU 10 1HB LEU 10 -5.256 3.558 7.473 74 2HB LEU 10 2HB LEU 10 -5.367 4.483 8.975 75 HG LEU 10 HG LEU 10 -4.473 1.558 8.812 76 1HD1 LEU 10 1HD1 LEU 10 -2.774 4.055 8.960 77 2HD1 LEU 10 2HD1 LEU 10 -2.189 2.389 9.100 78 3HD1 LEU 10 3HD1 LEU 10 -2.915 2.955 7.580 79 1HD2 LEU 10 1HD2 LEU 10 -3.590 1.918 11.061 80 2HD2 LEU 10 2HD2 LEU 10 -4.205 3.581 11.072 81 3HD2 LEU 10 3HD2 LEU 10 -5.332 2.215 11.023 82 H GLN 11 H GLN 11 -8.029 5.329 9.117 83 HA GLN 11 HA GLN 11 -9.785 5.170 6.736 84 1HB GLN 11 1HB GLN 11 -9.515 7.338 8.863 85 2HB GLN 11 2HB GLN 11 -10.676 7.306 7.526 86 1HG GLN 11 1HG GLN 11 -11.565 5.164 8.426 87 2HG GLN 11 2HG GLN 11 -10.503 5.371 9.845 88 1HE2 GLN 11 1HE2 GLN 11 -13.274 6.895 8.049 89 2HE2 GLN 11 2HE2 GLN 11 -13.843 7.707 9.503 90 H VAL 12 H VAL 12 -9.370 6.376 4.830 91 HA VAL 12 HA VAL 12 -6.697 7.252 4.409 92 HB VAL 12 HB VAL 12 -8.156 6.375 2.666 93 1HG1 VAL 12 1HG1 VAL 12 -10.306 7.315 3.137 94 2HG1 VAL 12 2HG1 VAL 12 -9.721 8.964 2.835 95 3HG1 VAL 12 3HG1 VAL 12 -9.818 7.776 1.514 96 1HG2 VAL 12 1HG2 VAL 12 -6.202 7.764 2.063 97 2HG2 VAL 12 2HG2 VAL 12 -7.492 7.797 0.844 98 3HG2 VAL 12 3HG2 VAL 12 -7.275 9.182 1.928 99 H ARG 13 H ARG 13 -9.347 8.788 5.965 100 HA ARG 13 HA ARG 13 -8.369 11.484 5.441 101 1HB ARG 13 1HB ARG 13 -10.281 12.194 6.872 102 2HB ARG 13 2HB ARG 13 -10.725 11.299 5.424 103 1HG ARG 13 1HG ARG 13 -11.750 9.671 6.560 104 2HG ARG 13 2HG ARG 13 -10.410 9.470 7.690 105 1HD ARG 13 1HD ARG 13 -12.153 11.879 8.091 106 2HD ARG 13 2HD ARG 13 -12.833 10.292 8.456 107 HE ARG 13 HE ARG 13 -10.459 10.068 9.692 108 1HH1 ARG 13 2HH2 ARG 13 -12.843 12.722 10.056 109 2HH1 ARG 13 1HH2 ARG 13 -12.427 12.915 11.726 110 1HH2 ARG 13 2HH1 ARG 13 -9.985 10.352 11.703 111 2HH2 ARG 13 1HH1 ARG 13 -10.923 11.389 12.758 112 H ASP 14 H ASP 14 -7.480 9.076 7.585 113 HA ASP 14 HA ASP 14 -6.555 11.026 9.657 114 1HB ASP 14 1HB ASP 14 -6.975 8.022 9.649 115 2HB ASP 14 2HB ASP 14 -5.927 8.829 10.810 116 H VAL 15 H VAL 15 -5.641 8.536 7.394 117 HA VAL 15 HA VAL 15 -2.813 8.583 7.707 118 HB VAL 15 HB VAL 15 -4.393 7.504 5.365 119 1HG1 VAL 15 1HG1 VAL 15 -1.701 6.805 6.625 120 2HG1 VAL 15 2HG1 VAL 15 -2.392 6.108 5.148 121 3HG1 VAL 15 3HG1 VAL 15 -1.879 7.790 5.182 122 1HG2 VAL 15 1HG2 VAL 15 -5.147 6.453 7.578 123 2HG2 VAL 15 2HG2 VAL 15 -4.316 5.344 6.480 124 3HG2 VAL 15 3HG2 VAL 15 -3.472 6.032 7.885 125 H LEU 16 H LEU 16 -2.687 10.943 7.816 126 HA LEU 16 HA LEU 16 -2.808 12.811 5.781 127 1HB LEU 16 1HB LEU 16 -0.627 12.183 7.807 128 2HB LEU 16 2HB LEU 16 -0.556 13.586 6.765 129 HG LEU 16 HG LEU 16 -2.877 13.062 8.665 130 1HD1 LEU 16 1HD1 LEU 16 -1.838 14.787 10.114 131 2HD1 LEU 16 2HD1 LEU 16 -0.854 13.331 9.979 132 3HD1 LEU 16 3HD1 LEU 16 -0.405 14.786 9.066 133 1HD2 LEU 16 1HD2 LEU 16 -1.990 15.546 7.119 134 2HD2 LEU 16 2HD2 LEU 16 -3.456 14.584 6.821 135 3HD2 LEU 16 3HD2 LEU 16 -3.305 15.499 8.321 136 H VAL 17 H VAL 17 -0.327 10.168 6.027 137 HA VAL 17 HA VAL 17 0.552 10.979 3.296 138 HB VAL 17 HB VAL 17 2.216 9.486 5.373 139 1HG1 VAL 17 1HG1 VAL 17 2.920 9.024 3.064 140 2HG1 VAL 17 2HG1 VAL 17 2.969 10.765 2.698 141 3HG1 VAL 17 3HG1 VAL 17 4.111 10.048 3.848 142 1HG2 VAL 17 1HG2 VAL 17 3.541 11.492 5.627 143 2HG2 VAL 17 2HG2 VAL 17 2.403 12.417 4.597 144 3HG2 VAL 17 3HG2 VAL 17 1.884 11.758 6.180 145 H ARG 18 H ARG 18 -0.494 9.749 1.894 146 HA ARG 18 HA ARG 18 -0.691 6.839 2.438 147 1HB ARG 18 1HB ARG 18 -2.052 8.338 0.210 148 2HB ARG 18 2HB ARG 18 -2.431 6.796 0.981 149 1HG ARG 18 1HG ARG 18 -3.977 7.946 2.091 150 2HG ARG 18 2HG ARG 18 -2.702 8.397 3.155 151 1HD ARG 18 1HD ARG 18 -2.509 10.549 2.149 152 2HD ARG 18 2HD ARG 18 -3.366 10.065 0.691 153 HE ARG 18 HE ARG 18 -5.149 9.768 2.828 154 1HH1 ARG 18 2HH2 ARG 18 -3.213 12.451 1.595 155 2HH1 ARG 18 1HH2 ARG 18 -4.370 13.673 1.994 156 1HH2 ARG 18 2HH1 ARG 18 -6.718 11.276 3.249 157 2HH2 ARG 18 1HH1 ARG 18 -6.436 12.962 3.023 158 H GLY 19 H GLY 19 1.588 8.754 1.009 159 1HA GLY 19 1HA GLY 19 1.965 7.055 -1.380 160 2HA GLY 19 2HA GLY 19 2.785 8.593 -1.039 161 H PHE 20 H PHE 20 3.470 5.432 -1.132 162 HA PHE 20 HA PHE 20 5.431 5.530 1.122 163 1HB PHE 20 1HB PHE 20 5.035 3.575 -1.152 164 2HB PHE 20 2HB PHE 20 6.307 3.490 0.050 165 HD1 PHE 20 1HD PHE 20 5.642 3.288 2.555 166 HD2 PHE 20 2HD PHE 20 2.948 2.575 -0.732 167 HE1 PHE 20 1HE PHE 20 4.318 1.734 3.957 168 HE2 PHE 20 2HE PHE 20 1.606 1.104 0.682 169 HZ PHE 20 HZ PHE 20 2.334 0.598 3.059 170 H GLY 21 H GLY 21 5.061 6.739 -2.088 171 1HA GLY 21 1HA GLY 21 7.555 7.963 -2.370 172 2HA GLY 21 2HA GLY 21 7.611 6.397 -3.204 173 H ASP 22 H ASP 22 7.843 8.263 -4.925 174 HA ASP 22 HA ASP 22 5.170 8.738 -6.178 175 1HB ASP 22 1HB ASP 22 5.989 10.791 -5.106 176 2HB ASP 22 2HB ASP 22 7.463 10.698 -6.074 177 H SER 23 H SER 23 6.784 6.507 -6.632 178 HA SER 23 HA SER 23 6.074 6.681 -9.328 179 1HB SER 23 1HB SER 23 8.961 5.958 -8.826 180 2HB SER 23 2HB SER 23 8.062 5.287 -10.206 181 HG SER 23 HG SER 23 8.076 8.043 -9.586 182 H VAL 24 H VAL 24 5.707 4.499 -10.199 183 HA VAL 24 HA VAL 24 4.218 2.926 -8.419 184 HB VAL 24 HB VAL 24 5.388 2.477 -11.167 185 1HG1 VAL 24 1HG1 VAL 24 4.036 0.507 -11.515 186 2HG1 VAL 24 2HG1 VAL 24 5.156 0.177 -10.202 187 3HG1 VAL 24 3HG1 VAL 24 3.453 0.559 -9.851 188 1HG2 VAL 24 1HG2 VAL 24 2.583 2.839 -10.105 189 2HG2 VAL 24 2HG2 VAL 24 3.584 4.112 -10.851 190 3HG2 VAL 24 3HG2 VAL 24 3.057 2.728 -11.823 191 H GLU 25 H GLU 25 7.370 2.015 -9.910 192 HA GLU 25 HA GLU 25 7.506 -0.302 -8.408 193 1HB GLU 25 1HB GLU 25 9.405 1.364 -10.013 194 2HB GLU 25 2HB GLU 25 10.129 0.060 -9.062 195 1HG GLU 25 1HG GLU 25 8.893 -1.626 -10.213 196 2HG GLU 25 2HG GLU 25 7.825 -0.450 -10.963 197 H GLU 26 H GLU 26 8.539 2.943 -7.571 198 HA GLU 26 HA GLU 26 10.262 2.379 -5.344 199 1HB GLU 26 1HB GLU 26 8.465 4.774 -6.004 200 2HB GLU 26 2HB GLU 26 9.481 4.706 -4.585 201 1HG GLU 26 1HG GLU 26 10.422 4.578 -7.464 202 2HG GLU 26 2HG GLU 26 10.567 5.934 -6.360 203 H ALA 27 H ALA 27 6.839 3.391 -5.484 204 HA ALA 27 HA ALA 27 6.401 3.052 -2.724 205 1HB ALA 27 1HB ALA 27 4.037 3.288 -3.298 206 2HB ALA 27 2HB ALA 27 5.012 4.419 -4.245 207 3HB ALA 27 3HB ALA 27 4.380 2.933 -5.007 208 H LEU 28 H LEU 28 5.945 0.755 -5.448 209 HA LEU 28 HA LEU 28 4.718 -1.342 -4.023 210 1HB LEU 28 1HB LEU 28 5.578 -0.941 -6.615 211 2HB LEU 28 2HB LEU 28 6.763 -2.115 -6.074 212 HG LEU 28 HG LEU 28 3.725 -2.378 -6.028 213 1HD1 LEU 28 1HD1 LEU 28 4.743 -2.473 -8.284 214 2HD1 LEU 28 2HD1 LEU 28 5.816 -3.775 -7.752 215 3HD1 LEU 28 3HD1 LEU 28 4.056 -4.030 -7.816 216 1HD2 LEU 28 1HD2 LEU 28 4.582 -3.707 -4.199 217 2HD2 LEU 28 2HD2 LEU 28 4.108 -4.776 -5.517 218 3HD2 LEU 28 3HD2 LEU 28 5.838 -4.422 -5.236 219 H SER 29 H SER 29 8.166 -0.460 -4.280 220 HA SER 29 HA SER 29 9.190 -2.887 -3.071 221 1HB SER 29 1HB SER 29 10.428 -0.126 -3.485 222 2HB SER 29 2HB SER 29 11.303 -1.609 -3.095 223 HG SER 29 HG SER 29 10.013 -0.839 -5.465 224 H GLU 30 H GLU 30 8.753 0.495 -2.034 225 HA GLU 30 HA GLU 30 9.686 0.272 0.651 226 1HB GLU 30 1HB GLU 30 7.598 1.949 -0.836 227 2HB GLU 30 2HB GLU 30 8.037 2.270 0.826 228 1HG GLU 30 1HG GLU 30 10.078 2.271 -1.425 229 2HG GLU 30 2HG GLU 30 8.993 3.606 -1.019 230 H ALA 31 H ALA 31 6.404 -0.068 -0.796 231 HA ALA 31 HA ALA 31 4.918 -0.594 1.569 232 1HB ALA 31 1HB ALA 31 3.374 -1.708 -0.054 233 2HB ALA 31 2HB ALA 31 4.013 -0.129 -0.645 234 3HB ALA 31 3HB ALA 31 4.659 -1.638 -1.283 235 H ARG 32 H ARG 32 6.411 -2.991 -0.689 236 HA ARG 32 HA ARG 32 6.106 -5.301 0.897 237 1HB ARG 32 1HB ARG 32 7.659 -4.431 -1.405 238 2HB ARG 32 2HB ARG 32 8.740 -5.248 -0.304 239 1HG ARG 32 1HG ARG 32 7.735 -7.289 -0.486 240 2HG ARG 32 2HG ARG 32 6.200 -6.645 -1.066 241 1HD ARG 32 1HD ARG 32 7.111 -6.045 -3.202 242 2HD ARG 32 2HD ARG 32 8.764 -6.349 -2.670 243 HE ARG 32 HE ARG 32 6.797 -8.286 -3.588 244 1HH1 ARG 32 2HH2 ARG 32 9.859 -7.838 -1.823 245 2HH1 ARG 32 1HH2 ARG 32 10.402 -9.436 -2.058 246 1HH2 ARG 32 2HH1 ARG 32 7.318 -10.549 -3.547 247 2HH2 ARG 32 1HH1 ARG 32 8.788 -11.070 -2.813 248 H GLU 33 H GLU 33 8.564 -2.632 1.394 249 HA GLU 33 HA GLU 33 9.885 -4.214 3.354 250 1HB GLU 33 1HB GLU 33 11.295 -2.958 2.041 251 2HB GLU 33 2HB GLU 33 10.175 -1.629 1.869 252 1HG GLU 33 1HG GLU 33 10.712 -0.587 3.658 253 2HG GLU 33 2HG GLU 33 11.220 -1.984 4.596 254 H HIS 34 H HIS 34 7.324 -1.680 3.369 255 HA HIS 34 HA HIS 34 7.616 -1.081 6.219 256 1HB HIS 34 1HB HIS 34 5.496 -0.475 4.122 257 2HB HIS 34 2HB HIS 34 5.252 -0.163 5.839 258 HD1 HIS 34 1HD HIS 34 7.936 0.893 3.230 259 HD2 HIS 34 2HD HIS 34 5.739 2.273 6.563 260 HE1 HIS 34 1HE HIS 34 8.551 3.344 3.574 261 H LEU 35 H LEU 35 5.960 -3.339 4.082 262 HA LEU 35 HA LEU 35 4.386 -4.658 6.133 263 1HB LEU 35 1HB LEU 35 5.382 -5.396 3.348 264 2HB LEU 35 2HB LEU 35 4.673 -6.573 4.427 265 HG LEU 35 HG LEU 35 2.788 -4.682 4.658 266 1HD1 LEU 35 1HD1 LEU 35 2.138 -3.843 2.464 267 2HD1 LEU 35 2HD1 LEU 35 3.534 -3.052 3.210 268 3HD1 LEU 35 3HD1 LEU 35 3.768 -4.226 1.873 269 1HD2 LEU 35 1HD2 LEU 35 3.105 -6.676 2.356 270 2HD2 LEU 35 2HD2 LEU 35 2.495 -7.075 3.974 271 3HD2 LEU 35 3HD2 LEU 35 1.542 -6.018 2.915 272 H LYS 36 H LYS 36 7.667 -5.158 4.796 273 HA LYS 36 HA LYS 36 8.336 -7.511 6.251 274 1HB LYS 36 1HB LYS 36 9.414 -6.437 4.210 275 2HB LYS 36 2HB LYS 36 10.325 -5.444 5.351 276 1HG LYS 36 1HG LYS 36 11.350 -7.434 6.306 277 2HG LYS 36 2HG LYS 36 10.213 -8.485 5.457 278 1HD LYS 36 1HD LYS 36 12.311 -8.536 4.247 279 2HD LYS 36 2HD LYS 36 11.093 -7.692 3.282 280 1HE LYS 36 1HE LYS 36 11.961 -5.529 3.913 281 2HE LYS 36 2HE LYS 36 12.995 -6.243 5.142 282 1HZ LYS 36 1HZ LYS 36 14.255 -5.617 3.247 283 2HZ LYS 36 2HZ LYS 36 14.341 -7.242 3.379 284 3HZ LYS 36 3HZ LYS 36 13.395 -6.525 2.208 285 H ASN 37 H ASN 37 8.667 -4.078 7.000 286 HA ASN 37 HA ASN 37 9.903 -4.374 9.605 287 1HB ASN 37 1HB ASN 37 8.431 -2.083 8.226 288 2HB ASN 37 2HB ASN 37 9.148 -1.968 9.830 289 1HD2 ASN 37 1HD2 ASN 37 9.956 -0.485 7.188 290 2HD2 ASN 37 2HD2 ASN 37 11.614 -0.954 7.024 291 H GLY 38 H GLY 38 6.627 -3.770 8.369 292 1HA GLY 38 1HA GLY 38 4.656 -4.723 9.219 293 2HA GLY 38 2HA GLY 38 5.330 -4.690 10.865 294 H THR 39 H THR 39 6.032 -1.859 8.982 295 HA THR 39 HA THR 39 4.145 -0.177 10.549 296 HB THR 39 HB THR 39 5.788 1.596 9.787 297 HG1 THR 39 1HG THR 39 7.660 0.966 8.860 298 1HG2 THR 39 1HG2 THR 39 7.563 1.045 11.326 299 2HG2 THR 39 2HG2 THR 39 6.039 0.481 12.020 300 3HG2 THR 39 3HG2 THR 39 7.169 -0.685 11.267 301 H CYS 40 H CYS 40 3.100 -1.750 8.441 302 HA CYS 40 HA CYS 40 2.312 0.376 6.503 303 1HB CYS 40 1HB CYS 40 3.463 -1.329 5.283 304 2HB CYS 40 2HB CYS 40 2.622 -2.619 6.140 305 HG CYS 40 HG CYS 40 1.832 -2.573 3.689 306 H GLY 41 H GLY 41 0.042 0.392 6.024 307 1HA GLY 41 1HA GLY 41 -1.711 -1.310 7.605 308 2HA GLY 41 2HA GLY 41 -1.978 0.419 7.750 309 H LEU 42 H LEU 42 -4.079 -0.845 6.710 310 HA LEU 42 HA LEU 42 -3.903 -0.757 3.736 311 1HB LEU 42 1HB LEU 42 -4.476 -2.954 4.877 312 2HB LEU 42 2HB LEU 42 -5.879 -2.157 5.577 313 HG LEU 42 HG LEU 42 -6.689 -1.695 3.179 314 1HD1 LEU 42 1HD1 LEU 42 -4.492 -3.709 2.517 315 2HD1 LEU 42 2HD1 LEU 42 -5.759 -3.147 1.405 316 3HD1 LEU 42 3HD1 LEU 42 -4.553 -2.014 1.990 317 1HD2 LEU 42 1HD2 LEU 42 -7.702 -3.385 4.514 318 2HD2 LEU 42 2HD2 LEU 42 -7.522 -3.993 2.870 319 3HD2 LEU 42 3HD2 LEU 42 -6.421 -4.555 4.162 320 H VAL 43 H VAL 43 -5.454 0.392 2.607 321 HA VAL 43 HA VAL 43 -7.563 1.871 4.049 322 HB VAL 43 HB VAL 43 -5.613 2.732 1.865 323 1HG1 VAL 43 1HG1 VAL 43 -6.934 4.773 1.526 324 2HG1 VAL 43 2HG1 VAL 43 -7.830 3.342 1.016 325 3HG1 VAL 43 3HG1 VAL 43 -8.214 4.106 2.575 326 1HG2 VAL 43 1HG2 VAL 43 -4.975 3.195 4.221 327 2HG2 VAL 43 2HG2 VAL 43 -5.288 4.693 3.333 328 3HG2 VAL 43 3HG2 VAL 43 -6.500 4.060 4.471 329 H GLU 44 H GLU 44 -9.562 1.359 3.314 330 HA GLU 44 HA GLU 44 -9.831 -0.697 1.278 331 1HB GLU 44 1HB GLU 44 -11.888 1.001 2.767 332 2HB GLU 44 2HB GLU 44 -12.268 -0.316 1.645 333 1HG GLU 44 1HG GLU 44 -10.873 -1.861 3.093 334 2HG GLU 44 2HG GLU 44 -10.709 -0.543 4.264 335 H LEU 45 H LEU 45 -10.638 -0.497 -0.808 336 HA LEU 45 HA LEU 45 -10.296 2.123 -2.111 337 1HB LEU 45 1HB LEU 45 -10.592 -0.731 -3.029 338 2HB LEU 45 2HB LEU 45 -11.052 0.562 -4.132 339 HG LEU 45 HG LEU 45 -8.333 0.510 -2.784 340 1HD1 LEU 45 1HD1 LEU 45 -9.162 -0.570 -5.502 341 2HD1 LEU 45 2HD1 LEU 45 -7.493 -0.437 -4.897 342 3HD1 LEU 45 3HD1 LEU 45 -8.640 -1.528 -4.096 343 1HD2 LEU 45 1HD2 LEU 45 -8.949 2.725 -3.684 344 2HD2 LEU 45 2HD2 LEU 45 -7.753 1.992 -4.744 345 3HD2 LEU 45 3HD2 LEU 45 -9.457 1.996 -5.220 346 H GLU 46 H GLU 46 -11.982 3.452 -1.860 347 HA GLU 46 HA GLU 46 -14.673 2.434 -2.568 348 1HB GLU 46 1HB GLU 46 -14.122 4.601 -0.510 349 2HB GLU 46 2HB GLU 46 -15.694 3.976 -1.012 350 1HG GLU 46 1HG GLU 46 -15.034 1.716 -0.157 351 2HG GLU 46 2HG GLU 46 -13.520 2.403 0.449 352 H LYS 47 H LYS 47 -16.057 4.546 -3.191 353 HA LYS 47 HA LYS 47 -14.882 4.952 -5.701 354 1HB LYS 47 1HB LYS 47 -17.341 4.854 -5.141 355 2HB LYS 47 2HB LYS 47 -17.237 6.550 -4.634 356 1HG LYS 47 1HG LYS 47 -16.515 7.212 -6.888 357 2HG LYS 47 2HG LYS 47 -16.400 5.513 -7.388 358 1HD LYS 47 1HD LYS 47 -18.837 5.244 -7.022 359 2HD LYS 47 2HD LYS 47 -18.933 6.949 -6.525 360 1HE LYS 47 1HE LYS 47 -17.972 7.565 -8.798 361 2HE LYS 47 2HE LYS 47 -18.133 5.860 -9.267 362 1HZ LYS 47 1HZ LYS 47 -20.278 7.730 -8.518 363 2HZ LYS 47 2HZ LYS 47 -20.018 7.037 -9.998 364 3HZ LYS 47 3HZ LYS 47 -20.550 6.118 -8.736 365 H GLY 48 H GLY 48 -14.926 7.244 -2.916 366 1HA GLY 48 1HA GLY 48 -13.857 9.401 -4.601 367 2HA GLY 48 2HA GLY 48 -14.383 9.459 -2.925 368 H VAL 49 H VAL 49 -12.182 6.839 -3.639 369 HA VAL 49 HA VAL 49 -10.461 8.061 -1.646 370 HB VAL 49 HB VAL 49 -10.649 5.309 -2.877 371 1HG1 VAL 49 1HG1 VAL 49 -8.920 6.184 -0.530 372 2HG1 VAL 49 2HG1 VAL 49 -9.275 4.502 -0.960 373 3HG1 VAL 49 3HG1 VAL 49 -8.379 5.524 -2.091 374 1HG2 VAL 49 1HG2 VAL 49 -11.642 4.777 -0.615 375 2HG2 VAL 49 2HG2 VAL 49 -11.489 6.471 -0.168 376 3HG2 VAL 49 3HG2 VAL 49 -12.588 6.007 -1.461 377 H LEU 50 H LEU 50 -9.889 6.771 -4.926 378 HA LEU 50 HA LEU 50 -7.119 7.098 -5.063 379 1HB LEU 50 1HB LEU 50 -9.362 7.311 -7.067 380 2HB LEU 50 2HB LEU 50 -7.696 7.647 -7.551 381 HG LEU 50 HG LEU 50 -8.992 5.052 -6.866 382 1HD1 LEU 50 1HD1 LEU 50 -7.776 4.266 -8.816 383 2HD1 LEU 50 2HD1 LEU 50 -8.594 5.785 -9.207 384 3HD1 LEU 50 3HD1 LEU 50 -6.843 5.777 -8.895 385 1HD2 LEU 50 1HD2 LEU 50 -6.771 3.913 -6.652 386 2HD2 LEU 50 2HD2 LEU 50 -6.044 5.509 -6.375 387 3HD2 LEU 50 3HD2 LEU 50 -7.258 4.859 -5.250 388 HA PRO 51 HA PRO 51 -7.128 11.581 -6.309 389 1HB PRO 51 1HB PRO 51 -9.269 13.172 -6.581 390 2HB PRO 51 2HB PRO 51 -8.998 11.834 -7.728 391 1HG PRO 51 1HG PRO 51 -10.838 11.871 -5.310 392 2HG PRO 51 2HG PRO 51 -11.203 11.323 -6.983 393 1HD PRO 51 1HD PRO 51 -10.374 9.694 -4.856 394 2HD PRO 51 2HD PRO 51 -10.186 9.233 -6.571 395 H GLN 52 H GLN 52 -7.062 10.517 -3.778 396 HA GLN 52 HA GLN 52 -6.816 12.970 -2.190 397 1HB GLN 52 1HB GLN 52 -7.846 10.445 -0.847 398 2HB GLN 52 2HB GLN 52 -7.684 12.057 -0.173 399 1HG GLN 52 1HG GLN 52 -9.488 12.762 -1.918 400 2HG GLN 52 2HG GLN 52 -9.696 10.994 -2.146 401 1HE2 GLN 52 1HE2 GLN 52 -11.452 10.306 -0.924 402 2HE2 GLN 52 2HE2 GLN 52 -11.745 10.836 0.773 403 H LEU 53 H LEU 53 -5.753 9.890 -3.258 404 HA LEU 53 HA LEU 53 -3.557 9.470 -1.320 405 1HB LEU 53 1HB LEU 53 -4.516 8.064 -3.810 406 2HB LEU 53 2HB LEU 53 -3.202 7.490 -2.772 407 HG LEU 53 HG LEU 53 -6.123 7.832 -1.938 408 1HD1 LEU 53 1HD1 LEU 53 -4.629 5.333 -2.769 409 2HD1 LEU 53 2HD1 LEU 53 -6.224 5.375 -1.977 410 3HD1 LEU 53 3HD1 LEU 53 -6.019 6.104 -3.567 411 1HD2 LEU 53 1HD2 LEU 53 -5.500 6.411 -0.012 412 2HD2 LEU 53 2HD2 LEU 53 -3.808 6.476 -0.564 413 3HD2 LEU 53 3HD2 LEU 53 -4.654 7.962 -0.041 414 H GLU 54 H GLU 54 -1.357 8.875 -2.942 415 HA GLU 54 HA GLU 54 -0.807 11.561 -4.045 416 1HB GLU 54 1HB GLU 54 0.924 9.119 -3.529 417 2HB GLU 54 2HB GLU 54 1.473 10.603 -4.282 418 1HG GLU 54 1HG GLU 54 0.423 10.311 -1.452 419 2HG GLU 54 2HG GLU 54 2.101 10.444 -1.939 420 H GLN 55 H GLN 55 0.231 8.425 -5.292 421 HA GLN 55 HA GLN 55 -1.384 8.627 -7.591 422 1HB GLN 55 1HB GLN 55 0.866 10.248 -7.813 423 2HB GLN 55 2HB GLN 55 1.454 8.655 -8.425 424 1HG GLN 55 1HG GLN 55 0.611 9.620 -10.344 425 2HG GLN 55 2HG GLN 55 -0.572 8.475 -9.751 426 1HE2 GLN 55 1HE2 GLN 55 -2.465 9.140 -9.173 427 2HE2 GLN 55 2HE2 GLN 55 -3.086 10.801 -9.085 428 HA PRO 56 HA PRO 56 1.092 4.785 -8.060 429 1HB PRO 56 1HB PRO 56 3.288 4.058 -6.717 430 2HB PRO 56 2HB PRO 56 3.284 5.170 -8.136 431 1HG PRO 56 1HG PRO 56 3.630 5.881 -5.245 432 2HG PRO 56 2HG PRO 56 4.308 6.660 -6.693 433 1HD PRO 56 1HD PRO 56 1.980 7.455 -5.239 434 2HD PRO 56 2HD PRO 56 2.491 8.117 -6.805 435 H TYR 57 H TYR 57 -0.932 4.470 -7.081 436 HA TYR 57 HA TYR 57 -1.322 3.932 -4.318 437 1HB TYR 57 1HB TYR 57 -3.045 2.913 -6.589 438 2HB TYR 57 2HB TYR 57 -3.575 3.394 -4.996 439 HD1 TYR 57 1HD TYR 57 -3.678 4.196 -8.345 440 HD2 TYR 57 2HD TYR 57 -2.814 6.118 -4.580 441 HE1 TYR 57 1HE TYR 57 -4.264 6.396 -9.318 442 HE2 TYR 57 2HE TYR 57 -3.483 8.332 -5.582 443 HH TYR 57 HH TYR 57 -4.664 8.533 -8.949 444 H VAL 58 H VAL 58 -0.148 2.246 -3.452 445 HA VAL 58 HA VAL 58 0.500 -0.101 -5.003 446 HB VAL 58 HB VAL 58 0.851 0.262 -2.005 447 1HG1 VAL 58 1HG1 VAL 58 2.611 -1.419 -2.358 448 2HG1 VAL 58 2HG1 VAL 58 1.122 -2.045 -3.082 449 3HG1 VAL 58 3HG1 VAL 58 2.382 -1.364 -4.115 450 1HG2 VAL 58 1HG2 VAL 58 1.946 2.156 -3.111 451 2HG2 VAL 58 2HG2 VAL 58 3.145 1.004 -2.555 452 3HG2 VAL 58 3HG2 VAL 58 2.717 1.075 -4.280 453 H PHE 59 H PHE 59 -1.255 -1.209 -5.600 454 HA PHE 59 HA PHE 59 -3.539 -1.723 -3.817 455 1HB PHE 59 1HB PHE 59 -2.854 -2.699 -6.631 456 2HB PHE 59 2HB PHE 59 -4.406 -2.894 -5.840 457 HD1 PHE 59 1HD PHE 59 -3.362 -1.394 -8.498 458 HD2 PHE 59 2HD PHE 59 -4.791 -0.183 -4.639 459 HE1 PHE 59 1HE PHE 59 -4.298 0.717 -9.483 460 HE2 PHE 59 2HE PHE 59 -5.600 1.963 -5.580 461 HZ PHE 59 HZ PHE 59 -5.369 2.402 -8.023 462 H ILE 60 H ILE 60 -4.462 -3.696 -3.605 463 HA ILE 60 HA ILE 60 -2.650 -6.017 -3.697 464 HB ILE 60 HB ILE 60 -3.729 -6.905 -1.736 465 1HG1 ILE 60 1HG1 ILE 60 -5.023 -4.213 -1.241 466 2HG1 ILE 60 2HG1 ILE 60 -5.880 -5.669 -1.743 467 1HG2 ILE 60 1HG2 ILE 60 -2.735 -4.172 -1.142 468 2HG2 ILE 60 2HG2 ILE 60 -2.435 -5.644 -0.168 469 3HG2 ILE 60 3HG2 ILE 60 -1.643 -5.465 -1.738 470 1HD1 ILE 60 1HD1 ILE 60 -5.269 -6.806 0.334 471 2HD1 ILE 60 2HD1 ILE 60 -4.371 -5.376 0.875 472 3HD1 ILE 60 3HD1 ILE 60 -6.121 -5.284 0.647 473 H LYS 61 H LYS 61 -3.474 -7.564 -5.030 474 HA LYS 61 HA LYS 61 -6.430 -7.640 -5.409 475 1HB LYS 61 1HB LYS 61 -5.946 -8.361 -7.822 476 2HB LYS 61 2HB LYS 61 -5.849 -6.650 -7.450 477 1HG LYS 61 1HG LYS 61 -3.736 -6.595 -8.021 478 2HG LYS 61 2HG LYS 61 -3.318 -8.110 -7.172 479 1HD LYS 61 1HD LYS 61 -4.529 -9.270 -9.240 480 2HD LYS 61 2HD LYS 61 -4.175 -7.693 -10.033 481 1HE LYS 61 1HE LYS 61 -1.865 -7.863 -9.452 482 2HE LYS 61 2HE LYS 61 -2.227 -9.281 -8.433 483 1HZ LYS 61 1HZ LYS 61 -1.324 -9.329 -11.013 484 2HZ LYS 61 2HZ LYS 61 -1.841 -10.589 -10.125 485 3HZ LYS 61 3HZ LYS 61 -2.865 -9.790 -11.182 486 H ARG 62 H ARG 62 -7.306 -9.747 -5.884 487 HA ARG 62 HA ARG 62 -6.009 -11.584 -4.107 488 1HB ARG 62 1HB ARG 62 -8.046 -13.004 -4.436 489 2HB ARG 62 2HB ARG 62 -8.241 -11.451 -3.650 490 1HG ARG 62 1HG ARG 62 -9.138 -10.435 -5.470 491 2HG ARG 62 2HG ARG 62 -8.690 -11.661 -6.645 492 1HD ARG 62 1HD ARG 62 -10.408 -12.867 -4.585 493 2HD ARG 62 2HD ARG 62 -11.190 -11.459 -5.311 494 HE ARG 62 HE ARG 62 -11.505 -12.593 -7.228 495 1HH1 ARG 62 2HH2 ARG 62 -9.343 -14.693 -5.375 496 2HH1 ARG 62 1HH2 ARG 62 -8.691 -15.506 -6.765 497 1HH2 ARG 62 2HH1 ARG 62 -10.808 -13.763 -9.024 498 2HH2 ARG 62 1HH1 ARG 62 -9.633 -15.056 -8.901 499 H SER 63 H SER 63 -4.273 -11.562 -5.751 500 HA SER 63 HA SER 63 -2.882 -12.670 -7.206 501 1HB SER 63 1HB SER 63 -2.631 -15.086 -6.416 502 2HB SER 63 2HB SER 63 -2.293 -13.749 -5.316 503 HG SER 63 HG SER 63 -4.681 -15.282 -5.359 504 H ASP 64 H ASP 64 -3.826 -12.270 -9.141 505 HA ASP 64 HA ASP 64 -5.508 -14.363 -10.403 506 1HB ASP 64 1HB ASP 64 -6.065 -12.012 -10.923 507 2HB ASP 64 2HB ASP 64 -4.448 -11.768 -11.565 508 H ALA 65 H ALA 65 -3.972 -15.968 -10.037 509 HA ALA 65 HA ALA 65 -1.992 -16.320 -12.142 510 1HB ALA 65 1HB ALA 65 -1.034 -16.291 -9.247 511 2HB ALA 65 2HB ALA 65 -0.064 -16.527 -10.723 512 3HB ALA 65 3HB ALA 65 -0.764 -14.943 -10.358 513 H LEU 66 H LEU 66 -4.512 -17.637 -10.937 514 HA LEU 66 HA LEU 66 -3.510 -20.310 -10.204 515 1HB LEU 66 1HB LEU 66 -5.161 -18.455 -8.426 516 2HB LEU 66 2HB LEU 66 -5.030 -20.183 -8.143 517 HG LEU 66 HG LEU 66 -2.600 -18.338 -8.136 518 1HD1 LEU 66 1HD1 LEU 66 -4.153 -17.596 -6.442 519 2HD1 LEU 66 2HD1 LEU 66 -4.361 -19.259 -5.850 520 3HD1 LEU 66 3HD1 LEU 66 -2.798 -18.451 -5.693 521 1HD2 LEU 66 1HD2 LEU 66 -3.063 -21.167 -7.080 522 2HD2 LEU 66 2HD2 LEU 66 -2.059 -20.727 -8.484 523 3HD2 LEU 66 3HD2 LEU 66 -1.588 -20.217 -6.854 524 H SER 67 H SER 67 -5.452 -21.799 -9.984 525 HA SER 67 HA SER 67 -8.028 -20.774 -10.927 526 1HB SER 67 1HB SER 67 -6.529 -21.367 -12.938 527 2HB SER 67 2HB SER 67 -6.707 -23.042 -12.436 528 HG SER 67 HG SER 67 -8.162 -22.211 -14.046 529 H THR 68 H THR 68 -8.495 -21.273 -8.713 530 HA THR 68 HA THR 68 -9.377 -23.911 -8.188 531 HB THR 68 HB THR 68 -6.969 -24.215 -7.726 532 HG1 THR 68 1HG THR 68 -7.746 -24.302 -5.151 533 1HG2 THR 68 1HG2 THR 68 -5.821 -23.141 -5.874 534 2HG2 THR 68 2HG2 THR 68 -6.293 -21.945 -7.090 535 3HG2 THR 68 3HG2 THR 68 -7.222 -22.089 -5.580 536 H ASN 69 H ASN 69 -10.568 -23.773 -5.983 537 HA ASN 69 HA ASN 69 -11.582 -20.963 -5.658 538 1HB ASN 69 1HB ASN 69 -12.893 -23.137 -6.729 539 2HB ASN 69 2HB ASN 69 -13.417 -23.214 -5.059 540 1HD2 ASN 69 1HD2 ASN 69 -14.428 -22.191 -7.912 541 2HD2 ASN 69 2HD2 ASN 69 -15.311 -20.740 -7.492 542 H HIS 70 H HIS 70 -9.905 -23.288 -3.927 543 HA HIS 70 HA HIS 70 -11.648 -23.160 -1.534 544 1HB HIS 70 1HB HIS 70 -11.401 -25.277 -2.776 545 2HB HIS 70 2HB HIS 70 -9.660 -25.224 -2.565 546 HD1 HIS 70 1HD HIS 70 -8.931 -26.828 -0.703 547 HD2 HIS 70 2HD HIS 70 -12.781 -25.161 -0.169 548 HE1 HIS 70 1HE HIS 70 -9.914 -27.911 1.392 549 H GLY 71 H GLY 71 -10.759 -21.262 -0.506 550 1HA GLY 71 1HA GLY 71 -8.431 -21.605 1.033 551 2HA GLY 71 2HA GLY 71 -7.994 -20.669 -0.409 552 H HIS 72 H HIS 72 -7.646 -19.508 1.891 553 HA HIS 72 HA HIS 72 -9.677 -17.618 2.776 554 1HB HIS 72 1HB HIS 72 -6.658 -17.847 2.929 555 2HB HIS 72 2HB HIS 72 -7.501 -16.411 3.472 556 HD1 HIS 72 1HD HIS 72 -8.795 -20.034 4.286 557 HD2 HIS 72 2HD HIS 72 -7.149 -16.534 5.978 558 HE1 HIS 72 1HE HIS 72 -8.828 -20.367 6.761 559 H LYS 73 H LYS 73 -9.246 -15.194 2.344 560 HA LYS 73 HA LYS 73 -8.911 -14.747 -0.522 561 1HB LYS 73 1HB LYS 73 -9.286 -12.733 1.737 562 2HB LYS 73 2HB LYS 73 -9.137 -12.345 0.019 563 1HG LYS 73 1HG LYS 73 -11.131 -13.895 -0.410 564 2HG LYS 73 2HG LYS 73 -11.345 -13.974 1.354 565 1HD LYS 73 1HD LYS 73 -11.576 -11.480 1.391 566 2HD LYS 73 2HD LYS 73 -11.411 -11.462 -0.377 567 1HE LYS 73 1HE LYS 73 -13.413 -12.922 -0.565 568 2HE LYS 73 2HE LYS 73 -13.593 -12.908 1.199 569 1HZ LYS 73 1HZ LYS 73 -14.127 -10.606 1.141 570 2HZ LYS 73 2HZ LYS 73 -13.648 -10.452 -0.422 571 3HZ LYS 73 3HZ LYS 73 -14.993 -11.281 -0.092 572 H VAL 74 H VAL 74 -6.929 -15.447 -1.017 573 HA VAL 74 HA VAL 74 -4.453 -14.445 0.153 574 HB VAL 74 HB VAL 74 -5.059 -15.701 -2.573 575 1HG1 VAL 74 1HG1 VAL 74 -2.431 -15.493 -1.046 576 2HG1 VAL 74 2HG1 VAL 74 -2.697 -16.311 -2.604 577 3HG1 VAL 74 3HG1 VAL 74 -2.885 -14.580 -2.509 578 1HG2 VAL 74 1HG2 VAL 74 -5.775 -17.310 -0.905 579 2HG2 VAL 74 2HG2 VAL 74 -4.248 -17.842 -1.585 580 3HG2 VAL 74 3HG2 VAL 74 -4.275 -17.091 0.024 581 H VAL 75 H VAL 75 -3.157 -12.687 -0.887 582 HA VAL 75 HA VAL 75 -4.281 -11.444 -3.229 583 HB VAL 75 HB VAL 75 -4.497 -9.248 -2.465 584 1HG1 VAL 75 1HG1 VAL 75 -6.026 -9.211 -0.550 585 2HG1 VAL 75 2HG1 VAL 75 -6.423 -10.550 -1.633 586 3HG1 VAL 75 3HG1 VAL 75 -5.573 -10.852 -0.104 587 1HG2 VAL 75 1HG2 VAL 75 -2.498 -8.922 -1.206 588 2HG2 VAL 75 2HG2 VAL 75 -3.859 -8.476 -0.199 589 3HG2 VAL 75 3HG2 VAL 75 -3.042 -10.033 0.072 590 H GLU 76 H GLU 76 -2.592 -9.568 -3.970 591 HA GLU 76 HA GLU 76 0.120 -10.261 -3.125 592 1HB GLU 76 1HB GLU 76 0.923 -10.485 -5.432 593 2HB GLU 76 2HB GLU 76 -0.190 -11.773 -4.993 594 1HG GLU 76 1HG GLU 76 -2.003 -10.694 -6.257 595 2HG GLU 76 2HG GLU 76 -0.962 -9.330 -6.641 596 H LEU 77 H LEU 77 1.556 -8.596 -3.632 597 HA LEU 77 HA LEU 77 0.552 -5.854 -3.464 598 1HB LEU 77 1HB LEU 77 3.106 -7.357 -3.063 599 2HB LEU 77 2HB LEU 77 3.281 -5.698 -3.596 600 HG LEU 77 HG LEU 77 1.487 -6.388 -1.252 601 1HD1 LEU 77 1HD1 LEU 77 3.833 -7.166 -0.795 602 2HD1 LEU 77 2HD1 LEU 77 4.382 -5.487 -1.113 603 3HD1 LEU 77 3HD1 LEU 77 3.297 -5.837 0.248 604 1HD2 LEU 77 1HD2 LEU 77 2.909 -3.840 -2.153 605 2HD2 LEU 77 2HD2 LEU 77 1.169 -4.159 -2.239 606 3HD2 LEU 77 3HD2 LEU 77 1.961 -4.009 -0.666 607 H VAL 78 H VAL 78 0.329 -4.458 -5.109 608 HA VAL 78 HA VAL 78 1.807 -4.695 -7.627 609 HB VAL 78 HB VAL 78 -1.151 -4.295 -7.987 610 1HG1 VAL 78 1HG1 VAL 78 -0.868 -5.759 -9.866 611 2HG1 VAL 78 2HG1 VAL 78 0.435 -4.557 -9.894 612 3HG1 VAL 78 3HG1 VAL 78 0.766 -6.206 -9.345 613 1HG2 VAL 78 1HG2 VAL 78 -1.691 -6.613 -7.974 614 2HG2 VAL 78 2HG2 VAL 78 -0.232 -7.015 -7.093 615 3HG2 VAL 78 3HG2 VAL 78 -1.482 -5.940 -6.363 616 H ALA 79 H ALA 79 1.213 -2.485 -8.939 617 HA ALA 79 HA ALA 79 0.273 -0.284 -7.260 618 1HB ALA 79 1HB ALA 79 2.506 -0.350 -6.385 619 2HB ALA 79 2HB ALA 79 3.214 -0.542 -7.991 620 3HB ALA 79 3HB ALA 79 2.436 0.991 -7.543 621 H GLU 80 H GLU 80 -0.312 1.528 -8.540 622 HA GLU 80 HA GLU 80 0.214 1.544 -11.469 623 1HB GLU 80 1HB GLU 80 -2.444 1.687 -10.041 624 2HB GLU 80 2HB GLU 80 -2.215 2.251 -11.692 625 1HG GLU 80 1HG GLU 80 -1.486 -0.579 -10.985 626 2HG GLU 80 2HG GLU 80 -3.167 -0.136 -11.216 627 H MET 81 H MET 81 0.214 3.701 -12.248 628 HA MET 81 HA MET 81 0.443 5.848 -10.323 629 1HB MET 81 1HB MET 81 1.954 5.945 -12.090 630 2HB MET 81 2HB MET 81 0.767 5.472 -13.306 631 1HG MET 81 1HG MET 81 -0.249 7.522 -13.413 632 2HG MET 81 2HG MET 81 0.402 8.052 -11.858 633 1HE MET 81 1HE MET 81 3.541 7.576 -11.927 634 2HE MET 81 2HE MET 81 4.034 9.157 -12.555 635 3HE MET 81 3HE MET 81 2.708 9.051 -11.384 636 H ASP 82 H ASP 82 -1.666 5.743 -13.345 637 HA ASP 82 HA ASP 82 -3.453 7.612 -11.983 638 1HB ASP 82 1HB ASP 82 -4.026 6.098 -14.529 639 2HB ASP 82 2HB ASP 82 -4.943 7.430 -13.866 640 H GLY 83 H GLY 83 -3.068 4.342 -11.563 641 1HA GLY 83 1HA GLY 83 -4.352 2.567 -10.904 642 2HA GLY 83 2HA GLY 83 -5.656 3.704 -10.459 643 H ILE 84 H ILE 84 -4.226 3.607 -13.675 644 HA ILE 84 HA ILE 84 -6.307 3.369 -15.395 645 HB ILE 84 HB ILE 84 -3.571 2.055 -15.371 646 1HG1 ILE 84 1HG1 ILE 84 -3.753 4.015 -17.398 647 2HG1 ILE 84 2HG1 ILE 84 -4.574 4.699 -16.025 648 1HG2 ILE 84 1HG2 ILE 84 -4.725 0.612 -16.842 649 2HG2 ILE 84 2HG2 ILE 84 -5.421 1.984 -17.736 650 3HG2 ILE 84 3HG2 ILE 84 -3.678 1.674 -17.781 651 1HD1 ILE 84 1HD1 ILE 84 -1.744 3.552 -16.086 652 2HD1 ILE 84 2HD1 ILE 84 -2.183 5.253 -15.927 653 3HD1 ILE 84 3HD1 ILE 84 -2.538 4.126 -14.603 654 H GLN 85 H GLN 85 -4.678 0.553 -13.936 655 HA GLN 85 HA GLN 85 -7.079 -1.147 -14.429 656 1HB GLN 85 1HB GLN 85 -4.073 -1.607 -14.562 657 2HB GLN 85 2HB GLN 85 -5.160 -2.930 -14.238 658 1HG GLN 85 1HG GLN 85 -6.081 -1.374 -16.568 659 2HG GLN 85 2HG GLN 85 -4.419 -1.947 -16.755 660 1HE2 GLN 85 1HE2 GLN 85 -7.695 -2.949 -17.227 661 2HE2 GLN 85 2HE2 GLN 85 -7.319 -4.651 -17.228 662 H TYR 86 H TYR 86 -6.965 -2.981 -12.877 663 HA TYR 86 HA TYR 86 -7.101 -3.915 -10.842 664 1HB TYR 86 1HB TYR 86 -4.765 -2.170 -10.065 665 2HB TYR 86 2HB TYR 86 -5.250 -3.683 -9.333 666 HD1 TYR 86 1HD TYR 86 -4.947 -5.813 -10.616 667 HD2 TYR 86 2HD TYR 86 -3.524 -2.075 -12.141 668 HE1 TYR 86 1HE TYR 86 -3.267 -7.023 -12.057 669 HE2 TYR 86 2HE TYR 86 -1.914 -3.218 -13.591 670 HH TYR 86 HH TYR 86 -0.687 -5.429 -13.645 671 H GLY 87 H GLY 87 -6.247 -0.511 -9.850 672 1HA GLY 87 1HA GLY 87 -7.837 -0.453 -7.500 673 2HA GLY 87 2HA GLY 87 -7.366 0.960 -8.467 674 H ARG 88 H ARG 88 -8.562 0.736 -10.801 675 HA ARG 88 HA ARG 88 -11.488 0.710 -10.373 676 1HB ARG 88 1HB ARG 88 -10.121 2.360 -11.785 677 2HB ARG 88 2HB ARG 88 -10.052 1.070 -12.967 678 1HG ARG 88 1HG ARG 88 -12.794 1.139 -12.182 679 2HG ARG 88 2HG ARG 88 -12.278 2.831 -12.100 680 1HD ARG 88 1HD ARG 88 -11.167 2.198 -14.445 681 2HD ARG 88 2HD ARG 88 -12.412 0.942 -14.396 682 HE ARG 88 HE ARG 88 -13.944 2.598 -15.015 683 1HH1 ARG 88 2HH2 ARG 88 -11.149 4.222 -13.559 684 2HH1 ARG 88 1HH2 ARG 88 -11.654 5.802 -14.021 685 1HH2 ARG 88 2HH1 ARG 88 -14.621 4.593 -15.603 686 2HH2 ARG 88 1HH1 ARG 88 -13.696 6.039 -15.295 687 H SER 89 H SER 89 -11.211 -1.596 -9.536 688 HA SER 89 HA SER 89 -12.444 -3.273 -11.474 689 1HB SER 89 1HB SER 89 -9.875 -4.415 -10.234 690 2HB SER 89 2HB SER 89 -11.044 -5.262 -11.234 691 HG SER 89 HG SER 89 -10.116 -2.986 -12.426 692 H GLY 90 H GLY 90 -13.110 -5.406 -10.330 693 1HA GLY 90 1HA GLY 90 -13.822 -4.853 -7.511 694 2HA GLY 90 2HA GLY 90 -14.563 -6.011 -8.617 695 H ILE 91 H ILE 91 -11.298 -6.412 -9.162 696 HA ILE 91 HA ILE 91 -11.143 -8.768 -7.524 697 HB ILE 91 HB ILE 91 -10.000 -8.831 -9.524 698 1HG1 ILE 91 1HG1 ILE 91 -7.924 -8.845 -7.449 699 2HG1 ILE 91 2HG1 ILE 91 -9.241 -10.036 -7.715 700 1HG2 ILE 91 1HG2 ILE 91 -7.801 -6.860 -8.799 701 2HG2 ILE 91 2HG2 ILE 91 -8.106 -7.597 -10.326 702 3HG2 ILE 91 3HG2 ILE 91 -9.212 -6.356 -9.760 703 1HD1 ILE 91 1HD1 ILE 91 -8.344 -10.576 -9.941 704 2HD1 ILE 91 2HD1 ILE 91 -6.988 -9.459 -9.674 705 3HD1 ILE 91 3HD1 ILE 91 -7.164 -10.903 -8.662 706 H THR 92 H THR 92 -8.659 -6.388 -7.360 707 HA THR 92 HA THR 92 -7.583 -5.835 -5.465 708 HB THR 92 HB THR 92 -9.260 -3.528 -6.327 709 HG1 THR 92 1HG THR 92 -8.387 -3.752 -8.318 710 1HG2 THR 92 1HG2 THR 92 -6.251 -4.065 -6.125 711 2HG2 THR 92 2HG2 THR 92 -7.014 -2.502 -6.454 712 3HG2 THR 92 3HG2 THR 92 -7.170 -3.263 -4.861 713 H LEU 93 H LEU 93 -7.472 -5.553 -3.280 714 HA LEU 93 HA LEU 93 -10.066 -5.601 -1.807 715 1HB LEU 93 1HB LEU 93 -7.492 -6.580 -0.672 716 2HB LEU 93 2HB LEU 93 -9.116 -6.854 -0.149 717 HG LEU 93 HG LEU 93 -8.190 -8.770 -1.030 718 1HD1 LEU 93 1HD1 LEU 93 -10.511 -8.652 -1.347 719 2HD1 LEU 93 2HD1 LEU 93 -10.340 -7.752 -2.868 720 3HD1 LEU 93 3HD1 LEU 93 -9.844 -9.460 -2.777 721 1HD2 LEU 93 1HD2 LEU 93 -6.505 -7.878 -2.573 722 2HD2 LEU 93 2HD2 LEU 93 -7.395 -9.294 -3.146 723 3HD2 LEU 93 3HD2 LEU 93 -7.821 -7.723 -3.797 724 H GLY 94 H GLY 94 -7.129 -3.685 -2.128 725 1HA GLY 94 1HA GLY 94 -8.266 -1.347 -1.122 726 2HA GLY 94 2HA GLY 94 -7.389 -2.056 0.235 727 H VAL 95 H VAL 95 -6.180 -0.004 -0.108 728 HA VAL 95 HA VAL 95 -3.783 -0.498 -1.791 729 HB VAL 95 HB VAL 95 -4.617 2.291 -1.017 730 1HG1 VAL 95 1HG1 VAL 95 -2.333 1.726 -1.938 731 2HG1 VAL 95 2HG1 VAL 95 -3.138 1.301 -3.466 732 3HG1 VAL 95 3HG1 VAL 95 -3.200 2.962 -2.838 733 1HG2 VAL 95 1HG2 VAL 95 -6.549 2.103 -2.159 734 2HG2 VAL 95 2HG2 VAL 95 -5.431 2.694 -3.409 735 3HG2 VAL 95 3HG2 VAL 95 -5.896 0.979 -3.352 736 H LEU 96 H LEU 96 -1.911 -0.253 -0.752 737 HA LEU 96 HA LEU 96 -2.023 -0.343 2.188 738 1HB LEU 96 1HB LEU 96 0.249 -0.453 0.160 739 2HB LEU 96 2HB LEU 96 0.431 -0.532 1.886 740 HG LEU 96 HG LEU 96 0.670 -2.690 1.356 741 1HD1 LEU 96 1HD1 LEU 96 -2.350 -2.682 1.661 742 2HD1 LEU 96 2HD1 LEU 96 -1.223 -3.991 2.071 743 3HD1 LEU 96 3HD1 LEU 96 -1.216 -2.480 3.009 744 1HD2 LEU 96 1HD2 LEU 96 -0.462 -3.890 -0.374 745 2HD2 LEU 96 2HD2 LEU 96 -1.543 -2.493 -0.680 746 3HD2 LEU 96 3HD2 LEU 96 0.178 -2.376 -1.024 747 H VAL 97 H VAL 97 -0.705 1.078 3.512 748 HA VAL 97 HA VAL 97 0.379 3.561 2.377 749 HB VAL 97 HB VAL 97 -0.795 4.852 4.169 750 1HG1 VAL 97 1HG1 VAL 97 -1.528 4.785 1.770 751 2HG1 VAL 97 2HG1 VAL 97 -2.765 3.592 2.227 752 3HG1 VAL 97 3HG1 VAL 97 -2.800 5.224 2.921 753 1HG2 VAL 97 1HG2 VAL 97 -2.864 3.953 5.194 754 2HG2 VAL 97 2HG2 VAL 97 -2.613 2.388 4.413 755 3HG2 VAL 97 3HG2 VAL 97 -1.477 2.965 5.656 756 HA PRO 98 HA PRO 98 3.216 2.634 5.733 757 1HB PRO 98 1HB PRO 98 4.327 5.109 6.242 758 2HB PRO 98 2HB PRO 98 4.757 4.063 4.858 759 1HG PRO 98 1HG PRO 98 3.101 6.521 4.840 760 2HG PRO 98 2HG PRO 98 4.142 5.825 3.561 761 1HD PRO 98 1HD PRO 98 1.337 5.607 3.729 762 2HD PRO 98 2HD PRO 98 2.414 4.629 2.680 763 H HIS 99 H HIS 99 2.507 2.217 7.733 764 HA HIS 99 HA HIS 99 0.283 3.713 8.924 765 1HB HIS 99 1HB HIS 99 0.174 1.358 9.301 766 2HB HIS 99 2HB HIS 99 1.857 1.221 9.688 767 HD1 HIS 99 1HD HIS 99 2.400 1.228 12.268 768 HD2 HIS 99 2HD HIS 99 -1.196 3.176 11.231 769 HE1 HIS 99 1HE HIS 99 1.335 1.977 14.435 770 H VAL 100 H VAL 100 0.653 5.559 9.885 771 HA VAL 100 HA VAL 100 2.868 5.847 11.823 772 HB VAL 100 HB VAL 100 1.865 7.941 9.840 773 1HG1 VAL 100 1HG1 VAL 100 3.846 8.195 12.144 774 2HG1 VAL 100 2HG1 VAL 100 3.683 9.378 10.824 775 3HG1 VAL 100 3HG1 VAL 100 2.328 9.105 11.899 776 1HG2 VAL 100 1HG2 VAL 100 3.442 6.417 8.773 777 2HG2 VAL 100 2HG2 VAL 100 4.273 7.936 9.102 778 3HG2 VAL 100 3HG2 VAL 100 4.560 6.540 10.153 779 H GLY 101 H GLY 101 0.880 4.691 12.866 780 1HA GLY 101 1HA GLY 101 -0.248 4.879 14.816 781 2HA GLY 101 2HA GLY 101 0.304 6.538 14.878 782 H GLU 102 H GLU 102 -1.734 5.743 12.177 783 HA GLU 102 HA GLU 102 -3.347 7.910 12.821 784 1HB GLU 102 1HB GLU 102 -3.673 5.771 10.677 785 2HB GLU 102 2HB GLU 102 -4.463 7.332 10.669 786 1HG GLU 102 1HG GLU 102 -2.699 8.145 9.691 787 2HG GLU 102 2HG GLU 102 -1.869 8.127 11.170 788 H THR 103 H THR 103 -3.693 5.284 14.195 789 HA THR 103 HA THR 103 -5.143 4.085 15.514 790 HB THR 103 HB THR 103 -6.758 6.514 14.991 791 HG1 THR 103 1HG THR 103 -5.175 5.633 17.140 792 1HG2 THR 103 1HG2 THR 103 -8.072 5.795 17.071 793 2HG2 THR 103 2HG2 THR 103 -8.424 4.870 15.601 794 3HG2 THR 103 3HG2 THR 103 -7.362 4.183 16.845 795 HA PRO 104 HA PRO 104 -7.225 2.042 12.076 796 1HB PRO 104 1HB PRO 104 -7.193 -0.534 13.204 797 2HB PRO 104 2HB PRO 104 -5.956 0.178 12.147 798 1HG PRO 104 1HG PRO 104 -5.997 0.021 15.161 799 2HG PRO 104 2HG PRO 104 -4.615 -0.263 14.066 800 1HD PRO 104 1HD PRO 104 -4.956 2.065 15.406 801 2HD PRO 104 2HD PRO 104 -4.327 2.076 13.739 802 H ILE 105 H ILE 105 -9.127 1.053 11.788 803 HA ILE 105 HA ILE 105 -11.125 1.113 14.016 804 HB ILE 105 HB ILE 105 -12.768 1.206 12.129 805 1HG1 ILE 105 1HG1 ILE 105 -10.831 0.371 10.435 806 2HG1 ILE 105 2HG1 ILE 105 -12.265 1.205 9.940 807 1HG2 ILE 105 1HG2 ILE 105 -12.216 3.204 13.381 808 2HG2 ILE 105 2HG2 ILE 105 -10.815 3.535 12.361 809 3HG2 ILE 105 3HG2 ILE 105 -12.450 3.627 11.681 810 1HD1 ILE 105 1HD1 ILE 105 -11.113 3.275 9.696 811 2HD1 ILE 105 2HD1 ILE 105 -9.646 2.666 10.495 812 3HD1 ILE 105 3HD1 ILE 105 -10.135 2.041 8.902 813 H ALA 106 H ALA 106 -9.263 -0.971 11.979 814 HA ALA 106 HA ALA 106 -10.590 -3.405 12.721 815 1HB ALA 106 1HB ALA 106 -12.226 -2.810 11.017 816 2HB ALA 106 2HB ALA 106 -10.980 -2.164 9.937 817 3HB ALA 106 3HB ALA 106 -11.092 -3.897 10.201 818 H TYR 107 H TYR 107 -9.558 -5.188 11.334 819 HA TYR 107 HA TYR 107 -6.835 -4.572 10.355 820 1HB TYR 107 1HB TYR 107 -7.640 -6.527 12.510 821 2HB TYR 107 2HB TYR 107 -6.379 -6.986 11.381 822 HD1 TYR 107 1HD TYR 107 -7.240 -3.913 13.456 823 HD2 TYR 107 2HD TYR 107 -4.193 -6.672 12.122 824 HE1 TYR 107 1HE TYR 107 -5.541 -2.625 14.647 825 HE2 TYR 107 2HE TYR 107 -2.508 -5.454 13.450 826 HH TYR 107 HH TYR 107 -2.193 -3.715 15.134 827 H ARG 108 H ARG 108 -6.173 -6.036 8.718 828 HA ARG 108 HA ARG 108 -8.299 -7.734 7.459 829 1HB ARG 108 1HB ARG 108 -6.857 -5.400 6.329 830 2HB ARG 108 2HB ARG 108 -7.228 -6.765 5.278 831 1HG ARG 108 1HG ARG 108 -9.438 -5.635 6.998 832 2HG ARG 108 2HG ARG 108 -8.914 -4.821 5.541 833 1HD ARG 108 1HD ARG 108 -9.235 -7.137 4.367 834 2HD ARG 108 2HD ARG 108 -10.208 -7.508 5.782 835 HE ARG 108 HE ARG 108 -11.702 -5.758 5.239 836 1HH1 ARG 108 2HH2 ARG 108 -9.097 -5.860 2.846 837 2HH1 ARG 108 1HH2 ARG 108 -9.881 -4.767 1.742 838 1HH2 ARG 108 2HH1 ARG 108 -12.783 -4.453 3.798 839 2HH2 ARG 108 1HH1 ARG 108 -12.124 -4.032 2.249 840 H ASN 109 H ASN 109 -7.494 -9.623 7.597 841 HA ASN 109 HA ASN 109 -4.612 -10.205 7.241 842 1HB ASN 109 1HB ASN 109 -4.992 -12.453 7.710 843 2HB ASN 109 2HB ASN 109 -5.902 -11.563 8.898 844 1HD2 ASN 109 1HD2 ASN 109 -7.864 -12.520 9.261 845 2HD2 ASN 109 2HD2 ASN 109 -8.913 -13.299 8.087 846 H VAL 110 H VAL 110 -3.763 -11.495 5.650 847 HA VAL 110 HA VAL 110 -5.318 -12.332 3.328 848 HB VAL 110 HB VAL 110 -3.671 -11.288 1.794 849 1HG1 VAL 110 1HG1 VAL 110 -5.136 -9.222 3.470 850 2HG1 VAL 110 2HG1 VAL 110 -4.599 -9.018 1.816 851 3HG1 VAL 110 3HG1 VAL 110 -5.867 -10.204 2.197 852 1HG2 VAL 110 1HG2 VAL 110 -2.236 -9.428 2.510 853 2HG2 VAL 110 2HG2 VAL 110 -2.728 -9.641 4.197 854 3HG2 VAL 110 3HG2 VAL 110 -1.778 -10.893 3.384 855 H LEU 111 H LEU 111 -3.512 -13.574 1.850 856 HA LEU 111 HA LEU 111 -1.324 -14.651 3.543 857 1HB LEU 111 1HB LEU 111 -2.812 -15.649 1.112 858 2HB LEU 111 2HB LEU 111 -1.175 -16.202 1.366 859 HG LEU 111 HG LEU 111 -2.899 -17.779 1.821 860 1HD1 LEU 111 1HD1 LEU 111 -1.414 -17.145 4.371 861 2HD1 LEU 111 2HD1 LEU 111 -2.093 -18.708 3.906 862 3HD1 LEU 111 3HD1 LEU 111 -0.761 -18.021 2.984 863 1HD2 LEU 111 1HD2 LEU 111 -3.760 -16.037 4.126 864 2HD2 LEU 111 2HD2 LEU 111 -4.691 -16.361 2.651 865 3HD2 LEU 111 3HD2 LEU 111 -4.347 -17.673 3.809 866 H LEU 112 H LEU 112 0.684 -14.877 2.156 867 HA LEU 112 HA LEU 112 1.138 -12.726 0.173 868 1HB LEU 112 1HB LEU 112 1.787 -12.357 2.763 869 2HB LEU 112 2HB LEU 112 3.085 -13.424 2.387 870 HG LEU 112 HG LEU 112 4.235 -11.576 1.960 871 1HD1 LEU 112 1HD1 LEU 112 4.159 -12.456 -0.314 872 2HD1 LEU 112 2HD1 LEU 112 2.715 -11.479 -0.690 873 3HD1 LEU 112 3HD1 LEU 112 4.262 -10.705 -0.319 874 1HD2 LEU 112 1HD2 LEU 112 1.663 -10.120 1.317 875 2HD2 LEU 112 2HD2 LEU 112 2.543 -10.117 2.854 876 3HD2 LEU 112 3HD2 LEU 112 3.281 -9.376 1.431 877 H ARG 113 H ARG 113 1.741 -13.855 -1.571 878 HA ARG 113 HA ARG 113 2.785 -16.353 -1.988 879 1HB ARG 113 1HB ARG 113 3.073 -13.694 -3.380 880 2HB ARG 113 2HB ARG 113 4.094 -15.018 -3.933 881 1HG ARG 113 1HG ARG 113 2.275 -16.396 -4.518 882 2HG ARG 113 2HG ARG 113 1.094 -15.386 -3.681 883 1HD ARG 113 1HD ARG 113 0.989 -13.837 -5.306 884 2HD ARG 113 2HD ARG 113 2.721 -13.950 -5.639 885 HE ARG 113 HE ARG 113 0.945 -16.137 -6.548 886 1HH1 ARG 113 2HH2 ARG 113 3.057 -13.395 -7.412 887 2HH1 ARG 113 1HH2 ARG 113 3.289 -13.935 -9.045 888 1HH2 ARG 113 2HH1 ARG 113 1.428 -16.911 -8.761 889 2HH2 ARG 113 1HH1 ARG 113 2.218 -15.804 -9.817 890 H LYS 114 H LYS 114 4.610 -17.394 -1.517 891 HA LYS 114 HA LYS 114 7.161 -15.991 -1.485 892 1HB LYS 114 1HB LYS 114 6.080 -17.444 0.973 893 2HB LYS 114 2HB LYS 114 7.793 -17.351 0.633 894 1HG LYS 114 1HG LYS 114 7.292 -14.735 0.331 895 2HG LYS 114 2HG LYS 114 5.884 -15.131 1.326 896 1HD LYS 114 1HD LYS 114 7.628 -16.193 2.954 897 2HD LYS 114 2HD LYS 114 8.848 -15.361 1.983 898 1HE LYS 114 1HE LYS 114 7.875 -13.197 2.399 899 2HE LYS 114 2HE LYS 114 6.426 -13.898 3.121 900 1HZ LYS 114 1HZ LYS 114 7.715 -14.599 5.007 901 2HZ LYS 114 2HZ LYS 114 9.116 -14.158 4.302 902 3HZ LYS 114 3HZ LYS 114 8.010 -13.011 4.734 903 H ASN 115 H ASN 115 7.898 -17.031 -3.162 904 HA ASN 115 HA ASN 115 7.108 -19.604 -4.001 905 1HB ASN 115 1HB ASN 115 9.681 -18.147 -4.769 906 2HB ASN 115 2HB ASN 115 8.842 -19.389 -5.696 907 1HD2 ASN 115 1HD2 ASN 115 9.478 -16.711 -6.769 908 2HD2 ASN 115 2HD2 ASN 115 7.899 -15.973 -7.007 909 H GLY 116 H GLY 116 10.176 -18.495 -2.426 910 1HA GLY 116 1HA GLY 116 10.333 -20.468 -0.539 911 2HA GLY 116 2HA GLY 116 11.281 -21.050 -1.934 Start of MODEL 2 1 1H GLY 1 H GLY 1 2.319 -23.820 3.237 2 1HA GLY 1 1HA GLY 1 1.947 -22.654 1.111 3 2HA GLY 1 2HA GLY 1 0.417 -23.178 1.836 4 H HIS 2 H HIS 2 2.389 -20.481 0.957 5 HA HIS 2 HA HIS 2 2.247 -18.256 1.051 6 1HB HIS 2 1HB HIS 2 -0.738 -18.647 1.527 7 2HB HIS 2 2HB HIS 2 0.012 -17.131 1.204 8 HD1 HIS 2 1HD HIS 2 -0.005 -20.556 -0.823 9 HD2 HIS 2 2HD HIS 2 -0.517 -16.375 -1.134 10 HE1 HIS 2 1HE HIS 2 -0.533 -20.087 -3.208 11 H VAL 3 H VAL 3 1.886 -16.351 2.558 12 HA VAL 3 HA VAL 3 2.311 -17.141 5.407 13 HB VAL 3 HB VAL 3 3.024 -14.393 4.881 14 1HG1 VAL 3 1HG1 VAL 3 5.204 -15.090 5.755 15 2HG1 VAL 3 2HG1 VAL 3 3.890 -15.823 6.683 16 3HG1 VAL 3 3HG1 VAL 3 4.775 -16.809 5.495 17 1HG2 VAL 3 1HG2 VAL 3 4.988 -14.627 3.416 18 2HG2 VAL 3 2HG2 VAL 3 4.402 -16.232 2.924 19 3HG2 VAL 3 3HG2 VAL 3 3.454 -14.774 2.580 20 H GLN 4 H GLN 4 0.561 -16.538 6.824 21 HA GLN 4 HA GLN 4 -1.524 -14.876 5.768 22 1HB GLN 4 1HB GLN 4 -1.672 -16.829 7.528 23 2HB GLN 4 2HB GLN 4 -1.104 -15.600 8.673 24 1HG GLN 4 1HG GLN 4 -3.095 -14.255 7.262 25 2HG GLN 4 2HG GLN 4 -3.689 -15.903 7.273 26 1HE2 GLN 4 1HE2 GLN 4 -2.386 -13.340 9.469 27 2HE2 GLN 4 2HE2 GLN 4 -3.140 -13.905 10.923 28 H LEU 5 H LEU 5 -1.426 -12.674 5.780 29 HA LEU 5 HA LEU 5 0.398 -11.351 7.693 30 1HB LEU 5 1HB LEU 5 -0.317 -10.384 4.914 31 2HB LEU 5 2HB LEU 5 0.645 -9.510 6.111 32 HG LEU 5 HG LEU 5 1.403 -12.124 4.735 33 1HD1 LEU 5 1HD1 LEU 5 2.606 -9.332 4.589 34 2HD1 LEU 5 2HD1 LEU 5 3.205 -10.774 3.745 35 3HD1 LEU 5 3HD1 LEU 5 1.608 -10.111 3.351 36 1HD2 LEU 5 1HD2 LEU 5 2.332 -12.208 7.007 37 2HD2 LEU 5 2HD2 LEU 5 3.610 -11.887 5.847 38 3HD2 LEU 5 3HD2 LEU 5 2.958 -10.562 6.837 39 H SER 6 H SER 6 -0.481 -9.623 8.855 40 HA SER 6 HA SER 6 -3.407 -9.173 8.535 41 1HB SER 6 1HB SER 6 -2.604 -9.031 11.295 42 2HB SER 6 2HB SER 6 -3.820 -9.950 10.496 43 HG SER 6 HG SER 6 -1.168 -10.905 10.534 44 H LEU 7 H LEU 7 -3.921 -7.001 8.548 45 HA LEU 7 HA LEU 7 -1.734 -5.053 9.134 46 1HB LEU 7 1HB LEU 7 -3.695 -5.217 6.809 47 2HB LEU 7 2HB LEU 7 -2.727 -3.795 7.144 48 HG LEU 7 HG LEU 7 -1.472 -6.526 6.602 49 1HD1 LEU 7 1HD1 LEU 7 -1.081 -5.618 4.295 50 2HD1 LEU 7 2HD1 LEU 7 -2.790 -5.918 4.663 51 3HD1 LEU 7 3HD1 LEU 7 -2.159 -4.259 4.709 52 1HD2 LEU 7 1HD2 LEU 7 0.003 -4.874 7.745 53 2HD2 LEU 7 2HD2 LEU 7 0.535 -5.189 6.097 54 3HD2 LEU 7 3HD2 LEU 7 -0.346 -3.691 6.468 55 HA PRO 8 HA PRO 8 -5.207 -2.849 11.099 56 1HB PRO 8 1HB PRO 8 -4.143 -0.385 11.319 57 2HB PRO 8 2HB PRO 8 -3.506 -1.722 12.284 58 1HG PRO 8 1HG PRO 8 -2.400 -0.585 9.703 59 2HG PRO 8 2HG PRO 8 -1.515 -0.970 11.217 60 1HD PRO 8 1HD PRO 8 -1.694 -2.697 9.050 61 2HD PRO 8 2HD PRO 8 -1.483 -3.238 10.724 62 H VAL 9 H VAL 9 -6.798 -1.235 10.257 63 HA VAL 9 HA VAL 9 -6.488 -0.548 7.374 64 HB VAL 9 HB VAL 9 -9.106 -1.009 8.857 65 1HG1 VAL 9 1HG1 VAL 9 -8.431 -0.919 5.878 66 2HG1 VAL 9 2HG1 VAL 9 -10.042 -1.169 6.599 67 3HG1 VAL 9 3HG1 VAL 9 -9.213 0.376 6.798 68 1HG2 VAL 9 1HG2 VAL 9 -8.010 -3.169 8.876 69 2HG2 VAL 9 2HG2 VAL 9 -9.216 -3.193 7.596 70 3HG2 VAL 9 3HG2 VAL 9 -7.491 -3.000 7.198 71 H LEU 10 H LEU 10 -6.423 1.613 7.024 72 HA LEU 10 HA LEU 10 -6.978 3.456 9.318 73 1HB LEU 10 1HB LEU 10 -4.995 3.623 7.017 74 2HB LEU 10 2HB LEU 10 -5.233 4.883 8.223 75 HG LEU 10 HG LEU 10 -4.322 2.069 8.973 76 1HD1 LEU 10 1HD1 LEU 10 -2.705 3.026 7.374 77 2HD1 LEU 10 2HD1 LEU 10 -2.549 4.472 8.387 78 3HD1 LEU 10 3HD1 LEU 10 -2.030 2.881 8.999 79 1HD2 LEU 10 1HD2 LEU 10 -3.498 3.152 11.011 80 2HD2 LEU 10 2HD2 LEU 10 -4.029 4.745 10.408 81 3HD2 LEU 10 3HD2 LEU 10 -5.219 3.497 10.802 82 H GLN 11 H GLN 11 -8.109 5.439 8.753 83 HA GLN 11 HA GLN 11 -9.777 5.317 6.375 84 1HB GLN 11 1HB GLN 11 -9.225 7.537 8.433 85 2HB GLN 11 2HB GLN 11 -10.301 7.699 7.054 86 1HG GLN 11 1HG GLN 11 -11.325 5.496 7.894 87 2HG GLN 11 2HG GLN 11 -10.646 5.941 9.477 88 1HE2 GLN 11 1HE2 GLN 11 -13.265 6.064 7.506 89 2HE2 GLN 11 2HE2 GLN 11 -14.055 7.571 7.968 90 H VAL 12 H VAL 12 -9.608 6.646 4.516 91 HA VAL 12 HA VAL 12 -6.911 7.011 3.656 92 HB VAL 12 HB VAL 12 -8.699 6.481 2.116 93 1HG1 VAL 12 1HG1 VAL 12 -10.613 7.694 2.931 94 2HG1 VAL 12 2HG1 VAL 12 -9.815 9.257 2.690 95 3HG1 VAL 12 3HG1 VAL 12 -10.274 8.249 1.306 96 1HG2 VAL 12 1HG2 VAL 12 -6.679 7.627 1.281 97 2HG2 VAL 12 2HG2 VAL 12 -8.130 8.010 0.319 98 3HG2 VAL 12 3HG2 VAL 12 -7.487 9.194 1.468 99 H ARG 13 H ARG 13 -9.144 9.146 5.430 100 HA ARG 13 HA ARG 13 -7.734 11.532 4.675 101 1HB ARG 13 1HB ARG 13 -8.957 12.673 6.351 102 2HB ARG 13 2HB ARG 13 -10.070 11.452 5.712 103 1HG ARG 13 1HG ARG 13 -9.425 9.991 7.692 104 2HG ARG 13 2HG ARG 13 -8.454 11.359 8.289 105 1HD ARG 13 1HD ARG 13 -10.441 12.726 8.532 106 2HD ARG 13 2HD ARG 13 -11.453 11.357 7.992 107 HE ARG 13 HE ARG 13 -9.685 10.476 10.033 108 1HH1 ARG 13 2HH2 ARG 13 -12.261 12.864 9.887 109 2HH1 ARG 13 1HH2 ARG 13 -13.060 12.402 11.335 110 1HH2 ARG 13 2HH1 ARG 13 -10.582 9.868 12.036 111 2HH2 ARG 13 1HH1 ARG 13 -11.955 10.685 12.714 112 H ASP 14 H ASP 14 -7.241 9.067 7.151 113 HA ASP 14 HA ASP 14 -5.668 10.707 8.885 114 1HB ASP 14 1HB ASP 14 -6.536 7.840 8.755 115 2HB ASP 14 2HB ASP 14 -5.147 8.192 9.736 116 H VAL 15 H VAL 15 -5.052 8.727 6.205 117 HA VAL 15 HA VAL 15 -2.330 7.928 6.741 118 HB VAL 15 HB VAL 15 -4.187 7.831 4.289 119 1HG1 VAL 15 1HG1 VAL 15 -2.672 5.983 3.597 120 2HG1 VAL 15 2HG1 VAL 15 -1.932 7.569 3.457 121 3HG1 VAL 15 3HG1 VAL 15 -1.509 6.512 4.840 122 1HG2 VAL 15 1HG2 VAL 15 -4.763 6.440 6.456 123 2HG2 VAL 15 2HG2 VAL 15 -4.614 5.527 4.961 124 3HG2 VAL 15 3HG2 VAL 15 -3.291 5.548 6.151 125 H LEU 16 H LEU 16 -1.953 10.206 7.310 126 HA LEU 16 HA LEU 16 -2.011 12.431 5.856 127 1HB LEU 16 1HB LEU 16 -0.141 11.307 7.913 128 2HB LEU 16 2HB LEU 16 0.277 12.838 7.234 129 HG LEU 16 HG LEU 16 -2.477 12.287 8.376 130 1HD1 LEU 16 1HD1 LEU 16 -0.010 13.359 9.812 131 2HD1 LEU 16 2HD1 LEU 16 -1.690 13.457 10.446 132 3HD1 LEU 16 3HD1 LEU 16 -0.939 11.896 10.181 133 1HD2 LEU 16 1HD2 LEU 16 -2.300 14.279 6.909 134 2HD2 LEU 16 2HD2 LEU 16 -2.644 14.725 8.584 135 3HD2 LEU 16 3HD2 LEU 16 -0.999 14.917 7.927 136 H VAL 17 H VAL 17 0.459 9.928 5.273 137 HA VAL 17 HA VAL 17 1.032 11.375 2.758 138 HB VAL 17 HB VAL 17 3.187 11.410 2.944 139 1HG1 VAL 17 1HG1 VAL 17 4.292 11.445 5.043 140 2HG1 VAL 17 2HG1 VAL 17 2.688 12.204 5.189 141 3HG1 VAL 17 3HG1 VAL 17 2.954 10.539 5.794 142 1HG2 VAL 17 1HG2 VAL 17 3.376 8.647 4.147 143 2HG2 VAL 17 2HG2 VAL 17 3.632 9.125 2.446 144 3HG2 VAL 17 3HG2 VAL 17 4.744 9.675 3.685 145 H ARG 18 H ARG 18 0.105 10.265 1.170 146 HA ARG 18 HA ARG 18 -0.403 7.384 1.545 147 1HB ARG 18 1HB ARG 18 -2.206 8.544 -0.324 148 2HB ARG 18 2HB ARG 18 -2.532 7.801 1.221 149 1HG ARG 18 1HG ARG 18 -1.937 10.388 1.984 150 2HG ARG 18 2HG ARG 18 -2.452 10.642 0.351 151 1HD ARG 18 1HD ARG 18 -4.531 9.350 0.890 152 2HD ARG 18 2HD ARG 18 -4.027 9.265 2.555 153 HE ARG 18 HE ARG 18 -4.919 11.559 0.972 154 1HH1 ARG 18 2HH2 ARG 18 -3.663 10.687 4.117 155 2HH1 ARG 18 1HH2 ARG 18 -4.590 11.883 5.006 156 1HH2 ARG 18 2HH1 ARG 18 -5.686 13.454 2.041 157 2HH2 ARG 18 1HH1 ARG 18 -5.394 13.639 3.758 158 H GLY 19 H GLY 19 2.130 8.159 0.584 159 1HA GLY 19 1HA GLY 19 2.031 6.938 -2.060 160 2HA GLY 19 2HA GLY 19 2.610 8.629 -2.027 161 H PHE 20 H PHE 20 3.126 5.362 -0.911 162 HA PHE 20 HA PHE 20 4.966 5.365 0.986 163 1HB PHE 20 1HB PHE 20 4.485 3.597 -1.366 164 2HB PHE 20 2HB PHE 20 5.974 3.361 -0.512 165 HD1 PHE 20 1HD PHE 20 2.703 2.233 -0.729 166 HD2 PHE 20 2HD PHE 20 5.814 3.124 2.144 167 HE1 PHE 20 1HE PHE 20 1.695 0.632 0.856 168 HE2 PHE 20 2HE PHE 20 4.668 1.651 3.788 169 HZ PHE 20 HZ PHE 20 2.655 0.369 3.144 170 H GLY 21 H GLY 21 5.758 6.104 -2.328 171 1HA GLY 21 1HA GLY 21 8.214 7.394 -1.608 172 2HA GLY 21 2HA GLY 21 8.567 5.923 -2.515 173 H ASP 22 H ASP 22 5.848 7.867 -2.786 174 HA ASP 22 HA ASP 22 4.851 9.235 -4.050 175 1HB ASP 22 1HB ASP 22 7.181 10.420 -3.321 176 2HB ASP 22 2HB ASP 22 7.188 10.733 -5.050 177 H SER 23 H SER 23 7.098 7.333 -5.678 178 HA SER 23 HA SER 23 5.879 7.650 -8.377 179 1HB SER 23 1HB SER 23 8.592 6.705 -7.458 180 2HB SER 23 2HB SER 23 8.016 6.498 -9.102 181 HG SER 23 HG SER 23 7.799 9.103 -8.240 182 H VAL 24 H VAL 24 5.722 5.518 -9.603 183 HA VAL 24 HA VAL 24 4.256 3.627 -8.022 184 HB VAL 24 HB VAL 24 5.371 3.141 -10.827 185 1HG1 VAL 24 1HG1 VAL 24 4.488 1.111 -9.691 186 2HG1 VAL 24 2HG1 VAL 24 2.986 2.005 -9.312 187 3HG1 VAL 24 3HG1 VAL 24 3.400 1.622 -10.979 188 1HG2 VAL 24 1HG2 VAL 24 4.059 5.210 -10.792 189 2HG2 VAL 24 2HG2 VAL 24 3.184 3.903 -11.607 190 3HG2 VAL 24 3HG2 VAL 24 2.743 4.355 -9.936 191 H GLU 25 H GLU 25 7.436 3.307 -9.648 192 HA GLU 25 HA GLU 25 7.711 0.629 -8.777 193 1HB GLU 25 1HB GLU 25 9.729 2.727 -9.694 194 2HB GLU 25 2HB GLU 25 10.184 1.051 -9.311 195 1HG GLU 25 1HG GLU 25 8.090 0.598 -11.025 196 2HG GLU 25 2HG GLU 25 8.670 2.129 -11.663 197 H GLU 26 H GLU 26 8.743 3.704 -7.407 198 HA GLU 26 HA GLU 26 10.166 2.789 -5.124 199 1HB GLU 26 1HB GLU 26 8.337 5.251 -5.433 200 2HB GLU 26 2HB GLU 26 9.471 4.928 -4.102 201 1HG GLU 26 1HG GLU 26 10.240 5.473 -6.968 202 2HG GLU 26 2HG GLU 26 10.518 6.469 -5.499 203 H ALA 27 H ALA 27 6.684 3.678 -5.475 204 HA ALA 27 HA ALA 27 6.146 3.100 -2.777 205 1HB ALA 27 1HB ALA 27 3.770 3.197 -3.472 206 2HB ALA 27 2HB ALA 27 4.695 4.477 -4.258 207 3HB ALA 27 3HB ALA 27 4.251 3.011 -5.170 208 H LEU 28 H LEU 28 5.920 0.952 -5.671 209 HA LEU 28 HA LEU 28 5.053 -1.364 -4.297 210 1HB LEU 28 1HB LEU 28 5.779 -0.742 -6.883 211 2HB LEU 28 2HB LEU 28 7.134 -1.755 -6.420 212 HG LEU 28 HG LEU 28 4.177 -2.469 -6.258 213 1HD1 LEU 28 1HD1 LEU 28 5.053 -2.334 -8.576 214 2HD1 LEU 28 2HD1 LEU 28 6.339 -3.478 -8.161 215 3HD1 LEU 28 3HD1 LEU 28 4.643 -3.998 -8.136 216 1HD2 LEU 28 1HD2 LEU 28 4.968 -4.817 -5.873 217 2HD2 LEU 28 2HD2 LEU 28 6.616 -4.185 -5.650 218 3HD2 LEU 28 3HD2 LEU 28 5.310 -3.719 -4.534 219 H SER 29 H SER 29 8.389 -0.156 -4.762 220 HA SER 29 HA SER 29 9.825 -2.280 -3.538 221 1HB SER 29 1HB SER 29 10.483 -0.173 -5.052 222 2HB SER 29 2HB SER 29 10.621 0.682 -3.515 223 HG SER 29 HG SER 29 12.546 -0.011 -4.195 224 H GLU 30 H GLU 30 8.940 0.974 -2.176 225 HA GLU 30 HA GLU 30 9.836 0.473 0.456 226 1HB GLU 30 1HB GLU 30 7.603 2.181 -0.664 227 2HB GLU 30 2HB GLU 30 8.215 2.343 0.964 228 1HG GLU 30 1HG GLU 30 9.321 3.199 -1.624 229 2HG GLU 30 2HG GLU 30 9.233 4.090 -0.140 230 H ALA 31 H ALA 31 6.646 -0.068 -1.139 231 HA ALA 31 HA ALA 31 5.222 -0.675 1.176 232 1HB ALA 31 1HB ALA 31 4.899 -1.688 -1.674 233 2HB ALA 31 2HB ALA 31 3.703 -1.952 -0.393 234 3HB ALA 31 3HB ALA 31 4.095 -0.303 -0.910 235 H ARG 32 H ARG 32 7.076 -2.899 -0.977 236 HA ARG 32 HA ARG 32 6.470 -5.262 0.579 237 1HB ARG 32 1HB ARG 32 7.745 -6.333 -1.005 238 2HB ARG 32 2HB ARG 32 7.571 -4.838 -1.858 239 1HG ARG 32 1HG ARG 32 9.883 -4.208 -0.758 240 2HG ARG 32 2HG ARG 32 9.950 -5.912 -0.345 241 1HD ARG 32 1HD ARG 32 9.410 -6.292 -2.896 242 2HD ARG 32 2HD ARG 32 9.863 -4.609 -3.088 243 HE ARG 32 HE ARG 32 12.061 -5.099 -2.783 244 1HH1 ARG 32 2HH2 ARG 32 10.250 -8.051 -1.944 245 2HH1 ARG 32 1HH2 ARG 32 11.635 -8.901 -1.351 246 1HH2 ARG 32 2HH1 ARG 32 13.901 -6.273 -2.087 247 2HH2 ARG 32 1HH1 ARG 32 13.758 -7.873 -1.449 248 H GLU 33 H GLU 33 8.863 -2.743 1.000 249 HA GLU 33 HA GLU 33 10.261 -4.181 3.035 250 1HB GLU 33 1HB GLU 33 10.362 -1.521 1.722 251 2HB GLU 33 2HB GLU 33 10.614 -1.358 3.445 252 1HG GLU 33 1HG GLU 33 12.158 -3.177 1.568 253 2HG GLU 33 2HG GLU 33 12.697 -1.613 2.201 254 H HIS 34 H HIS 34 7.685 -1.689 3.068 255 HA HIS 34 HA HIS 34 7.682 -1.352 5.910 256 1HB HIS 34 1HB HIS 34 5.759 -0.606 3.700 257 2HB HIS 34 2HB HIS 34 5.386 -0.328 5.398 258 HD1 HIS 34 1HD HIS 34 8.411 0.584 3.101 259 HD2 HIS 34 2HD HIS 34 5.955 2.050 6.175 260 HE1 HIS 34 1HE HIS 34 9.260 2.935 3.650 261 H LEU 35 H LEU 35 5.936 -3.509 3.716 262 HA LEU 35 HA LEU 35 4.169 -4.762 5.559 263 1HB LEU 35 1HB LEU 35 5.731 -5.720 3.128 264 2HB LEU 35 2HB LEU 35 4.762 -6.849 4.026 265 HG LEU 35 HG LEU 35 3.791 -4.414 2.526 266 1HD1 LEU 35 1HD1 LEU 35 4.400 -6.384 1.199 267 2HD1 LEU 35 2HD1 LEU 35 3.250 -7.367 2.146 268 3HD1 LEU 35 3HD1 LEU 35 2.654 -6.030 1.126 269 1HD2 LEU 35 1HD2 LEU 35 2.383 -4.539 4.454 270 2HD2 LEU 35 2HD2 LEU 35 1.484 -5.178 3.089 271 3HD2 LEU 35 3HD2 LEU 35 2.196 -6.303 4.285 272 H LYS 36 H LYS 36 7.583 -5.674 4.763 273 HA LYS 36 HA LYS 36 7.813 -7.725 6.647 274 1HB LYS 36 1HB LYS 36 9.130 -7.530 4.699 275 2HB LYS 36 2HB LYS 36 9.674 -5.933 5.047 276 1HG LYS 36 1HG LYS 36 10.272 -8.298 6.790 277 2HG LYS 36 2HG LYS 36 11.275 -7.896 5.390 278 1HD LYS 36 1HD LYS 36 11.115 -6.385 8.013 279 2HD LYS 36 2HD LYS 36 12.512 -7.050 7.164 280 1HE LYS 36 1HE LYS 36 11.806 -5.424 5.237 281 2HE LYS 36 2HE LYS 36 10.870 -4.590 6.469 282 1HZ LYS 36 1HZ LYS 36 12.996 -3.618 6.154 283 2HZ LYS 36 2HZ LYS 36 12.944 -4.272 7.695 284 3HZ LYS 36 3HZ LYS 36 13.790 -4.986 6.462 285 H ASN 37 H ASN 37 8.645 -4.287 6.806 286 HA ASN 37 HA ASN 37 9.784 -4.322 9.464 287 1HB ASN 37 1HB ASN 37 8.531 -2.094 7.821 288 2HB ASN 37 2HB ASN 37 9.167 -1.821 9.425 289 1HD2 ASN 37 1HD2 ASN 37 10.028 -2.234 6.092 290 2HD2 ASN 37 2HD2 ASN 37 11.703 -1.780 6.302 291 H GLY 38 H GLY 38 6.446 -4.471 8.413 292 1HA GLY 38 1HA GLY 38 4.560 -4.810 9.702 293 2HA GLY 38 2HA GLY 38 5.406 -4.276 11.157 294 H THR 39 H THR 39 6.077 -2.029 8.687 295 HA THR 39 HA THR 39 4.397 -0.039 10.083 296 HB THR 39 HB THR 39 6.039 1.517 8.932 297 HG1 THR 39 1HG THR 39 7.818 0.654 7.976 298 1HG2 THR 39 1HG2 THR 39 7.346 -0.679 10.608 299 2HG2 THR 39 2HG2 THR 39 7.962 0.957 10.355 300 3HG2 THR 39 3HG2 THR 39 6.453 0.722 11.249 301 H CYS 40 H CYS 40 2.924 -1.725 8.432 302 HA CYS 40 HA CYS 40 2.137 0.109 6.219 303 1HB CYS 40 1HB CYS 40 3.350 -1.646 5.169 304 2HB CYS 40 2HB CYS 40 2.492 -2.904 6.097 305 HG CYS 40 HG CYS 40 1.873 -2.538 3.391 306 H GLY 41 H GLY 41 -0.072 0.128 5.764 307 1HA GLY 41 1HA GLY 41 -1.925 -1.371 7.391 308 2HA GLY 41 2HA GLY 41 -2.087 0.359 7.468 309 H LEU 42 H LEU 42 -4.179 -0.996 6.514 310 HA LEU 42 HA LEU 42 -4.110 -1.171 3.546 311 1HB LEU 42 1HB LEU 42 -4.857 -3.139 4.954 312 2HB LEU 42 2HB LEU 42 -6.102 -2.106 5.641 313 HG LEU 42 HG LEU 42 -7.036 -1.848 3.237 314 1HD1 LEU 42 1HD1 LEU 42 -4.994 -2.758 2.054 315 2HD1 LEU 42 2HD1 LEU 42 -5.317 -4.332 2.787 316 3HD1 LEU 42 3HD1 LEU 42 -6.483 -3.612 1.653 317 1HD2 LEU 42 1HD2 LEU 42 -7.070 -4.576 4.554 318 2HD2 LEU 42 2HD2 LEU 42 -8.122 -3.202 4.961 319 3HD2 LEU 42 3HD2 LEU 42 -8.245 -3.949 3.377 320 H VAL 43 H VAL 43 -5.641 -0.055 2.324 321 HA VAL 43 HA VAL 43 -7.524 1.752 3.653 322 HB VAL 43 HB VAL 43 -5.598 2.338 1.394 323 1HG1 VAL 43 1HG1 VAL 43 -8.206 3.839 1.890 324 2HG1 VAL 43 2HG1 VAL 43 -6.865 4.409 0.880 325 3HG1 VAL 43 3HG1 VAL 43 -7.748 2.954 0.414 326 1HG2 VAL 43 1HG2 VAL 43 -5.162 4.381 2.642 327 2HG2 VAL 43 2HG2 VAL 43 -6.509 4.046 3.753 328 3HG2 VAL 43 3HG2 VAL 43 -5.078 3.015 3.769 329 H GLU 44 H GLU 44 -9.507 1.537 3.077 330 HA GLU 44 HA GLU 44 -10.217 -0.656 1.264 331 1HB GLU 44 1HB GLU 44 -11.895 1.274 2.908 332 2HB GLU 44 2HB GLU 44 -12.557 -0.049 1.931 333 1HG GLU 44 1HG GLU 44 -11.206 -1.673 3.303 334 2HG GLU 44 2HG GLU 44 -10.681 -0.326 4.325 335 H LEU 45 H LEU 45 -10.947 -0.389 -0.744 336 HA LEU 45 HA LEU 45 -10.629 2.188 -2.081 337 1HB LEU 45 1HB LEU 45 -11.245 -0.636 -2.928 338 2HB LEU 45 2HB LEU 45 -11.720 0.667 -4.023 339 HG LEU 45 HG LEU 45 -8.910 0.570 -2.864 340 1HD1 LEU 45 1HD1 LEU 45 -9.883 -0.784 -5.406 341 2HD1 LEU 45 2HD1 LEU 45 -8.173 -0.550 -4.963 342 3HD1 LEU 45 3HD1 LEU 45 -9.213 -1.575 -3.973 343 1HD2 LEU 45 1HD2 LEU 45 -9.790 2.689 -3.975 344 2HD2 LEU 45 2HD2 LEU 45 -8.375 2.002 -4.730 345 3HD2 LEU 45 3HD2 LEU 45 -9.973 1.758 -5.472 346 H GLU 46 H GLU 46 -12.079 3.710 -2.459 347 HA GLU 46 HA GLU 46 -14.937 3.141 -2.513 348 1HB GLU 46 1HB GLU 46 -13.798 5.457 -0.976 349 2HB GLU 46 2HB GLU 46 -15.483 5.032 -1.135 350 1HG GLU 46 1HG GLU 46 -13.401 3.386 0.385 351 2HG GLU 46 2HG GLU 46 -14.475 4.585 1.068 352 H LYS 47 H LYS 47 -16.011 5.139 -3.552 353 HA LYS 47 HA LYS 47 -14.748 6.092 -5.875 354 1HB LYS 47 1HB LYS 47 -17.200 6.086 -5.356 355 2HB LYS 47 2HB LYS 47 -16.953 7.499 -4.321 356 1HG LYS 47 1HG LYS 47 -16.113 8.778 -6.295 357 2HG LYS 47 2HG LYS 47 -16.189 7.313 -7.266 358 1HD LYS 47 1HD LYS 47 -18.066 8.439 -7.943 359 2HD LYS 47 2HD LYS 47 -18.753 7.314 -6.770 360 1HE LYS 47 1HE LYS 47 -17.903 10.173 -6.144 361 2HE LYS 47 2HE LYS 47 -19.532 9.761 -6.715 362 1HZ LYS 47 1HZ LYS 47 -19.577 9.933 -4.395 363 2HZ LYS 47 2HZ LYS 47 -19.745 8.339 -4.713 364 3HZ LYS 47 3HZ LYS 47 -18.301 8.976 -4.152 365 H GLY 48 H GLY 48 -14.897 7.738 -2.648 366 1HA GLY 48 1HA GLY 48 -13.530 10.072 -3.731 367 2HA GLY 48 2HA GLY 48 -14.122 9.812 -2.090 368 H VAL 49 H VAL 49 -12.282 7.062 -2.877 369 HA VAL 49 HA VAL 49 -10.179 8.045 -1.096 370 HB VAL 49 HB VAL 49 -10.999 5.414 -2.340 371 1HG1 VAL 49 1HG1 VAL 49 -8.513 5.661 -0.637 372 2HG1 VAL 49 2HG1 VAL 49 -9.302 4.151 -1.117 373 3HG1 VAL 49 3HG1 VAL 49 -8.566 5.175 -2.352 374 1HG2 VAL 49 1HG2 VAL 49 -10.494 6.012 0.600 375 2HG2 VAL 49 2HG2 VAL 49 -12.019 6.489 -0.159 376 3HG2 VAL 49 3HG2 VAL 49 -11.543 4.783 -0.108 377 H LEU 50 H LEU 50 -10.140 6.621 -4.410 378 HA LEU 50 HA LEU 50 -7.428 6.942 -4.944 379 1HB LEU 50 1HB LEU 50 -9.920 7.208 -6.610 380 2HB LEU 50 2HB LEU 50 -8.356 7.595 -7.329 381 HG LEU 50 HG LEU 50 -9.592 4.985 -6.714 382 1HD1 LEU 50 1HD1 LEU 50 -9.160 5.931 -8.999 383 2HD1 LEU 50 2HD1 LEU 50 -7.419 5.773 -8.703 384 3HD1 LEU 50 3HD1 LEU 50 -8.447 4.328 -8.759 385 1HD2 LEU 50 1HD2 LEU 50 -7.478 3.734 -6.603 386 2HD2 LEU 50 2HD2 LEU 50 -6.599 5.260 -6.381 387 3HD2 LEU 50 3HD2 LEU 50 -7.776 4.702 -5.158 388 HA PRO 51 HA PRO 51 -7.796 11.457 -6.206 389 1HB PRO 51 1HB PRO 51 -9.948 13.017 -5.694 390 2HB PRO 51 2HB PRO 51 -9.887 11.906 -7.095 391 1HG PRO 51 1HG PRO 51 -11.231 11.467 -4.426 392 2HG PRO 51 2HG PRO 51 -11.883 11.157 -6.073 393 1HD PRO 51 1HD PRO 51 -10.732 9.253 -4.492 394 2HD PRO 51 2HD PRO 51 -10.687 9.144 -6.246 395 H GLN 52 H GLN 52 -8.566 10.323 -3.045 396 HA GLN 52 HA GLN 52 -7.555 12.756 -1.678 397 1HB GLN 52 1HB GLN 52 -8.746 10.124 -0.681 398 2HB GLN 52 2HB GLN 52 -7.889 11.253 0.374 399 1HG GLN 52 1HG GLN 52 -9.459 13.015 -0.175 400 2HG GLN 52 2HG GLN 52 -10.372 11.961 -1.222 401 1HE2 GLN 52 1HE2 GLN 52 -11.626 10.261 -0.203 402 2HE2 GLN 52 2HE2 GLN 52 -11.974 10.222 1.532 403 H LEU 53 H LEU 53 -6.449 9.667 -2.967 404 HA LEU 53 HA LEU 53 -4.051 9.639 -1.201 405 1HB LEU 53 1HB LEU 53 -5.117 7.827 -3.385 406 2HB LEU 53 2HB LEU 53 -3.396 7.805 -2.941 407 HG LEU 53 HG LEU 53 -4.543 7.799 -0.535 408 1HD1 LEU 53 1HD1 LEU 53 -6.207 6.005 -0.448 409 2HD1 LEU 53 2HD1 LEU 53 -6.752 7.468 -1.266 410 3HD1 LEU 53 3HD1 LEU 53 -6.311 6.053 -2.221 411 1HD2 LEU 53 1HD2 LEU 53 -3.911 5.494 -0.270 412 2HD2 LEU 53 2HD2 LEU 53 -3.653 5.386 -2.036 413 3HD2 LEU 53 3HD2 LEU 53 -2.682 6.506 -1.040 414 H GLU 54 H GLU 54 -1.930 9.336 -2.535 415 HA GLU 54 HA GLU 54 -1.562 11.869 -3.954 416 1HB GLU 54 1HB GLU 54 0.468 9.746 -3.249 417 2HB GLU 54 2HB GLU 54 0.785 11.408 -3.738 418 1HG GLU 54 1HG GLU 54 -0.441 10.450 -1.133 419 2HG GLU 54 2HG GLU 54 1.108 11.223 -1.386 420 H GLN 55 H GLN 55 -0.091 8.820 -5.012 421 HA GLN 55 HA GLN 55 -1.898 8.767 -7.206 422 1HB GLN 55 1HB GLN 55 0.579 10.288 -7.397 423 2HB GLN 55 2HB GLN 55 0.538 8.961 -8.602 424 1HG GLN 55 1HG GLN 55 -1.019 11.466 -8.392 425 2HG GLN 55 2HG GLN 55 -0.363 10.691 -9.828 426 1HE2 GLN 55 1HE2 GLN 55 -1.852 8.060 -9.608 427 2HE2 GLN 55 2HE2 GLN 55 -3.513 8.501 -9.402 428 HA PRO 56 HA PRO 56 0.826 5.178 -8.025 429 1HB PRO 56 1HB PRO 56 2.959 4.406 -6.463 430 2HB PRO 56 2HB PRO 56 3.002 5.400 -7.963 431 1HG PRO 56 1HG PRO 56 3.429 6.344 -5.189 432 2HG PRO 56 2HG PRO 56 3.923 7.018 -6.761 433 1HD PRO 56 1HD PRO 56 1.740 7.919 -5.228 434 2HD PRO 56 2HD PRO 56 2.169 8.385 -6.898 435 H TYR 57 H TYR 57 -0.984 4.356 -7.427 436 HA TYR 57 HA TYR 57 -1.711 3.776 -4.657 437 1HB TYR 57 1HB TYR 57 -3.139 3.000 -7.201 438 2HB TYR 57 2HB TYR 57 -3.827 3.050 -5.585 439 HD1 TYR 57 1HD TYR 57 -2.959 5.757 -4.567 440 HD2 TYR 57 2HD TYR 57 -4.130 4.550 -8.531 441 HE1 TYR 57 1HE TYR 57 -3.722 8.081 -5.024 442 HE2 TYR 57 2HE TYR 57 -4.773 6.876 -9.066 443 HH TYR 57 HH TYR 57 -5.187 9.302 -6.518 444 H VAL 58 H VAL 58 -0.479 2.187 -3.736 445 HA VAL 58 HA VAL 58 0.248 -0.188 -5.159 446 HB VAL 58 HB VAL 58 0.476 0.511 -2.209 447 1HG1 VAL 58 1HG1 VAL 58 2.146 -1.224 -2.092 448 2HG1 VAL 58 2HG1 VAL 58 0.644 -1.937 -2.691 449 3HG1 VAL 58 3HG1 VAL 58 1.970 -1.586 -3.826 450 1HG2 VAL 58 1HG2 VAL 58 2.487 0.750 -4.504 451 2HG2 VAL 58 2HG2 VAL 58 1.746 2.095 -3.619 452 3HG2 VAL 58 3HG2 VAL 58 2.853 0.998 -2.787 453 H PHE 59 H PHE 59 -1.695 -1.174 -5.828 454 HA PHE 59 HA PHE 59 -3.868 -1.755 -3.915 455 1HB PHE 59 1HB PHE 59 -3.397 -2.732 -6.750 456 2HB PHE 59 2HB PHE 59 -4.880 -2.899 -5.845 457 HD1 PHE 59 1HD PHE 59 -3.273 -1.008 -8.323 458 HD2 PHE 59 2HD PHE 59 -5.808 -0.589 -4.871 459 HE1 PHE 59 1HE PHE 59 -4.178 1.107 -9.232 460 HE2 PHE 59 2HE PHE 59 -6.568 1.618 -5.700 461 HZ PHE 59 HZ PHE 59 -5.814 2.450 -7.940 462 H ILE 60 H ILE 60 -4.802 -3.886 -3.791 463 HA ILE 60 HA ILE 60 -2.825 -6.072 -3.813 464 HB ILE 60 HB ILE 60 -3.599 -6.874 -1.694 465 1HG1 ILE 60 1HG1 ILE 60 -5.267 -4.391 -1.241 466 2HG1 ILE 60 2HG1 ILE 60 -5.932 -5.966 -1.690 467 1HG2 ILE 60 1HG2 ILE 60 -2.568 -5.164 -0.268 468 2HG2 ILE 60 2HG2 ILE 60 -1.694 -5.348 -1.808 469 3HG2 ILE 60 3HG2 ILE 60 -2.796 -3.972 -1.539 470 1HD1 ILE 60 1HD1 ILE 60 -4.972 -6.996 0.327 471 2HD1 ILE 60 2HD1 ILE 60 -4.422 -5.393 0.857 472 3HD1 ILE 60 3HD1 ILE 60 -6.148 -5.725 0.674 473 H LYS 61 H LYS 61 -3.554 -7.824 -4.904 474 HA LYS 61 HA LYS 61 -6.473 -8.122 -5.256 475 1HB LYS 61 1HB LYS 61 -5.492 -9.350 -7.513 476 2HB LYS 61 2HB LYS 61 -6.351 -7.798 -7.443 477 1HG LYS 61 1HG LYS 61 -4.343 -6.618 -7.472 478 2HG LYS 61 2HG LYS 61 -3.365 -8.083 -7.140 479 1HD LYS 61 1HD LYS 61 -4.568 -8.843 -9.486 480 2HD LYS 61 2HD LYS 61 -4.503 -7.068 -9.683 481 1HE LYS 61 1HE LYS 61 -2.148 -7.074 -9.148 482 2HE LYS 61 2HE LYS 61 -2.223 -8.804 -8.773 483 1HZ LYS 61 1HZ LYS 61 -1.236 -8.483 -10.903 484 2HZ LYS 61 2HZ LYS 61 -2.734 -9.126 -11.176 485 3HZ LYS 61 3HZ LYS 61 -2.458 -7.533 -11.453 486 H ARG 62 H ARG 62 -7.211 -10.257 -5.401 487 HA ARG 62 HA ARG 62 -5.938 -11.950 -3.516 488 1HB ARG 62 1HB ARG 62 -7.873 -13.465 -3.982 489 2HB ARG 62 2HB ARG 62 -8.231 -11.879 -3.344 490 1HG ARG 62 1HG ARG 62 -9.025 -11.065 -5.319 491 2HG ARG 62 2HG ARG 62 -8.312 -12.264 -6.367 492 1HD ARG 62 1HD ARG 62 -10.189 -13.479 -4.440 493 2HD ARG 62 2HD ARG 62 -10.951 -12.183 -5.362 494 HE ARG 62 HE ARG 62 -9.540 -14.545 -6.504 495 1HH1 ARG 62 2HH2 ARG 62 -12.246 -12.192 -6.941 496 2HH1 ARG 62 1HH2 ARG 62 -12.436 -12.648 -8.604 497 1HH2 ARG 62 2HH1 ARG 62 -9.778 -14.947 -8.690 498 2HH2 ARG 62 1HH1 ARG 62 -10.886 -14.055 -9.678 499 H SER 63 H SER 63 -4.114 -11.886 -5.343 500 HA SER 63 HA SER 63 -2.739 -12.954 -6.828 501 1HB SER 63 1HB SER 63 -2.793 -14.774 -5.060 502 2HB SER 63 2HB SER 63 -4.116 -15.522 -5.974 503 HG SER 63 HG SER 63 -1.829 -16.251 -6.331 504 H ASP 64 H ASP 64 -3.055 -14.541 -8.913 505 HA ASP 64 HA ASP 64 -5.871 -14.345 -9.911 506 1HB ASP 64 1HB ASP 64 -4.123 -12.572 -10.809 507 2HB ASP 64 2HB ASP 64 -3.646 -13.895 -11.871 508 H ALA 65 H ALA 65 -3.496 -16.354 -9.002 509 HA ALA 65 HA ALA 65 -4.320 -18.503 -10.886 510 1HB ALA 65 1HB ALA 65 -2.070 -17.814 -11.501 511 2HB ALA 65 2HB ALA 65 -1.568 -17.899 -9.797 512 3HB ALA 65 3HB ALA 65 -2.003 -19.392 -10.698 513 H LEU 66 H LEU 66 -5.821 -18.164 -8.980 514 HA LEU 66 HA LEU 66 -5.713 -20.584 -7.432 515 1HB LEU 66 1HB LEU 66 -5.889 -17.801 -6.193 516 2HB LEU 66 2HB LEU 66 -6.675 -19.169 -5.419 517 HG LEU 66 HG LEU 66 -3.705 -19.260 -6.088 518 1HD1 LEU 66 1HD1 LEU 66 -3.989 -17.337 -4.838 519 2HD1 LEU 66 2HD1 LEU 66 -5.044 -18.142 -3.647 520 3HD1 LEU 66 3HD1 LEU 66 -3.312 -18.572 -3.774 521 1HD2 LEU 66 1HD2 LEU 66 -3.684 -20.909 -4.281 522 2HD2 LEU 66 2HD2 LEU 66 -5.451 -20.774 -4.107 523 3HD2 LEU 66 3HD2 LEU 66 -4.737 -21.409 -5.615 524 H SER 67 H SER 67 -8.030 -21.004 -6.687 525 HA SER 67 HA SER 67 -10.122 -19.163 -7.374 526 1HB SER 67 1HB SER 67 -11.214 -20.779 -9.029 527 2HB SER 67 2HB SER 67 -9.900 -19.780 -9.623 528 HG SER 67 HG SER 67 -8.500 -21.550 -9.474 529 H THR 68 H THR 68 -10.271 -19.627 -5.005 530 HA THR 68 HA THR 68 -11.662 -22.178 -4.475 531 HB THR 68 HB THR 68 -10.346 -22.834 -2.717 532 HG1 THR 68 1HG THR 68 -9.025 -20.321 -2.818 533 1HG2 THR 68 1HG2 THR 68 -8.268 -21.809 -4.695 534 2HG2 THR 68 2HG2 THR 68 -8.087 -23.144 -3.560 535 3HG2 THR 68 3HG2 THR 68 -9.237 -23.293 -4.890 536 H ASN 69 H ASN 69 -12.402 -22.127 -1.995 537 HA ASN 69 HA ASN 69 -13.764 -19.494 -1.612 538 1HB ASN 69 1HB ASN 69 -15.076 -21.635 -2.504 539 2HB ASN 69 2HB ASN 69 -15.027 -22.090 -0.808 540 1HD2 ASN 69 1HD2 ASN 69 -16.115 -19.623 -3.129 541 2HD2 ASN 69 2HD2 ASN 69 -17.454 -19.054 -2.140 542 H HIS 70 H HIS 70 -11.285 -21.110 -0.368 543 HA HIS 70 HA HIS 70 -12.046 -21.818 2.208 544 1HB HIS 70 1HB HIS 70 -9.873 -22.339 2.642 545 2HB HIS 70 2HB HIS 70 -9.949 -22.489 0.905 546 HD1 HIS 70 1HD HIS 70 -7.593 -21.372 3.338 547 HD2 HIS 70 2HD HIS 70 -9.301 -19.707 -0.124 548 HE1 HIS 70 1HE HIS 70 -5.972 -19.579 2.547 549 H GLY 71 H GLY 71 -10.760 -20.845 4.223 550 1HA GLY 71 1HA GLY 71 -12.162 -18.605 4.998 551 2HA GLY 71 2HA GLY 71 -10.716 -19.205 5.812 552 H HIS 72 H HIS 72 -9.570 -18.355 2.817 553 HA HIS 72 HA HIS 72 -9.486 -15.478 3.101 554 1HB HIS 72 1HB HIS 72 -6.963 -17.191 3.215 555 2HB HIS 72 2HB HIS 72 -6.956 -15.480 2.806 556 HD1 HIS 72 1HD HIS 72 -7.474 -17.718 5.946 557 HD2 HIS 72 2HD HIS 72 -7.317 -13.676 4.708 558 HE1 HIS 72 1HE HIS 72 -7.206 -16.328 8.036 559 H LYS 73 H LYS 73 -7.875 -14.809 1.052 560 HA LYS 73 HA LYS 73 -8.619 -16.667 -1.107 561 1HB LYS 73 1HB LYS 73 -8.905 -13.640 -1.252 562 2HB LYS 73 2HB LYS 73 -9.250 -14.756 -2.573 563 1HG LYS 73 1HG LYS 73 -10.767 -14.805 0.082 564 2HG LYS 73 2HG LYS 73 -11.196 -13.824 -1.273 565 1HD LYS 73 1HD LYS 73 -10.895 -16.819 -1.643 566 2HD LYS 73 2HD LYS 73 -12.355 -16.101 -0.957 567 1HE LYS 73 1HE LYS 73 -12.598 -14.638 -2.950 568 2HE LYS 73 2HE LYS 73 -11.182 -15.419 -3.687 569 1HZ LYS 73 1HZ LYS 73 -13.368 -16.339 -4.390 570 2HZ LYS 73 2HZ LYS 73 -12.370 -17.477 -3.719 571 3HZ LYS 73 3HZ LYS 73 -13.628 -16.837 -2.859 572 H VAL 74 H VAL 74 -6.205 -15.435 0.469 573 HA VAL 74 HA VAL 74 -4.336 -14.542 0.434 574 HB VAL 74 HB VAL 74 -2.769 -15.398 -0.713 575 1HG1 VAL 74 1HG1 VAL 74 -3.093 -17.754 -1.239 576 2HG1 VAL 74 2HG1 VAL 74 -4.080 -17.293 0.157 577 3HG1 VAL 74 3HG1 VAL 74 -4.824 -17.487 -1.438 578 1HG2 VAL 74 1HG2 VAL 74 -4.290 -15.597 -3.286 579 2HG2 VAL 74 2HG2 VAL 74 -2.969 -14.480 -2.882 580 3HG2 VAL 74 3HG2 VAL 74 -2.629 -16.195 -3.020 581 H VAL 75 H VAL 75 -2.788 -12.912 -0.844 582 HA VAL 75 HA VAL 75 -3.961 -11.582 -3.034 583 HB VAL 75 HB VAL 75 -3.531 -9.252 -2.226 584 1HG1 VAL 75 1HG1 VAL 75 -5.859 -10.177 -2.260 585 2HG1 VAL 75 2HG1 VAL 75 -5.668 -10.412 -0.503 586 3HG1 VAL 75 3HG1 VAL 75 -5.517 -8.794 -1.215 587 1HG2 VAL 75 1HG2 VAL 75 -2.098 -9.514 -0.368 588 2HG2 VAL 75 2HG2 VAL 75 -3.660 -8.891 0.274 589 3HG2 VAL 75 3HG2 VAL 75 -3.229 -10.600 0.452 590 H GLU 76 H GLU 76 -2.270 -9.666 -3.619 591 HA GLU 76 HA GLU 76 0.450 -10.378 -2.995 592 1HB GLU 76 1HB GLU 76 1.135 -10.294 -5.356 593 2HB GLU 76 2HB GLU 76 0.042 -11.633 -5.043 594 1HG GLU 76 1HG GLU 76 -1.867 -10.298 -5.992 595 2HG GLU 76 2HG GLU 76 -0.716 -8.999 -6.378 596 H LEU 77 H LEU 77 1.867 -8.469 -3.856 597 HA LEU 77 HA LEU 77 0.599 -5.837 -3.449 598 1HB LEU 77 1HB LEU 77 3.416 -6.915 -3.881 599 2HB LEU 77 2HB LEU 77 3.102 -5.250 -4.307 600 HG LEU 77 HG LEU 77 2.451 -6.297 -1.535 601 1HD1 LEU 77 1HD1 LEU 77 4.578 -5.206 -0.821 602 2HD1 LEU 77 2HD1 LEU 77 4.887 -6.582 -1.907 603 3HD1 LEU 77 3HD1 LEU 77 5.000 -4.923 -2.514 604 1HD2 LEU 77 1HD2 LEU 77 3.017 -3.500 -2.598 605 2HD2 LEU 77 2HD2 LEU 77 1.394 -4.149 -2.329 606 3HD2 LEU 77 3HD2 LEU 77 2.496 -3.926 -0.955 607 H VAL 78 H VAL 78 0.341 -4.268 -5.121 608 HA VAL 78 HA VAL 78 1.439 -4.767 -7.769 609 HB VAL 78 HB VAL 78 -1.394 -3.755 -7.718 610 1HG1 VAL 78 1HG1 VAL 78 -1.585 -5.160 -9.724 611 2HG1 VAL 78 2HG1 VAL 78 -0.189 -4.071 -9.824 612 3HG1 VAL 78 3HG1 VAL 78 0.044 -5.793 -9.457 613 1HG2 VAL 78 1HG2 VAL 78 -1.034 -6.739 -7.364 614 2HG2 VAL 78 2HG2 VAL 78 -1.713 -5.643 -6.141 615 3HG2 VAL 78 3HG2 VAL 78 -2.508 -5.763 -7.683 616 H ALA 79 H ALA 79 1.373 -2.519 -8.951 617 HA ALA 79 HA ALA 79 0.524 -0.237 -7.338 618 1HB ALA 79 1HB ALA 79 2.863 -0.634 -6.589 619 2HB ALA 79 2HB ALA 79 3.407 -0.503 -8.273 620 3HB ALA 79 3HB ALA 79 2.662 0.888 -7.442 621 H GLU 80 H GLU 80 0.088 1.557 -8.729 622 HA GLU 80 HA GLU 80 0.493 1.328 -11.633 623 1HB GLU 80 1HB GLU 80 -2.147 1.201 -10.173 624 2HB GLU 80 2HB GLU 80 -2.065 2.035 -11.713 625 1HG GLU 80 1HG GLU 80 -1.226 -0.866 -11.338 626 2HG GLU 80 2HG GLU 80 -2.818 -0.331 -11.835 627 H MET 81 H MET 81 0.294 3.410 -12.673 628 HA MET 81 HA MET 81 1.029 5.603 -11.018 629 1HB MET 81 1HB MET 81 2.023 5.283 -13.206 630 2HB MET 81 2HB MET 81 0.443 5.111 -13.970 631 1HG MET 81 1HG MET 81 1.184 7.166 -14.658 632 2HG MET 81 2HG MET 81 -0.024 7.493 -13.442 633 1HE MET 81 1HE MET 81 0.346 8.860 -11.383 634 2HE MET 81 2HE MET 81 1.404 7.683 -10.562 635 3HE MET 81 3HE MET 81 1.908 9.376 -10.706 636 H ASP 82 H ASP 82 -1.571 5.701 -13.506 637 HA ASP 82 HA ASP 82 -3.202 7.552 -11.973 638 1HB ASP 82 1HB ASP 82 -3.784 5.798 -14.410 639 2HB ASP 82 2HB ASP 82 -4.860 7.045 -13.868 640 H GLY 83 H GLY 83 -2.692 4.346 -11.463 641 1HA GLY 83 1HA GLY 83 -3.847 2.689 -10.422 642 2HA GLY 83 2HA GLY 83 -5.281 3.732 -10.238 643 H ILE 84 H ILE 84 -3.807 3.394 -13.351 644 HA ILE 84 HA ILE 84 -5.725 2.884 -15.046 645 HB ILE 84 HB ILE 84 -2.975 1.679 -14.823 646 1HG1 ILE 84 1HG1 ILE 84 -3.372 3.456 -17.093 647 2HG1 ILE 84 2HG1 ILE 84 -4.078 4.204 -15.701 648 1HG2 ILE 84 1HG2 ILE 84 -2.973 1.094 -17.188 649 2HG2 ILE 84 2HG2 ILE 84 -3.956 0.037 -16.235 650 3HG2 ILE 84 3HG2 ILE 84 -4.748 1.273 -17.244 651 1HD1 ILE 84 1HD1 ILE 84 -1.226 3.139 -15.922 652 2HD1 ILE 84 2HD1 ILE 84 -1.723 4.840 -15.883 653 3HD1 ILE 84 3HD1 ILE 84 -1.917 3.835 -14.439 654 H GLN 85 H GLN 85 -4.142 -0.038 -13.648 655 HA GLN 85 HA GLN 85 -6.673 -1.544 -14.107 656 1HB GLN 85 1HB GLN 85 -3.737 -2.340 -14.044 657 2HB GLN 85 2HB GLN 85 -5.007 -3.518 -13.814 658 1HG GLN 85 1HG GLN 85 -5.403 -1.813 -16.232 659 2HG GLN 85 2HG GLN 85 -3.941 -2.800 -16.241 660 1HE2 GLN 85 1HE2 GLN 85 -7.446 -2.925 -16.612 661 2HE2 GLN 85 2HE2 GLN 85 -7.498 -4.675 -16.725 662 H TYR 86 H TYR 86 -7.069 -3.125 -12.441 663 HA TYR 86 HA TYR 86 -7.221 -4.019 -10.409 664 1HB TYR 86 1HB TYR 86 -4.808 -2.522 -9.433 665 2HB TYR 86 2HB TYR 86 -5.425 -4.087 -8.927 666 HD1 TYR 86 1HD TYR 86 -5.720 -5.776 -11.142 667 HD2 TYR 86 2HD TYR 86 -2.885 -2.545 -10.777 668 HE1 TYR 86 1HE TYR 86 -4.209 -6.939 -12.699 669 HE2 TYR 86 2HE TYR 86 -1.417 -3.630 -12.435 670 HH TYR 86 HH TYR 86 -0.993 -5.641 -13.648 671 H GLY 87 H GLY 87 -6.602 -0.456 -10.317 672 1HA GLY 87 1HA GLY 87 -7.923 0.285 -7.978 673 2HA GLY 87 2HA GLY 87 -7.939 1.194 -9.502 674 H ARG 88 H ARG 88 -9.767 -0.609 -7.319 675 HA ARG 88 HA ARG 88 -11.845 -1.535 -7.245 676 1HB ARG 88 1HB ARG 88 -12.204 0.877 -7.441 677 2HB ARG 88 2HB ARG 88 -12.488 0.739 -9.170 678 1HG ARG 88 1HG ARG 88 -14.169 -0.785 -7.137 679 2HG ARG 88 2HG ARG 88 -14.423 0.942 -7.428 680 1HD ARG 88 1HD ARG 88 -14.571 0.249 -9.962 681 2HD ARG 88 2HD ARG 88 -14.894 -1.366 -9.272 682 HE ARG 88 HE ARG 88 -16.543 0.555 -8.018 683 1HH1 ARG 88 2HH2 ARG 88 -16.212 -1.496 -10.902 684 2HH1 ARG 88 1HH2 ARG 88 -17.916 -1.729 -11.093 685 1HH2 ARG 88 2HH1 ARG 88 -18.709 0.401 -8.339 686 2HH2 ARG 88 1HH1 ARG 88 -19.415 -0.526 -9.638 687 H SER 89 H SER 89 -10.143 -3.014 -8.873 688 HA SER 89 HA SER 89 -12.120 -4.171 -10.775 689 1HB SER 89 1HB SER 89 -9.393 -5.242 -9.958 690 2HB SER 89 2HB SER 89 -10.418 -5.782 -11.287 691 HG SER 89 HG SER 89 -10.132 -3.543 -12.150 692 H GLY 90 H GLY 90 -12.993 -6.368 -10.206 693 1HA GLY 90 1HA GLY 90 -13.783 -6.472 -7.437 694 2HA GLY 90 2HA GLY 90 -14.142 -7.682 -8.677 695 H ILE 91 H ILE 91 -11.255 -8.070 -9.186 696 HA ILE 91 HA ILE 91 -10.464 -10.004 -7.269 697 HB ILE 91 HB ILE 91 -9.862 -9.980 -9.579 698 1HG1 ILE 91 1HG1 ILE 91 -7.519 -9.990 -7.756 699 2HG1 ILE 91 2HG1 ILE 91 -8.509 -11.334 -8.336 700 1HG2 ILE 91 1HG2 ILE 91 -9.608 -7.470 -9.868 701 2HG2 ILE 91 2HG2 ILE 91 -8.007 -7.604 -9.117 702 3HG2 ILE 91 3HG2 ILE 91 -8.369 -8.401 -10.657 703 1HD1 ILE 91 1HD1 ILE 91 -7.742 -10.903 -10.651 704 2HD1 ILE 91 2HD1 ILE 91 -6.636 -9.649 -10.038 705 3HD1 ILE 91 3HD1 ILE 91 -6.413 -11.329 -9.573 706 H THR 92 H THR 92 -10.136 -6.452 -7.366 707 HA THR 92 HA THR 92 -7.798 -6.553 -5.679 708 HB THR 92 HB THR 92 -9.350 -4.169 -6.728 709 HG1 THR 92 1HG THR 92 -7.942 -4.191 -8.359 710 1HG2 THR 92 1HG2 THR 92 -6.453 -4.424 -5.841 711 2HG2 THR 92 2HG2 THR 92 -7.258 -2.938 -6.379 712 3HG2 THR 92 3HG2 THR 92 -7.731 -3.680 -4.853 713 H LEU 93 H LEU 93 -7.822 -6.071 -3.524 714 HA LEU 93 HA LEU 93 -10.499 -6.020 -2.271 715 1HB LEU 93 1HB LEU 93 -7.950 -6.197 -0.701 716 2HB LEU 93 2HB LEU 93 -9.582 -6.716 -0.316 717 HG LEU 93 HG LEU 93 -7.650 -8.053 -2.238 718 1HD1 LEU 93 1HD1 LEU 93 -8.955 -8.894 0.389 719 2HD1 LEU 93 2HD1 LEU 93 -7.935 -9.933 -0.632 720 3HD1 LEU 93 3HD1 LEU 93 -7.242 -8.485 0.131 721 1HD2 LEU 93 1HD2 LEU 93 -9.393 -9.822 -2.517 722 2HD2 LEU 93 2HD2 LEU 93 -10.565 -8.751 -1.723 723 3HD2 LEU 93 3HD2 LEU 93 -9.851 -8.305 -3.272 724 H GLY 94 H GLY 94 -7.376 -4.207 -1.919 725 1HA GLY 94 1HA GLY 94 -8.709 -1.644 -1.623 726 2HA GLY 94 2HA GLY 94 -7.937 -2.203 -0.133 727 H VAL 95 H VAL 95 -6.519 -0.469 -0.322 728 HA VAL 95 HA VAL 95 -4.137 -0.799 -2.081 729 HB VAL 95 HB VAL 95 -5.596 1.701 -1.107 730 1HG1 VAL 95 1HG1 VAL 95 -3.184 2.197 -0.926 731 2HG1 VAL 95 2HG1 VAL 95 -2.921 1.554 -2.569 732 3HG1 VAL 95 3HG1 VAL 95 -3.849 3.043 -2.312 733 1HG2 VAL 95 1HG2 VAL 95 -6.432 0.645 -3.223 734 2HG2 VAL 95 2HG2 VAL 95 -6.083 2.358 -3.185 735 3HG2 VAL 95 3HG2 VAL 95 -4.890 1.273 -3.922 736 H LEU 96 H LEU 96 -2.192 -0.141 -1.035 737 HA LEU 96 HA LEU 96 -2.258 -0.535 1.919 738 1HB LEU 96 1HB LEU 96 -0.205 -1.271 -0.212 739 2HB LEU 96 2HB LEU 96 0.114 -1.280 1.515 740 HG LEU 96 HG LEU 96 -1.984 -2.946 0.160 741 1HD1 LEU 96 1HD1 LEU 96 0.813 -3.601 1.170 742 2HD1 LEU 96 2HD1 LEU 96 -0.366 -4.844 0.723 743 3HD1 LEU 96 3HD1 LEU 96 0.196 -3.688 -0.495 744 1HD2 LEU 96 1HD2 LEU 96 -1.033 -3.076 3.023 745 2HD2 LEU 96 2HD2 LEU 96 -2.636 -2.569 2.473 746 3HD2 LEU 96 3HD2 LEU 96 -2.123 -4.241 2.238 747 H VAL 97 H VAL 97 -0.883 0.703 3.117 748 HA VAL 97 HA VAL 97 0.477 3.053 1.968 749 HB VAL 97 HB VAL 97 -0.867 4.490 3.503 750 1HG1 VAL 97 1HG1 VAL 97 -2.776 4.760 1.960 751 2HG1 VAL 97 2HG1 VAL 97 -1.317 4.367 1.053 752 3HG1 VAL 97 3HG1 VAL 97 -2.569 3.137 1.359 753 1HG2 VAL 97 1HG2 VAL 97 -1.749 2.588 4.992 754 2HG2 VAL 97 2HG2 VAL 97 -2.979 3.732 4.458 755 3HG2 VAL 97 3HG2 VAL 97 -2.838 2.142 3.689 756 HA PRO 98 HA PRO 98 2.882 2.165 5.559 757 1HB PRO 98 1HB PRO 98 3.226 4.905 6.476 758 2HB PRO 98 2HB PRO 98 4.404 3.788 5.734 759 1HG PRO 98 1HG PRO 98 3.108 6.043 4.511 760 2HG PRO 98 2HG PRO 98 4.206 4.866 3.735 761 1HD PRO 98 1HD PRO 98 1.333 5.186 3.457 762 2HD PRO 98 2HD PRO 98 2.427 4.094 2.577 763 H HIS 99 H HIS 99 2.557 1.836 7.738 764 HA HIS 99 HA HIS 99 0.276 3.172 9.110 765 1HB HIS 99 1HB HIS 99 0.099 0.758 9.347 766 2HB HIS 99 2HB HIS 99 1.796 0.609 9.755 767 HD1 HIS 99 1HD HIS 99 2.160 0.306 12.309 768 HD2 HIS 99 2HD HIS 99 -1.069 2.856 11.313 769 HE1 HIS 99 1HE HIS 99 1.153 1.099 14.481 770 H VAL 100 H VAL 100 0.993 4.937 10.132 771 HA VAL 100 HA VAL 100 3.604 4.876 11.529 772 HB VAL 100 HB VAL 100 3.719 7.344 11.048 773 1HG1 VAL 100 1HG1 VAL 100 4.641 7.094 8.826 774 2HG1 VAL 100 2HG1 VAL 100 5.036 5.683 9.794 775 3HG1 VAL 100 3HG1 VAL 100 3.757 5.571 8.575 776 1HG2 VAL 100 1HG2 VAL 100 1.566 6.746 8.959 777 2HG2 VAL 100 2HG2 VAL 100 1.308 7.659 10.466 778 3HG2 VAL 100 3HG2 VAL 100 2.421 8.270 9.225 779 H GLY 101 H GLY 101 1.268 3.904 12.656 780 1HA GLY 101 1HA GLY 101 0.584 3.933 14.790 781 2HA GLY 101 2HA GLY 101 1.498 5.393 15.027 782 H GLU 102 H GLU 102 -0.705 6.047 12.588 783 HA GLU 102 HA GLU 102 -2.104 7.996 13.983 784 1HB GLU 102 1HB GLU 102 -2.574 6.563 11.368 785 2HB GLU 102 2HB GLU 102 -3.755 7.757 11.930 786 1HG GLU 102 1HG GLU 102 -0.789 8.396 11.689 787 2HG GLU 102 2HG GLU 102 -1.920 8.608 10.378 788 H THR 103 H THR 103 -4.556 5.858 12.591 789 HA THR 103 HA THR 103 -5.525 4.897 15.179 790 HB THR 103 HB THR 103 -6.716 7.305 13.765 791 HG1 THR 103 1HG THR 103 -5.103 7.227 15.641 792 1HG2 THR 103 1HG2 THR 103 -8.559 7.137 15.465 793 2HG2 THR 103 2HG2 THR 103 -8.613 5.852 14.242 794 3HG2 THR 103 3HG2 THR 103 -7.956 5.500 15.849 795 HA PRO 104 HA PRO 104 -7.119 2.606 11.577 796 1HB PRO 104 1HB PRO 104 -6.917 0.039 12.534 797 2HB PRO 104 2HB PRO 104 -5.602 0.980 11.772 798 1HG PRO 104 1HG PRO 104 -6.125 0.527 14.717 799 2HG PRO 104 2HG PRO 104 -4.562 0.444 13.854 800 1HD PRO 104 1HD PRO 104 -5.417 2.676 15.259 801 2HD PRO 104 2HD PRO 104 -4.349 2.801 13.853 802 H ILE 105 H ILE 105 -9.125 1.874 11.179 803 HA ILE 105 HA ILE 105 -11.127 1.953 13.363 804 HB ILE 105 HB ILE 105 -12.760 1.963 11.543 805 1HG1 ILE 105 1HG1 ILE 105 -11.052 0.733 9.883 806 2HG1 ILE 105 2HG1 ILE 105 -12.412 1.667 9.342 807 1HG2 ILE 105 1HG2 ILE 105 -12.007 4.060 12.463 808 2HG2 ILE 105 2HG2 ILE 105 -10.660 4.150 11.320 809 3HG2 ILE 105 3HG2 ILE 105 -12.336 4.243 10.737 810 1HD1 ILE 105 1HD1 ILE 105 -9.633 2.875 9.552 811 2HD1 ILE 105 2HD1 ILE 105 -10.265 2.061 8.101 812 3HD1 ILE 105 3HD1 ILE 105 -11.062 3.508 8.715 813 H ALA 106 H ALA 106 -9.314 -0.389 11.593 814 HA ALA 106 HA ALA 106 -10.676 -2.588 12.811 815 1HB ALA 106 1HB ALA 106 -10.892 -2.327 9.757 816 2HB ALA 106 2HB ALA 106 -11.451 -3.697 10.740 817 3HB ALA 106 3HB ALA 106 -12.257 -2.131 10.869 818 H TYR 107 H TYR 107 -9.731 -4.674 11.716 819 HA TYR 107 HA TYR 107 -7.000 -4.308 10.628 820 1HB TYR 107 1HB TYR 107 -7.908 -5.912 13.016 821 2HB TYR 107 2HB TYR 107 -6.658 -6.562 11.996 822 HD1 TYR 107 1HD TYR 107 -7.474 -3.384 13.850 823 HD2 TYR 107 2HD TYR 107 -4.417 -6.024 12.295 824 HE1 TYR 107 1HE TYR 107 -5.716 -2.019 14.944 825 HE2 TYR 107 2HE TYR 107 -2.687 -4.708 13.454 826 HH TYR 107 HH TYR 107 -3.528 -1.875 15.503 827 H ARG 108 H ARG 108 -6.549 -5.712 8.986 828 HA ARG 108 HA ARG 108 -8.721 -7.548 8.047 829 1HB ARG 108 1HB ARG 108 -8.160 -5.383 6.679 830 2HB ARG 108 2HB ARG 108 -6.650 -6.199 6.293 831 1HG ARG 108 1HG ARG 108 -8.025 -6.749 4.481 832 2HG ARG 108 2HG ARG 108 -8.195 -8.184 5.493 833 1HD ARG 108 1HD ARG 108 -10.292 -7.178 6.467 834 2HD ARG 108 2HD ARG 108 -10.076 -5.797 5.376 835 HE ARG 108 HE ARG 108 -10.183 -8.461 4.138 836 1HH1 ARG 108 2HH2 ARG 108 -11.922 -5.415 4.847 837 2HH1 ARG 108 1HH2 ARG 108 -13.272 -5.803 3.846 838 1HH2 ARG 108 2HH1 ARG 108 -11.959 -8.910 2.753 839 2HH2 ARG 108 1HH1 ARG 108 -13.244 -7.770 2.537 840 H ASN 109 H ASN 109 -7.909 -9.649 7.273 841 HA ASN 109 HA ASN 109 -4.968 -10.033 7.484 842 1HB ASN 109 1HB ASN 109 -7.093 -12.041 8.217 843 2HB ASN 109 2HB ASN 109 -5.372 -12.340 8.167 844 1HD2 ASN 109 1HD2 ASN 109 -4.765 -12.712 10.347 845 2HD2 ASN 109 2HD2 ASN 109 -5.315 -11.668 11.653 846 H VAL 110 H VAL 110 -4.122 -11.279 5.862 847 HA VAL 110 HA VAL 110 -5.835 -12.389 3.743 848 HB VAL 110 HB VAL 110 -4.414 -11.298 2.056 849 1HG1 VAL 110 1HG1 VAL 110 -5.894 -9.239 3.738 850 2HG1 VAL 110 2HG1 VAL 110 -5.495 -9.122 2.017 851 3HG1 VAL 110 3HG1 VAL 110 -6.635 -10.354 2.570 852 1HG2 VAL 110 1HG2 VAL 110 -2.430 -10.686 3.413 853 2HG2 VAL 110 2HG2 VAL 110 -3.090 -9.257 2.614 854 3HG2 VAL 110 3HG2 VAL 110 -3.399 -9.513 4.332 855 H LEU 111 H LEU 111 -4.313 -13.823 2.310 856 HA LEU 111 HA LEU 111 -1.851 -14.643 3.780 857 1HB LEU 111 1HB LEU 111 -3.928 -15.963 2.094 858 2HB LEU 111 2HB LEU 111 -2.277 -16.432 1.680 859 HG LEU 111 HG LEU 111 -3.532 -17.933 3.091 860 1HD1 LEU 111 1HD1 LEU 111 -1.619 -17.544 5.175 861 2HD1 LEU 111 2HD1 LEU 111 -1.528 -18.651 3.802 862 3HD1 LEU 111 3HD1 LEU 111 -0.865 -17.017 3.656 863 1HD2 LEU 111 1HD2 LEU 111 -3.523 -15.725 5.125 864 2HD2 LEU 111 2HD2 LEU 111 -4.909 -16.464 4.334 865 3HD2 LEU 111 3HD2 LEU 111 -3.942 -17.405 5.495 866 H LEU 112 H LEU 112 0.022 -14.879 2.384 867 HA LEU 112 HA LEU 112 0.037 -13.149 -0.034 868 1HB LEU 112 1HB LEU 112 0.685 -12.005 2.095 869 2HB LEU 112 2HB LEU 112 1.903 -13.179 2.387 870 HG LEU 112 HG LEU 112 2.413 -10.802 1.336 871 1HD1 LEU 112 1HD1 LEU 112 4.120 -12.367 1.980 872 2HD1 LEU 112 2HD1 LEU 112 3.857 -13.326 0.513 873 3HD1 LEU 112 3HD1 LEU 112 4.510 -11.676 0.399 874 1HD2 LEU 112 1HD2 LEU 112 2.245 -12.308 -1.279 875 2HD2 LEU 112 2HD2 LEU 112 0.978 -11.181 -0.703 876 3HD2 LEU 112 3HD2 LEU 112 2.633 -10.651 -0.982 877 H ARG 113 H ARG 113 1.238 -13.983 -1.709 878 HA ARG 113 HA ARG 113 2.063 -16.628 -1.859 879 1HB ARG 113 1HB ARG 113 2.244 -14.210 -3.503 880 2HB ARG 113 2HB ARG 113 3.702 -15.181 -3.672 881 1HG ARG 113 1HG ARG 113 2.384 -17.178 -4.165 882 2HG ARG 113 2HG ARG 113 0.881 -16.268 -3.956 883 1HD ARG 113 1HD ARG 113 1.193 -15.005 -5.912 884 2HD ARG 113 2HD ARG 113 2.930 -15.308 -5.934 885 HE ARG 113 HE ARG 113 0.870 -17.422 -6.394 886 1HH1 ARG 113 2HH2 ARG 113 3.725 -15.723 -7.693 887 2HH1 ARG 113 1HH2 ARG 113 4.190 -17.063 -8.695 888 1HH2 ARG 113 2HH1 ARG 113 1.791 -19.331 -7.546 889 2HH2 ARG 113 1HH1 ARG 113 3.239 -19.094 -8.440 890 H LYS 114 H LYS 114 3.517 -17.668 -0.811 891 HA LYS 114 HA LYS 114 6.282 -16.631 -0.652 892 1HB LYS 114 1HB LYS 114 4.749 -18.038 1.437 893 2HB LYS 114 2HB LYS 114 6.037 -19.086 0.868 894 1HG LYS 114 1HG LYS 114 7.719 -17.381 1.301 895 2HG LYS 114 2HG LYS 114 6.458 -16.212 1.753 896 1HD LYS 114 1HD LYS 114 5.826 -17.999 3.563 897 2HD LYS 114 2HD LYS 114 7.427 -18.657 3.265 898 1HE LYS 114 1HE LYS 114 6.768 -15.791 4.124 899 2HE LYS 114 2HE LYS 114 7.342 -17.077 5.194 900 1HZ LYS 114 1HZ LYS 114 9.393 -17.126 3.960 901 2HZ LYS 114 2HZ LYS 114 8.885 -15.920 2.947 902 3HZ LYS 114 3HZ LYS 114 9.113 -15.613 4.548 903 H ASN 115 H ASN 115 7.738 -18.616 -1.015 904 HA ASN 115 HA ASN 115 6.455 -20.598 -2.855 905 1HB ASN 115 1HB ASN 115 9.455 -20.250 -2.382 906 2HB ASN 115 2HB ASN 115 8.629 -21.300 -3.544 907 1HD2 ASN 115 1HD2 ASN 115 7.164 -20.056 -5.231 908 2HD2 ASN 115 2HD2 ASN 115 7.709 -18.471 -5.688 909 H GLY 116 H GLY 116 9.248 -21.083 -0.738 910 1HA GLY 116 1HA GLY 116 7.612 -21.292 1.650 911 2HA GLY 116 2HA GLY 116 8.646 -22.707 1.300 Start of MODEL 3 1 1H GLY 1 H GLY 1 -0.540 -23.405 2.242 2 1HA GLY 1 1HA GLY 1 2.299 -22.778 1.634 3 2HA GLY 1 2HA GLY 1 1.048 -23.064 0.401 4 H HIS 2 H HIS 2 2.444 -20.692 0.339 5 HA HIS 2 HA HIS 2 2.415 -18.443 0.367 6 1HB HIS 2 1HB HIS 2 -0.539 -18.627 1.210 7 2HB HIS 2 2HB HIS 2 0.312 -17.202 0.781 8 HD1 HIS 2 1HD HIS 2 -0.444 -20.611 -1.145 9 HD2 HIS 2 2HD HIS 2 -0.124 -16.429 -1.504 10 HE1 HIS 2 1HE HIS 2 -0.959 -20.075 -3.531 11 H VAL 3 H VAL 3 2.205 -16.534 1.889 12 HA VAL 3 HA VAL 3 2.760 -17.211 4.755 13 HB VAL 3 HB VAL 3 3.605 -14.957 2.916 14 1HG1 VAL 3 1HG1 VAL 3 3.219 -13.806 4.908 15 2HG1 VAL 3 2HG1 VAL 3 3.998 -15.068 5.909 16 3HG1 VAL 3 3HG1 VAL 3 4.953 -14.036 4.820 17 1HG2 VAL 3 1HG2 VAL 3 4.964 -17.011 2.724 18 2HG2 VAL 3 2HG2 VAL 3 5.897 -15.670 3.410 19 3HG2 VAL 3 3HG2 VAL 3 5.289 -16.962 4.473 20 H GLN 4 H GLN 4 1.543 -16.040 6.216 21 HA GLN 4 HA GLN 4 -0.826 -14.553 5.205 22 1HB GLN 4 1HB GLN 4 -0.503 -16.285 7.406 23 2HB GLN 4 2HB GLN 4 -0.489 -14.692 8.143 24 1HG GLN 4 1HG GLN 4 -2.609 -14.152 6.940 25 2HG GLN 4 2HG GLN 4 -2.550 -15.756 6.189 26 1HE2 GLN 4 1HE2 GLN 4 -3.085 -14.043 9.284 27 2HE2 GLN 4 2HE2 GLN 4 -3.748 -15.429 10.112 28 H LEU 5 H LEU 5 -1.115 -12.364 5.613 29 HA LEU 5 HA LEU 5 0.785 -11.041 7.373 30 1HB LEU 5 1HB LEU 5 0.176 -10.094 4.546 31 2HB LEU 5 2HB LEU 5 0.944 -9.090 5.765 32 HG LEU 5 HG LEU 5 2.132 -11.676 4.631 33 1HD1 LEU 5 1HD1 LEU 5 1.991 -9.803 3.008 34 2HD1 LEU 5 2HD1 LEU 5 2.856 -8.753 4.153 35 3HD1 LEU 5 3HD1 LEU 5 3.673 -10.168 3.460 36 1HD2 LEU 5 1HD2 LEU 5 4.226 -10.951 5.721 37 2HD2 LEU 5 2HD2 LEU 5 3.399 -9.560 6.451 38 3HD2 LEU 5 3HD2 LEU 5 2.972 -11.206 6.928 39 H SER 6 H SER 6 -0.268 -9.452 8.620 40 HA SER 6 HA SER 6 -3.045 -8.819 7.840 41 1HB SER 6 1HB SER 6 -2.117 -8.980 10.709 42 2HB SER 6 2HB SER 6 -3.713 -9.115 10.031 43 HG SER 6 HG SER 6 -2.995 -11.136 10.658 44 H LEU 7 H LEU 7 -3.842 -6.725 8.543 45 HA LEU 7 HA LEU 7 -1.719 -4.709 8.971 46 1HB LEU 7 1HB LEU 7 -3.652 -4.780 6.617 47 2HB LEU 7 2HB LEU 7 -2.665 -3.387 7.037 48 HG LEU 7 HG LEU 7 -1.547 -6.110 6.241 49 1HD1 LEU 7 1HD1 LEU 7 -1.766 -3.534 4.639 50 2HD1 LEU 7 2HD1 LEU 7 -0.984 -5.041 4.115 51 3HD1 LEU 7 3HD1 LEU 7 -2.729 -5.008 4.389 52 1HD2 LEU 7 1HD2 LEU 7 0.597 -5.055 6.150 53 2HD2 LEU 7 2HD2 LEU 7 -0.090 -3.441 6.456 54 3HD2 LEU 7 3HD2 LEU 7 -0.029 -4.669 7.727 55 HA PRO 8 HA PRO 8 -5.165 -2.727 11.122 56 1HB PRO 8 1HB PRO 8 -4.084 -0.257 11.452 57 2HB PRO 8 2HB PRO 8 -3.450 -1.660 12.318 58 1HG PRO 8 1HG PRO 8 -2.380 -0.400 9.790 59 2HG PRO 8 2HG PRO 8 -1.488 -0.826 11.291 60 1HD PRO 8 1HD PRO 8 -1.592 -2.541 9.160 61 2HD PRO 8 2HD PRO 8 -1.610 -3.102 10.843 62 H VAL 9 H VAL 9 -7.003 -1.880 10.165 63 HA VAL 9 HA VAL 9 -6.817 -0.699 7.467 64 HB VAL 9 HB VAL 9 -9.372 -1.261 9.006 65 1HG1 VAL 9 1HG1 VAL 9 -10.368 -1.088 6.744 66 2HG1 VAL 9 2HG1 VAL 9 -9.530 0.403 7.187 67 3HG1 VAL 9 3HG1 VAL 9 -8.762 -0.733 6.063 68 1HG2 VAL 9 1HG2 VAL 9 -7.873 -3.002 7.002 69 2HG2 VAL 9 2HG2 VAL 9 -8.313 -3.415 8.671 70 3HG2 VAL 9 3HG2 VAL 9 -9.579 -3.240 7.447 71 H LEU 10 H LEU 10 -6.390 1.343 7.492 72 HA LEU 10 HA LEU 10 -7.048 3.118 9.790 73 1HB LEU 10 1HB LEU 10 -5.177 3.441 7.406 74 2HB LEU 10 2HB LEU 10 -5.399 4.631 8.691 75 HG LEU 10 HG LEU 10 -4.399 1.818 9.301 76 1HD1 LEU 10 1HD1 LEU 10 -2.562 4.189 8.846 77 2HD1 LEU 10 2HD1 LEU 10 -2.138 2.511 9.194 78 3HD1 LEU 10 3HD1 LEU 10 -2.857 2.926 7.632 79 1HD2 LEU 10 1HD2 LEU 10 -4.080 4.476 10.756 80 2HD2 LEU 10 2HD2 LEU 10 -5.237 3.230 11.169 81 3HD2 LEU 10 3HD2 LEU 10 -3.511 2.884 11.325 82 H GLN 11 H GLN 11 -7.773 5.344 9.001 83 HA GLN 11 HA GLN 11 -9.549 5.222 6.600 84 1HB GLN 11 1HB GLN 11 -9.267 7.132 8.942 85 2HB GLN 11 2HB GLN 11 -10.166 7.562 7.508 86 1HG GLN 11 1HG GLN 11 -10.931 4.959 8.479 87 2HG GLN 11 2HG GLN 11 -10.915 6.062 9.849 88 1HE2 GLN 11 1HE2 GLN 11 -12.889 4.685 8.242 89 2HE2 GLN 11 2HE2 GLN 11 -14.138 5.811 7.678 90 H VAL 12 H VAL 12 -9.207 6.653 4.853 91 HA VAL 12 HA VAL 12 -6.536 7.470 4.250 92 HB VAL 12 HB VAL 12 -8.249 6.995 2.605 93 1HG1 VAL 12 1HG1 VAL 12 -10.269 7.938 3.591 94 2HG1 VAL 12 2HG1 VAL 12 -9.626 9.590 3.423 95 3HG1 VAL 12 3HG1 VAL 12 -9.999 8.614 1.994 96 1HG2 VAL 12 1HG2 VAL 12 -7.342 9.886 2.311 97 2HG2 VAL 12 2HG2 VAL 12 -6.313 8.459 2.042 98 3HG2 VAL 12 3HG2 VAL 12 -7.740 8.728 1.024 99 H ARG 13 H ARG 13 -9.023 8.878 6.247 100 HA ARG 13 HA ARG 13 -8.200 11.644 6.051 101 1HB ARG 13 1HB ARG 13 -10.057 10.229 8.040 102 2HB ARG 13 2HB ARG 13 -9.938 11.977 7.772 103 1HG ARG 13 1HG ARG 13 -10.607 11.552 5.348 104 2HG ARG 13 2HG ARG 13 -10.912 9.866 5.799 105 1HD ARG 13 1HD ARG 13 -12.558 10.637 7.502 106 2HD ARG 13 2HD ARG 13 -12.313 12.307 6.910 107 HE ARG 13 HE ARG 13 -12.800 10.830 4.636 108 1HH1 ARG 13 2HH2 ARG 13 -14.649 11.753 7.492 109 2HH1 ARG 13 1HH2 ARG 13 -16.188 11.537 6.716 110 1HH2 ARG 13 2HH1 ARG 13 -14.814 10.473 3.648 111 2HH2 ARG 13 1HH1 ARG 13 -16.279 10.784 4.509 112 H ASP 14 H ASP 14 -7.151 8.917 7.863 113 HA ASP 14 HA ASP 14 -5.975 10.542 10.041 114 1HB ASP 14 1HB ASP 14 -6.569 7.599 9.578 115 2HB ASP 14 2HB ASP 14 -5.392 8.108 10.773 116 H VAL 15 H VAL 15 -5.291 8.491 7.306 117 HA VAL 15 HA VAL 15 -2.476 8.272 7.647 118 HB VAL 15 HB VAL 15 -4.103 7.621 5.177 119 1HG1 VAL 15 1HG1 VAL 15 -2.226 6.109 4.684 120 2HG1 VAL 15 2HG1 VAL 15 -1.588 7.746 4.882 121 3HG1 VAL 15 3HG1 VAL 15 -1.404 6.584 6.191 122 1HG2 VAL 15 1HG2 VAL 15 -4.220 5.345 5.994 123 2HG2 VAL 15 2HG2 VAL 15 -3.148 5.723 7.366 124 3HG2 VAL 15 3HG2 VAL 15 -4.776 6.345 7.339 125 H LEU 16 H LEU 16 -2.291 10.494 8.128 126 HA LEU 16 HA LEU 16 -2.335 12.639 6.336 127 1HB LEU 16 1HB LEU 16 -0.597 11.968 8.718 128 2HB LEU 16 2HB LEU 16 -0.418 13.458 7.824 129 HG LEU 16 HG LEU 16 -2.782 12.526 9.482 130 1HD1 LEU 16 1HD1 LEU 16 -2.326 14.564 10.734 131 2HD1 LEU 16 2HD1 LEU 16 -0.843 13.631 10.591 132 3HD1 LEU 16 3HD1 LEU 16 -1.058 15.048 9.565 133 1HD2 LEU 16 1HD2 LEU 16 -3.920 14.684 8.862 134 2HD2 LEU 16 2HD2 LEU 16 -2.738 14.869 7.538 135 3HD2 LEU 16 3HD2 LEU 16 -3.873 13.496 7.574 136 H VAL 17 H VAL 17 -0.269 9.905 5.858 137 HA VAL 17 HA VAL 17 0.349 11.277 3.439 138 HB VAL 17 HB VAL 17 2.398 11.968 4.283 139 1HG1 VAL 17 1HG1 VAL 17 4.021 10.450 5.436 140 2HG1 VAL 17 2HG1 VAL 17 2.587 10.877 6.384 141 3HG1 VAL 17 3HG1 VAL 17 2.727 9.262 5.630 142 1HG2 VAL 17 1HG2 VAL 17 3.161 9.306 3.033 143 2HG2 VAL 17 2HG2 VAL 17 2.607 10.730 2.104 144 3HG2 VAL 17 3HG2 VAL 17 4.091 10.807 3.054 145 H ARG 18 H ARG 18 -0.529 9.988 2.026 146 HA ARG 18 HA ARG 18 -0.700 7.111 2.565 147 1HB ARG 18 1HB ARG 18 -1.904 8.594 0.256 148 2HB ARG 18 2HB ARG 18 -2.274 6.998 0.955 149 1HG ARG 18 1HG ARG 18 -3.963 8.083 1.930 150 2HG ARG 18 2HG ARG 18 -2.779 8.454 3.144 151 1HD ARG 18 1HD ARG 18 -2.379 10.611 1.949 152 2HD ARG 18 2HD ARG 18 -3.594 10.188 0.789 153 HE ARG 18 HE ARG 18 -4.408 10.164 3.602 154 1HH1 ARG 18 2HH2 ARG 18 -4.124 12.335 0.750 155 2HH1 ARG 18 1HH2 ARG 18 -5.206 13.484 1.451 156 1HH2 ARG 18 2HH1 ARG 18 -6.043 11.593 4.251 157 2HH2 ARG 18 1HH1 ARG 18 -6.309 13.097 3.370 158 H GLY 19 H GLY 19 1.849 8.746 1.565 159 1HA GLY 19 1HA GLY 19 2.295 7.510 -1.069 160 2HA GLY 19 2HA GLY 19 3.125 8.906 -0.361 161 H PHE 20 H PHE 20 3.299 5.569 -0.855 162 HA PHE 20 HA PHE 20 5.467 5.115 1.096 163 1HB PHE 20 1HB PHE 20 4.303 3.594 -1.264 164 2HB PHE 20 2HB PHE 20 5.835 3.149 -0.583 165 HD1 PHE 20 1HD PHE 20 5.817 3.074 2.166 166 HD2 PHE 20 2HD PHE 20 2.612 2.101 -0.581 167 HE1 PHE 20 1HE PHE 20 4.698 1.698 3.901 168 HE2 PHE 20 2HE PHE 20 1.634 0.608 1.086 169 HZ PHE 20 HZ PHE 20 2.666 0.400 3.342 170 H GLY 21 H GLY 21 5.105 6.882 -1.848 171 1HA GLY 21 1HA GLY 21 7.907 6.906 -2.577 172 2HA GLY 21 2HA GLY 21 6.939 5.809 -3.578 173 H ASP 22 H ASP 22 6.966 7.031 -5.434 174 HA ASP 22 HA ASP 22 5.270 9.401 -5.669 175 1HB ASP 22 1HB ASP 22 7.050 10.734 -6.785 176 2HB ASP 22 2HB ASP 22 7.315 10.523 -5.066 177 H SER 23 H SER 23 7.561 7.110 -7.096 178 HA SER 23 HA SER 23 5.894 6.900 -9.548 179 1HB SER 23 1HB SER 23 8.805 6.220 -9.109 180 2HB SER 23 2HB SER 23 7.862 5.776 -10.537 181 HG SER 23 HG SER 23 9.038 7.720 -10.758 182 H VAL 24 H VAL 24 5.579 4.670 -10.284 183 HA VAL 24 HA VAL 24 4.283 3.162 -8.334 184 HB VAL 24 HB VAL 24 5.130 2.204 -11.105 185 1HG1 VAL 24 1HG1 VAL 24 3.331 0.668 -10.923 186 2HG1 VAL 24 2HG1 VAL 24 4.488 0.340 -9.631 187 3HG1 VAL 24 3HG1 VAL 24 2.983 1.236 -9.274 188 1HG2 VAL 24 1HG2 VAL 24 3.850 4.253 -11.138 189 2HG2 VAL 24 2HG2 VAL 24 2.913 2.863 -11.720 190 3HG2 VAL 24 3HG2 VAL 24 2.638 3.502 -10.068 191 H GLU 25 H GLU 25 7.445 2.375 -9.844 192 HA GLU 25 HA GLU 25 7.489 -0.015 -8.371 193 1HB GLU 25 1HB GLU 25 9.454 1.544 -9.996 194 2HB GLU 25 2HB GLU 25 10.150 0.303 -8.914 195 1HG GLU 25 1HG GLU 25 8.462 -1.334 -9.918 196 2HG GLU 25 2HG GLU 25 8.189 -0.121 -11.185 197 H GLU 26 H GLU 26 8.587 3.209 -7.604 198 HA GLU 26 HA GLU 26 10.284 2.768 -5.361 199 1HB GLU 26 1HB GLU 26 8.305 5.073 -5.708 200 2HB GLU 26 2HB GLU 26 9.709 5.029 -4.669 201 1HG GLU 26 1HG GLU 26 9.651 5.024 -7.685 202 2HG GLU 26 2HG GLU 26 10.256 6.280 -6.620 203 H ALA 27 H ALA 27 6.793 3.530 -5.482 204 HA ALA 27 HA ALA 27 6.325 3.068 -2.708 205 1HB ALA 27 1HB ALA 27 4.811 4.403 -4.168 206 2HB ALA 27 2HB ALA 27 4.416 2.935 -5.093 207 3HB ALA 27 3HB ALA 27 3.905 3.077 -3.410 208 H LEU 28 H LEU 28 5.988 0.826 -5.524 209 HA LEU 28 HA LEU 28 4.909 -1.338 -4.082 210 1HB LEU 28 1HB LEU 28 5.605 -0.849 -6.682 211 2HB LEU 28 2HB LEU 28 6.903 -1.942 -6.250 212 HG LEU 28 HG LEU 28 3.922 -2.448 -5.921 213 1HD1 LEU 28 1HD1 LEU 28 4.132 -3.976 -7.844 214 2HD1 LEU 28 2HD1 LEU 28 4.617 -2.332 -8.298 215 3HD1 LEU 28 3HD1 LEU 28 5.856 -3.557 -7.990 216 1HD2 LEU 28 1HD2 LEU 28 5.054 -3.821 -4.315 217 2HD2 LEU 28 2HD2 LEU 28 4.622 -4.869 -5.673 218 3HD2 LEU 28 3HD2 LEU 28 6.295 -4.296 -5.495 219 H SER 29 H SER 29 8.317 -0.291 -4.437 220 HA SER 29 HA SER 29 9.481 -2.627 -3.200 221 1HB SER 29 1HB SER 29 10.601 0.201 -3.436 222 2HB SER 29 2HB SER 29 11.505 -1.305 -3.157 223 HG SER 29 HG SER 29 10.219 -0.391 -5.491 224 H GLU 30 H GLU 30 8.754 0.717 -2.009 225 HA GLU 30 HA GLU 30 9.644 0.215 0.654 226 1HB GLU 30 1HB GLU 30 7.635 2.164 -0.490 227 2HB GLU 30 2HB GLU 30 8.353 2.335 1.073 228 1HG GLU 30 1HG GLU 30 9.320 3.002 -1.589 229 2HG GLU 30 2HG GLU 30 9.552 3.829 -0.120 230 H ALA 31 H ALA 31 6.422 -0.007 -0.885 231 HA ALA 31 HA ALA 31 4.796 -0.607 1.291 232 1HB ALA 31 1HB ALA 31 3.563 -2.045 -0.428 233 2HB ALA 31 2HB ALA 31 3.853 -0.358 -0.864 234 3HB ALA 31 3HB ALA 31 4.851 -1.657 -1.564 235 H ARG 32 H ARG 32 6.664 -2.879 -0.700 236 HA ARG 32 HA ARG 32 6.205 -5.230 0.833 237 1HB ARG 32 1HB ARG 32 7.111 -4.935 -1.546 238 2HB ARG 32 2HB ARG 32 8.621 -4.406 -0.812 239 1HG ARG 32 1HG ARG 32 8.625 -6.745 0.369 240 2HG ARG 32 2HG ARG 32 7.368 -7.144 -0.844 241 1HD ARG 32 1HD ARG 32 8.977 -6.180 -2.588 242 2HD ARG 32 2HD ARG 32 10.174 -6.084 -1.289 243 HE ARG 32 HE ARG 32 8.974 -8.708 -1.750 244 1HH1 ARG 32 2HH2 ARG 32 11.602 -6.455 -2.546 245 2HH1 ARG 32 1HH2 ARG 32 12.727 -7.636 -3.069 246 1HH2 ARG 32 2HH1 ARG 32 10.308 -10.291 -2.750 247 2HH2 ARG 32 1HH1 ARG 32 11.860 -9.891 -3.426 248 H GLU 33 H GLU 33 8.647 -2.602 1.347 249 HA GLU 33 HA GLU 33 10.022 -4.203 3.271 250 1HB GLU 33 1HB GLU 33 11.483 -2.649 2.447 251 2HB GLU 33 2HB GLU 33 10.222 -1.530 2.002 252 1HG GLU 33 1HG GLU 33 10.237 -0.364 3.863 253 2HG GLU 33 2HG GLU 33 10.739 -1.691 4.914 254 H HIS 34 H HIS 34 7.534 -1.614 3.373 255 HA HIS 34 HA HIS 34 7.530 -1.402 6.236 256 1HB HIS 34 1HB HIS 34 5.575 -0.532 4.083 257 2HB HIS 34 2HB HIS 34 5.358 -0.198 5.804 258 HD1 HIS 34 1HD HIS 34 8.337 0.414 3.361 259 HD2 HIS 34 2HD HIS 34 5.959 2.286 6.264 260 HE1 HIS 34 1HE HIS 34 9.288 2.756 3.668 261 H LEU 35 H LEU 35 5.837 -3.496 3.919 262 HA LEU 35 HA LEU 35 4.096 -4.763 5.837 263 1HB LEU 35 1HB LEU 35 5.457 -5.779 3.295 264 2HB LEU 35 2HB LEU 35 4.419 -6.798 4.236 265 HG LEU 35 HG LEU 35 3.598 -4.289 2.767 266 1HD1 LEU 35 1HD1 LEU 35 2.971 -7.232 2.312 267 2HD1 LEU 35 2HD1 LEU 35 2.279 -5.872 1.406 268 3HD1 LEU 35 3HD1 LEU 35 4.017 -6.202 1.320 269 1HD2 LEU 35 1HD2 LEU 35 2.248 -4.463 4.761 270 2HD2 LEU 35 2HD2 LEU 35 1.289 -4.845 3.344 271 3HD2 LEU 35 3HD2 LEU 35 1.874 -6.162 4.417 272 H LYS 36 H LYS 36 7.455 -5.393 4.821 273 HA LYS 36 HA LYS 36 7.778 -7.838 6.224 274 1HB LYS 36 1HB LYS 36 9.045 -6.836 4.269 275 2HB LYS 36 2HB LYS 36 9.936 -5.884 5.465 276 1HG LYS 36 1HG LYS 36 10.904 -7.885 6.415 277 2HG LYS 36 2HG LYS 36 9.715 -8.907 5.573 278 1HD LYS 36 1HD LYS 36 11.898 -9.017 4.412 279 2HD LYS 36 2HD LYS 36 10.650 -8.268 3.394 280 1HE LYS 36 1HE LYS 36 11.503 -6.010 4.362 281 2HE LYS 36 2HE LYS 36 12.886 -6.906 4.953 282 1HZ LYS 36 1HZ LYS 36 12.076 -6.528 2.136 283 2HZ LYS 36 2HZ LYS 36 13.344 -5.866 2.908 284 3HZ LYS 36 3HZ LYS 36 13.325 -7.503 2.597 285 H ASN 37 H ASN 37 8.391 -4.470 7.085 286 HA ASN 37 HA ASN 37 9.434 -5.010 9.761 287 1HB ASN 37 1HB ASN 37 8.153 -2.485 8.600 288 2HB ASN 37 2HB ASN 37 9.048 -2.586 10.113 289 1HD2 ASN 37 1HD2 ASN 37 9.455 -1.172 7.326 290 2HD2 ASN 37 2HD2 ASN 37 11.138 -1.417 7.109 291 H GLY 38 H GLY 38 6.336 -3.940 8.395 292 1HA GLY 38 1HA GLY 38 4.206 -4.742 9.361 293 2HA GLY 38 2HA GLY 38 4.912 -4.527 10.962 294 H THR 39 H THR 39 5.970 -1.976 8.953 295 HA THR 39 HA THR 39 4.219 -0.055 10.391 296 HB THR 39 HB THR 39 5.970 1.561 9.404 297 HG1 THR 39 1HG THR 39 7.680 0.780 8.420 298 1HG2 THR 39 1HG2 THR 39 7.014 -0.639 11.252 299 2HG2 THR 39 2HG2 THR 39 7.603 1.035 11.137 300 3HG2 THR 39 3HG2 THR 39 5.985 0.728 11.759 301 H CYS 40 H CYS 40 2.822 -1.532 8.645 302 HA CYS 40 HA CYS 40 2.159 0.364 6.465 303 1HB CYS 40 1HB CYS 40 3.428 -1.361 5.432 304 2HB CYS 40 2HB CYS 40 2.544 -2.643 6.288 305 HG CYS 40 HG CYS 40 0.151 -1.391 5.109 306 H GLY 41 H GLY 41 -0.043 0.478 6.075 307 1HA GLY 41 1HA GLY 41 -1.837 -1.208 7.617 308 2HA GLY 41 2HA GLY 41 -2.135 0.505 7.586 309 H LEU 42 H LEU 42 -4.198 -0.546 6.626 310 HA LEU 42 HA LEU 42 -4.065 -0.754 3.647 311 1HB LEU 42 1HB LEU 42 -4.551 -2.984 4.700 312 2HB LEU 42 2HB LEU 42 -5.854 -2.250 5.632 313 HG LEU 42 HG LEU 42 -7.014 -1.711 3.427 314 1HD1 LEU 42 1HD1 LEU 42 -6.338 -3.058 1.445 315 2HD1 LEU 42 2HD1 LEU 42 -5.082 -1.897 1.892 316 3HD1 LEU 42 3HD1 LEU 42 -4.918 -3.609 2.329 317 1HD2 LEU 42 1HD2 LEU 42 -7.782 -3.590 4.731 318 2HD2 LEU 42 2HD2 LEU 42 -7.838 -3.962 3.017 319 3HD2 LEU 42 3HD2 LEU 42 -6.514 -4.637 4.026 320 H VAL 43 H VAL 43 -5.737 0.404 2.600 321 HA VAL 43 HA VAL 43 -7.857 1.590 4.282 322 HB VAL 43 HB VAL 43 -6.033 2.919 2.275 323 1HG1 VAL 43 1HG1 VAL 43 -8.185 3.287 1.237 324 2HG1 VAL 43 2HG1 VAL 43 -8.886 3.841 2.775 325 3HG1 VAL 43 3HG1 VAL 43 -7.614 4.787 1.978 326 1HG2 VAL 43 1HG2 VAL 43 -7.303 3.714 4.919 327 2HG2 VAL 43 2HG2 VAL 43 -5.614 3.243 4.667 328 3HG2 VAL 43 3HG2 VAL 43 -6.250 4.764 4.019 329 H GLU 44 H GLU 44 -9.905 1.624 3.229 330 HA GLU 44 HA GLU 44 -10.292 -0.556 1.300 331 1HB GLU 44 1HB GLU 44 -12.106 1.321 2.838 332 2HB GLU 44 2HB GLU 44 -12.724 0.554 1.361 333 1HG GLU 44 1HG GLU 44 -11.897 -1.663 2.314 334 2HG GLU 44 2HG GLU 44 -11.739 -0.848 3.873 335 H LEU 45 H LEU 45 -11.199 -0.472 -0.651 336 HA LEU 45 HA LEU 45 -10.420 1.852 -2.263 337 1HB LEU 45 1HB LEU 45 -11.006 -0.990 -2.750 338 2HB LEU 45 2HB LEU 45 -11.726 0.043 -3.968 339 HG LEU 45 HG LEU 45 -8.828 0.259 -3.083 340 1HD1 LEU 45 1HD1 LEU 45 -8.276 -0.880 -5.188 341 2HD1 LEU 45 2HD1 LEU 45 -9.234 -1.909 -4.108 342 3HD1 LEU 45 3HD1 LEU 45 -10.004 -1.152 -5.521 343 1HD2 LEU 45 1HD2 LEU 45 -9.640 2.348 -4.169 344 2HD2 LEU 45 2HD2 LEU 45 -8.573 1.499 -5.267 345 3HD2 LEU 45 3HD2 LEU 45 -10.324 1.415 -5.512 346 H GLU 46 H GLU 46 -11.634 3.392 -1.350 347 HA GLU 46 HA GLU 46 -14.514 3.439 -1.618 348 1HB GLU 46 1HB GLU 46 -12.545 5.690 -1.251 349 2HB GLU 46 2HB GLU 46 -14.274 5.807 -0.987 350 1HG GLU 46 1HG GLU 46 -12.725 3.788 0.674 351 2HG GLU 46 2HG GLU 46 -12.571 5.493 1.032 352 H LYS 47 H LYS 47 -15.584 5.277 -2.972 353 HA LYS 47 HA LYS 47 -14.523 5.397 -5.674 354 1HB LYS 47 1HB LYS 47 -16.970 5.504 -4.878 355 2HB LYS 47 2HB LYS 47 -16.660 7.162 -4.418 356 1HG LYS 47 1HG LYS 47 -17.014 7.860 -6.535 357 2HG LYS 47 2HG LYS 47 -15.736 6.807 -7.159 358 1HD LYS 47 1HD LYS 47 -18.596 5.939 -6.589 359 2HD LYS 47 2HD LYS 47 -17.959 6.326 -8.188 360 1HE LYS 47 1HE LYS 47 -16.678 4.426 -8.354 361 2HE LYS 47 2HE LYS 47 -16.420 4.301 -6.615 362 1HZ LYS 47 1HZ LYS 47 -17.833 2.578 -7.319 363 2HZ LYS 47 2HZ LYS 47 -18.629 3.536 -6.319 364 3HZ LYS 47 3HZ LYS 47 -18.977 3.656 -7.937 365 H GLY 48 H GLY 48 -13.981 7.261 -2.774 366 1HA GLY 48 1HA GLY 48 -12.611 9.410 -4.333 367 2HA GLY 48 2HA GLY 48 -13.654 9.728 -2.950 368 H VAL 49 H VAL 49 -10.967 7.273 -3.558 369 HA VAL 49 HA VAL 49 -9.523 8.378 -1.202 370 HB VAL 49 HB VAL 49 -10.121 5.649 -2.288 371 1HG1 VAL 49 1HG1 VAL 49 -8.239 4.575 -1.143 372 2HG1 VAL 49 2HG1 VAL 49 -7.686 5.550 -2.500 373 3HG1 VAL 49 3HG1 VAL 49 -7.504 6.148 -0.835 374 1HG2 VAL 49 1HG2 VAL 49 -9.407 6.541 0.557 375 2HG2 VAL 49 2HG2 VAL 49 -11.023 6.749 -0.097 376 3HG2 VAL 49 3HG2 VAL 49 -10.336 5.111 0.076 377 H LEU 50 H LEU 50 -9.302 6.900 -4.466 378 HA LEU 50 HA LEU 50 -6.750 7.516 -5.212 379 1HB LEU 50 1HB LEU 50 -9.416 7.389 -6.670 380 2HB LEU 50 2HB LEU 50 -7.964 7.920 -7.518 381 HG LEU 50 HG LEU 50 -6.829 5.942 -6.579 382 1HD1 LEU 50 1HD1 LEU 50 -9.431 4.570 -6.154 383 2HD1 LEU 50 2HD1 LEU 50 -7.771 3.919 -6.110 384 3HD1 LEU 50 3HD1 LEU 50 -8.272 5.089 -4.887 385 1HD2 LEU 50 1HD2 LEU 50 -7.639 4.398 -8.423 386 2HD2 LEU 50 2HD2 LEU 50 -9.115 5.404 -8.526 387 3HD2 LEU 50 3HD2 LEU 50 -7.551 6.073 -8.981 388 HA PRO 51 HA PRO 51 -7.632 11.990 -6.415 389 1HB PRO 51 1HB PRO 51 -9.916 13.307 -5.859 390 2HB PRO 51 2HB PRO 51 -9.773 12.163 -7.208 391 1HG PRO 51 1HG PRO 51 -10.917 11.629 -4.456 392 2HG PRO 51 2HG PRO 51 -11.629 11.229 -6.054 393 1HD PRO 51 1HD PRO 51 -10.150 9.490 -4.515 394 2HD PRO 51 2HD PRO 51 -10.238 9.330 -6.257 395 H GLN 52 H GLN 52 -7.635 10.729 -3.340 396 HA GLN 52 HA GLN 52 -6.762 13.322 -2.117 397 1HB GLN 52 1HB GLN 52 -7.660 10.763 -0.705 398 2HB GLN 52 2HB GLN 52 -7.118 12.257 0.055 399 1HG GLN 52 1HG GLN 52 -9.081 13.439 -0.932 400 2HG GLN 52 2HG GLN 52 -9.658 11.895 -1.572 401 1HE2 GLN 52 1HE2 GLN 52 -10.946 10.627 -0.191 402 2HE2 GLN 52 2HE2 GLN 52 -11.100 10.958 1.528 403 H LEU 53 H LEU 53 -5.943 10.066 -3.090 404 HA LEU 53 HA LEU 53 -3.502 9.756 -1.465 405 1HB LEU 53 1HB LEU 53 -4.949 8.271 -3.707 406 2HB LEU 53 2HB LEU 53 -3.351 7.800 -3.210 407 HG LEU 53 HG LEU 53 -5.631 6.734 -2.198 408 1HD1 LEU 53 1HD1 LEU 53 -4.100 6.066 -0.196 409 2HD1 LEU 53 2HD1 LEU 53 -3.596 5.630 -1.851 410 3HD1 LEU 53 3HD1 LEU 53 -2.882 7.036 -1.056 411 1HD2 LEU 53 1HD2 LEU 53 -6.364 8.677 -0.909 412 2HD2 LEU 53 2HD2 LEU 53 -5.920 7.330 0.114 413 3HD2 LEU 53 3HD2 LEU 53 -4.830 8.705 -0.060 414 H GLU 54 H GLU 54 -1.443 9.206 -2.804 415 HA GLU 54 HA GLU 54 -0.740 11.626 -4.296 416 1HB GLU 54 1HB GLU 54 0.938 9.192 -3.580 417 2HB GLU 54 2HB GLU 54 1.481 10.802 -4.059 418 1HG GLU 54 1HG GLU 54 -0.130 11.411 -1.904 419 2HG GLU 54 2HG GLU 54 0.455 9.828 -1.430 420 H GLN 55 H GLN 55 0.270 8.428 -5.315 421 HA GLN 55 HA GLN 55 -1.488 8.494 -7.629 422 1HB GLN 55 1HB GLN 55 1.224 9.674 -7.657 423 2HB GLN 55 2HB GLN 55 0.864 8.484 -8.976 424 1HG GLN 55 1HG GLN 55 -1.390 10.147 -8.933 425 2HG GLN 55 2HG GLN 55 -0.094 11.269 -8.520 426 1HE2 GLN 55 1HE2 GLN 55 -0.805 8.614 -10.768 427 2HE2 GLN 55 2HE2 GLN 55 -0.180 9.365 -12.219 428 HA PRO 56 HA PRO 56 0.900 4.574 -7.986 429 1HB PRO 56 1HB PRO 56 3.111 3.881 -6.616 430 2HB PRO 56 2HB PRO 56 3.103 4.850 -8.126 431 1HG PRO 56 1HG PRO 56 3.374 5.899 -5.319 432 2HG PRO 56 2HG PRO 56 4.330 6.304 -6.758 433 1HD PRO 56 1HD PRO 56 2.295 7.867 -5.974 434 2HD PRO 56 2HD PRO 56 2.589 7.614 -7.702 435 H TYR 57 H TYR 57 -1.065 4.296 -7.055 436 HA TYR 57 HA TYR 57 -1.435 3.645 -4.262 437 1HB TYR 57 1HB TYR 57 -3.304 2.653 -6.433 438 2HB TYR 57 2HB TYR 57 -3.667 3.128 -4.797 439 HD1 TYR 57 1HD TYR 57 -4.615 3.923 -7.789 440 HD2 TYR 57 2HD TYR 57 -2.457 5.879 -4.598 441 HE1 TYR 57 1HE TYR 57 -5.372 6.109 -8.616 442 HE2 TYR 57 2HE TYR 57 -3.130 8.088 -5.496 443 HH TYR 57 HH TYR 57 -4.097 9.178 -7.261 444 H VAL 58 H VAL 58 -0.408 1.941 -3.413 445 HA VAL 58 HA VAL 58 0.223 -0.427 -4.974 446 HB VAL 58 HB VAL 58 0.590 0.092 -2.005 447 1HG1 VAL 58 1HG1 VAL 58 0.651 -2.309 -2.669 448 2HG1 VAL 58 2HG1 VAL 58 1.864 -1.927 -3.912 449 3HG1 VAL 58 3HG1 VAL 58 2.240 -1.721 -2.193 450 1HG2 VAL 58 1HG2 VAL 58 2.952 0.603 -2.644 451 2HG2 VAL 58 2HG2 VAL 58 2.498 0.523 -4.351 452 3HG2 VAL 58 3HG2 VAL 58 1.825 1.783 -3.303 453 H PHE 59 H PHE 59 -1.625 -1.458 -5.592 454 HA PHE 59 HA PHE 59 -3.888 -1.874 -3.732 455 1HB PHE 59 1HB PHE 59 -3.307 -2.916 -6.529 456 2HB PHE 59 2HB PHE 59 -4.824 -3.141 -5.664 457 HD1 PHE 59 1HD PHE 59 -3.813 -1.653 -8.444 458 HD2 PHE 59 2HD PHE 59 -5.460 -0.501 -4.613 459 HE1 PHE 59 1HE PHE 59 -4.941 0.246 -9.497 460 HE2 PHE 59 2HE PHE 59 -6.358 1.567 -5.637 461 HZ PHE 59 HZ PHE 59 -6.196 1.918 -8.089 462 H ILE 60 H ILE 60 -4.831 -3.811 -3.367 463 HA ILE 60 HA ILE 60 -3.091 -6.185 -3.563 464 HB ILE 60 HB ILE 60 -3.820 -6.985 -1.473 465 1HG1 ILE 60 1HG1 ILE 60 -5.306 -4.401 -0.939 466 2HG1 ILE 60 2HG1 ILE 60 -6.026 -5.968 -1.336 467 1HG2 ILE 60 1HG2 ILE 60 -1.840 -5.529 -1.723 468 2HG2 ILE 60 2HG2 ILE 60 -2.865 -4.178 -1.123 469 3HG2 ILE 60 3HG2 ILE 60 -2.491 -5.581 -0.082 470 1HD1 ILE 60 1HD1 ILE 60 -6.132 -5.560 1.068 471 2HD1 ILE 60 2HD1 ILE 60 -5.133 -6.978 0.689 472 3HD1 ILE 60 3HD1 ILE 60 -4.369 -5.439 1.135 473 H LYS 61 H LYS 61 -3.956 -7.623 -4.859 474 HA LYS 61 HA LYS 61 -6.918 -7.783 -5.070 475 1HB LYS 61 1HB LYS 61 -6.558 -8.114 -7.534 476 2HB LYS 61 2HB LYS 61 -6.338 -6.482 -6.955 477 1HG LYS 61 1HG LYS 61 -4.355 -6.447 -7.855 478 2HG LYS 61 2HG LYS 61 -3.806 -7.873 -6.937 479 1HD LYS 61 1HD LYS 61 -5.242 -9.139 -8.858 480 2HD LYS 61 2HD LYS 61 -4.798 -7.676 -9.741 481 1HE LYS 61 1HE LYS 61 -2.463 -8.076 -9.397 482 2HE LYS 61 2HE LYS 61 -2.824 -9.335 -8.186 483 1HZ LYS 61 1HZ LYS 61 -3.818 -10.618 -10.035 484 2HZ LYS 61 2HZ LYS 61 -3.262 -9.533 -11.114 485 3HZ LYS 61 3HZ LYS 61 -2.188 -10.387 -10.182 486 H ARG 62 H ARG 62 -7.781 -9.784 -5.524 487 HA ARG 62 HA ARG 62 -6.294 -11.997 -4.441 488 1HB ARG 62 1HB ARG 62 -8.327 -13.383 -5.246 489 2HB ARG 62 2HB ARG 62 -8.471 -12.266 -3.886 490 1HG ARG 62 1HG ARG 62 -9.596 -10.734 -5.011 491 2HG ARG 62 2HG ARG 62 -9.091 -11.154 -6.617 492 1HD ARG 62 1HD ARG 62 -10.705 -13.224 -5.155 493 2HD ARG 62 2HD ARG 62 -11.542 -11.781 -5.759 494 HE ARG 62 HE ARG 62 -9.888 -12.761 -7.828 495 1HH1 ARG 62 2HH2 ARG 62 -12.779 -13.853 -6.088 496 2HH1 ARG 62 1HH2 ARG 62 -13.477 -14.672 -7.423 497 1HH2 ARG 62 2HH1 ARG 62 -10.938 -13.650 -9.732 498 2HH2 ARG 62 1HH1 ARG 62 -12.383 -14.545 -9.568 499 H SER 63 H SER 63 -4.736 -11.699 -5.743 500 HA SER 63 HA SER 63 -3.101 -12.397 -7.216 501 1HB SER 63 1HB SER 63 -3.656 -14.434 -5.907 502 2HB SER 63 2HB SER 63 -4.762 -14.939 -7.248 503 HG SER 63 HG SER 63 -2.156 -15.428 -7.098 504 H ASP 64 H ASP 64 -3.591 -14.325 -9.485 505 HA ASP 64 HA ASP 64 -5.150 -12.518 -11.306 506 1HB ASP 64 1HB ASP 64 -2.781 -13.366 -11.930 507 2HB ASP 64 2HB ASP 64 -3.572 -14.904 -12.286 508 H ALA 65 H ALA 65 -6.636 -13.460 -9.463 509 HA ALA 65 HA ALA 65 -8.551 -14.451 -8.929 510 1HB ALA 65 1HB ALA 65 -9.976 -15.481 -10.669 511 2HB ALA 65 2HB ALA 65 -9.347 -13.872 -11.102 512 3HB ALA 65 3HB ALA 65 -8.633 -15.339 -11.811 513 H LEU 66 H LEU 66 -5.930 -15.906 -8.885 514 HA LEU 66 HA LEU 66 -6.450 -18.685 -9.205 515 1HB LEU 66 1HB LEU 66 -4.233 -17.046 -7.951 516 2HB LEU 66 2HB LEU 66 -4.123 -18.780 -8.053 517 HG LEU 66 HG LEU 66 -4.784 -17.194 -10.551 518 1HD1 LEU 66 1HD1 LEU 66 -2.336 -17.233 -11.097 519 2HD1 LEU 66 2HD1 LEU 66 -2.844 -16.063 -9.904 520 3HD1 LEU 66 3HD1 LEU 66 -2.040 -17.545 -9.365 521 1HD2 LEU 66 1HD2 LEU 66 -3.335 -19.829 -10.175 522 2HD2 LEU 66 2HD2 LEU 66 -5.060 -19.640 -10.588 523 3HD2 LEU 66 3HD2 LEU 66 -3.833 -19.060 -11.699 524 H SER 67 H SER 67 -7.993 -16.985 -6.953 525 HA SER 67 HA SER 67 -7.239 -18.169 -4.496 526 1HB SER 67 1HB SER 67 -9.624 -16.553 -5.454 527 2HB SER 67 2HB SER 67 -9.611 -17.267 -3.833 528 HG SER 67 HG SER 67 -7.656 -16.283 -3.434 529 H THR 68 H THR 68 -9.255 -19.573 -6.980 530 HA THR 68 HA THR 68 -10.603 -21.379 -6.984 531 HB THR 68 HB THR 68 -8.296 -22.111 -7.201 532 HG1 THR 68 1HG THR 68 -9.754 -23.771 -7.328 533 1HG2 THR 68 1HG2 THR 68 -7.227 -21.527 -5.146 534 2HG2 THR 68 2HG2 THR 68 -8.357 -22.486 -4.181 535 3HG2 THR 68 3HG2 THR 68 -7.198 -23.285 -5.247 536 H ASN 69 H ASN 69 -10.420 -23.501 -4.872 537 HA ASN 69 HA ASN 69 -12.397 -22.501 -2.887 538 1HB ASN 69 1HB ASN 69 -13.062 -24.546 -3.953 539 2HB ASN 69 2HB ASN 69 -11.496 -25.296 -3.598 540 1HD2 ASN 69 1HD2 ASN 69 -12.756 -27.003 -2.621 541 2HD2 ASN 69 2HD2 ASN 69 -13.459 -26.831 -1.041 542 H HIS 70 H HIS 70 -9.482 -24.683 -2.781 543 HA HIS 70 HA HIS 70 -9.234 -24.177 0.004 544 1HB HIS 70 1HB HIS 70 -7.639 -25.791 0.064 545 2HB HIS 70 2HB HIS 70 -8.455 -26.265 -1.415 546 HD1 HIS 70 1HD HIS 70 -5.061 -26.033 -0.237 547 HD2 HIS 70 2HD HIS 70 -7.157 -24.602 -3.580 548 HE1 HIS 70 1HE HIS 70 -3.304 -25.394 -1.948 549 H GLY 71 H GLY 71 -7.343 -23.372 1.146 550 1HA GLY 71 1HA GLY 71 -5.623 -21.843 1.520 551 2HA GLY 71 2HA GLY 71 -5.669 -21.346 -0.182 552 H HIS 72 H HIS 72 -6.151 -20.044 2.734 553 HA HIS 72 HA HIS 72 -8.608 -18.625 2.484 554 1HB HIS 72 1HB HIS 72 -6.001 -17.748 3.660 555 2HB HIS 72 2HB HIS 72 -7.510 -16.852 3.840 556 HD1 HIS 72 1HD HIS 72 -9.466 -18.211 5.361 557 HD2 HIS 72 2HD HIS 72 -5.539 -19.658 5.214 558 HE1 HIS 72 1HE HIS 72 -9.136 -19.556 7.515 559 H LYS 73 H LYS 73 -8.915 -16.389 1.783 560 HA LYS 73 HA LYS 73 -8.223 -15.679 -0.739 561 1HB LYS 73 1HB LYS 73 -10.011 -14.688 0.278 562 2HB LYS 73 2HB LYS 73 -9.049 -14.017 1.622 563 1HG LYS 73 1HG LYS 73 -8.163 -12.287 0.239 564 2HG LYS 73 2HG LYS 73 -8.633 -13.139 -1.237 565 1HD LYS 73 1HD LYS 73 -10.124 -11.372 -1.053 566 2HD LYS 73 2HD LYS 73 -11.053 -12.796 -0.620 567 1HE LYS 73 1HE LYS 73 -9.882 -10.878 1.446 568 2HE LYS 73 2HE LYS 73 -11.442 -10.625 0.645 569 1HZ LYS 73 1HZ LYS 73 -12.002 -11.693 2.576 570 2HZ LYS 73 2HZ LYS 73 -12.048 -12.895 1.497 571 3HZ LYS 73 3HZ LYS 73 -10.763 -12.784 2.526 572 H VAL 74 H VAL 74 -6.231 -16.007 -1.324 573 HA VAL 74 HA VAL 74 -3.874 -14.597 -0.454 574 HB VAL 74 HB VAL 74 -4.676 -15.779 -3.158 575 1HG1 VAL 74 1HG1 VAL 74 -1.925 -15.009 -2.097 576 2HG1 VAL 74 2HG1 VAL 74 -2.221 -15.968 -3.567 577 3HG1 VAL 74 3HG1 VAL 74 -2.768 -14.302 -3.489 578 1HG2 VAL 74 1HG2 VAL 74 -3.331 -17.752 -2.432 579 2HG2 VAL 74 2HG2 VAL 74 -3.168 -17.019 -0.817 580 3HG2 VAL 74 3HG2 VAL 74 -4.756 -17.501 -1.441 581 H VAL 75 H VAL 75 -2.955 -12.698 -1.333 582 HA VAL 75 HA VAL 75 -4.322 -11.459 -3.514 583 HB VAL 75 HB VAL 75 -4.108 -9.171 -2.641 584 1HG1 VAL 75 1HG1 VAL 75 -5.890 -10.757 -0.795 585 2HG1 VAL 75 2HG1 VAL 75 -6.043 -9.072 -1.360 586 3HG1 VAL 75 3HG1 VAL 75 -6.274 -10.405 -2.495 587 1HG2 VAL 75 1HG2 VAL 75 -2.439 -9.258 -0.977 588 2HG2 VAL 75 2HG2 VAL 75 -3.958 -8.884 -0.110 589 3HG2 VAL 75 3HG2 VAL 75 -3.276 -10.518 -0.070 590 H GLU 76 H GLU 76 -2.735 -9.466 -4.177 591 HA GLU 76 HA GLU 76 0.073 -10.331 -3.771 592 1HB GLU 76 1HB GLU 76 -1.231 -9.811 -6.476 593 2HB GLU 76 2HB GLU 76 0.500 -10.015 -6.188 594 1HG GLU 76 1HG GLU 76 0.144 -12.303 -5.370 595 2HG GLU 76 2HG GLU 76 -1.597 -12.158 -5.621 596 H LEU 77 H LEU 77 1.522 -8.548 -4.079 597 HA LEU 77 HA LEU 77 0.423 -5.833 -3.759 598 1HB LEU 77 1HB LEU 77 3.257 -6.876 -4.241 599 2HB LEU 77 2HB LEU 77 2.832 -5.182 -4.181 600 HG LEU 77 HG LEU 77 2.426 -7.073 -1.835 601 1HD1 LEU 77 1HD1 LEU 77 4.651 -5.045 -2.363 602 2HD1 LEU 77 2HD1 LEU 77 4.423 -5.955 -0.873 603 3HD1 LEU 77 3HD1 LEU 77 4.840 -6.812 -2.369 604 1HD2 LEU 77 1HD2 LEU 77 2.270 -4.903 -0.586 605 2HD2 LEU 77 2HD2 LEU 77 2.357 -4.041 -2.119 606 3HD2 LEU 77 3HD2 LEU 77 0.962 -5.084 -1.765 607 H VAL 78 H VAL 78 -0.063 -4.568 -5.421 608 HA VAL 78 HA VAL 78 1.200 -4.848 -8.037 609 HB VAL 78 HB VAL 78 -1.747 -4.150 -8.019 610 1HG1 VAL 78 1HG1 VAL 78 -1.841 -5.237 -10.127 611 2HG1 VAL 78 2HG1 VAL 78 -0.407 -4.190 -10.162 612 3HG1 VAL 78 3HG1 VAL 78 -0.229 -5.950 -9.930 613 1HG2 VAL 78 1HG2 VAL 78 -0.842 -7.014 -7.786 614 2HG2 VAL 78 2HG2 VAL 78 -1.973 -6.106 -6.727 615 3HG2 VAL 78 3HG2 VAL 78 -2.394 -6.413 -8.415 616 H ALA 79 H ALA 79 0.818 -2.454 -9.099 617 HA ALA 79 HA ALA 79 0.107 -0.449 -7.227 618 1HB ALA 79 1HB ALA 79 2.352 -0.827 -6.324 619 2HB ALA 79 2HB ALA 79 3.059 -0.653 -7.938 620 3HB ALA 79 3HB ALA 79 2.283 0.738 -7.142 621 H GLU 80 H GLU 80 -0.656 1.234 -8.367 622 HA GLU 80 HA GLU 80 -0.102 1.349 -11.293 623 1HB GLU 80 1HB GLU 80 -2.656 0.729 -9.791 624 2HB GLU 80 2HB GLU 80 -2.741 1.653 -11.285 625 1HG GLU 80 1HG GLU 80 -3.181 -0.636 -11.748 626 2HG GLU 80 2HG GLU 80 -1.732 -0.085 -12.568 627 H MET 81 H MET 81 0.465 3.539 -11.634 628 HA MET 81 HA MET 81 0.181 5.463 -9.696 629 1HB MET 81 1HB MET 81 1.202 6.961 -11.101 630 2HB MET 81 2HB MET 81 1.798 5.398 -11.658 631 1HG MET 81 1HG MET 81 -0.009 5.489 -13.442 632 2HG MET 81 2HG MET 81 -0.336 7.145 -12.942 633 1HE MET 81 1HE MET 81 3.321 8.733 -13.830 634 2HE MET 81 2HE MET 81 1.928 8.933 -12.746 635 3HE MET 81 3HE MET 81 3.172 7.704 -12.400 636 H ASP 82 H ASP 82 -2.257 4.696 -12.022 637 HA ASP 82 HA ASP 82 -3.886 7.055 -11.127 638 1HB ASP 82 1HB ASP 82 -2.923 7.302 -13.462 639 2HB ASP 82 2HB ASP 82 -3.933 5.947 -13.956 640 H GLY 83 H GLY 83 -3.597 4.214 -10.250 641 1HA GLY 83 1HA GLY 83 -4.565 2.222 -10.070 642 2HA GLY 83 2HA GLY 83 -6.142 3.086 -10.046 643 H ILE 84 H ILE 84 -4.028 3.149 -12.725 644 HA ILE 84 HA ILE 84 -5.299 3.000 -14.892 645 HB ILE 84 HB ILE 84 -2.827 1.377 -14.233 646 1HG1 ILE 84 1HG1 ILE 84 -3.086 3.974 -15.804 647 2HG1 ILE 84 2HG1 ILE 84 -2.870 3.928 -14.051 648 1HG2 ILE 84 1HG2 ILE 84 -3.686 0.294 -16.257 649 2HG2 ILE 84 2HG2 ILE 84 -3.930 1.872 -17.021 650 3HG2 ILE 84 3HG2 ILE 84 -2.294 1.266 -16.659 651 1HD1 ILE 84 1HD1 ILE 84 -0.742 4.309 -15.136 652 2HD1 ILE 84 2HD1 ILE 84 -0.727 2.755 -14.278 653 3HD1 ILE 84 3HD1 ILE 84 -0.871 2.813 -16.050 654 H GLN 85 H GLN 85 -4.401 -0.187 -13.602 655 HA GLN 85 HA GLN 85 -6.725 -1.456 -14.918 656 1HB GLN 85 1HB GLN 85 -4.308 -1.926 -15.914 657 2HB GLN 85 2HB GLN 85 -4.019 -2.776 -14.401 658 1HG GLN 85 1HG GLN 85 -4.608 -4.409 -16.029 659 2HG GLN 85 2HG GLN 85 -6.010 -4.268 -14.980 660 1HE2 GLN 85 1HE2 GLN 85 -4.737 -3.686 -18.257 661 2HE2 GLN 85 2HE2 GLN 85 -6.220 -3.125 -18.948 662 H TYR 86 H TYR 86 -7.228 -3.422 -13.570 663 HA TYR 86 HA TYR 86 -7.630 -4.567 -11.642 664 1HB TYR 86 1HB TYR 86 -5.374 -3.059 -10.263 665 2HB TYR 86 2HB TYR 86 -6.089 -4.566 -9.770 666 HD1 TYR 86 1HD TYR 86 -5.839 -6.587 -11.365 667 HD2 TYR 86 2HD TYR 86 -3.424 -3.009 -11.658 668 HE1 TYR 86 1HE TYR 86 -4.215 -7.783 -12.826 669 HE2 TYR 86 2HE TYR 86 -1.820 -4.212 -13.061 670 HH TYR 86 HH TYR 86 -1.472 -6.117 -14.369 671 H GLY 87 H GLY 87 -6.975 -1.068 -10.972 672 1HA GLY 87 1HA GLY 87 -8.168 -0.595 -8.649 673 2HA GLY 87 2HA GLY 87 -8.216 0.541 -10.009 674 H ARG 88 H ARG 88 -10.180 -0.012 -7.837 675 HA ARG 88 HA ARG 88 -12.312 -0.452 -7.459 676 1HB ARG 88 1HB ARG 88 -12.437 1.228 -9.431 677 2HB ARG 88 2HB ARG 88 -13.079 -0.104 -10.372 678 1HG ARG 88 1HG ARG 88 -15.036 -0.255 -8.958 679 2HG ARG 88 2HG ARG 88 -14.236 0.610 -7.653 680 1HD ARG 88 1HD ARG 88 -15.544 2.317 -8.442 681 2HD ARG 88 2HD ARG 88 -14.066 2.596 -9.360 682 HE ARG 88 HE ARG 88 -15.708 0.839 -10.825 683 1HH1 ARG 88 2HH2 ARG 88 -15.316 4.336 -10.153 684 2HH1 ARG 88 1HH2 ARG 88 -16.350 4.821 -11.444 685 1HH2 ARG 88 2HH1 ARG 88 -16.979 1.439 -12.463 686 2HH2 ARG 88 1HH1 ARG 88 -17.174 3.104 -12.907 687 H SER 89 H SER 89 -13.735 -1.999 -9.987 688 HA SER 89 HA SER 89 -14.231 -4.153 -10.425 689 1HB SER 89 1HB SER 89 -11.469 -5.125 -9.593 690 2HB SER 89 2HB SER 89 -12.521 -5.639 -10.903 691 HG SER 89 HG SER 89 -10.712 -3.568 -10.783 692 H GLY 90 H GLY 90 -13.919 -6.593 -9.317 693 1HA GLY 90 1HA GLY 90 -14.439 -6.297 -6.394 694 2HA GLY 90 2HA GLY 90 -14.925 -7.654 -7.421 695 H ILE 91 H ILE 91 -12.073 -7.318 -8.737 696 HA ILE 91 HA ILE 91 -10.887 -9.414 -7.308 697 HB ILE 91 HB ILE 91 -10.562 -8.690 -9.723 698 1HG1 ILE 91 1HG1 ILE 91 -8.174 -9.387 -8.092 699 2HG1 ILE 91 2HG1 ILE 91 -9.411 -10.531 -8.652 700 1HG2 ILE 91 1HG2 ILE 91 -8.790 -7.195 -10.358 701 2HG2 ILE 91 2HG2 ILE 91 -9.761 -6.291 -9.206 702 3HG2 ILE 91 3HG2 ILE 91 -8.231 -7.015 -8.703 703 1HD1 ILE 91 1HD1 ILE 91 -8.780 -10.072 -10.993 704 2HD1 ILE 91 2HD1 ILE 91 -7.419 -9.070 -10.419 705 3HD1 ILE 91 3HD1 ILE 91 -7.475 -10.801 -10.041 706 H THR 92 H THR 92 -10.570 -5.877 -6.903 707 HA THR 92 HA THR 92 -8.257 -6.268 -5.255 708 HB THR 92 HB THR 92 -9.593 -3.653 -5.986 709 HG1 THR 92 1HG THR 92 -8.005 -3.809 -7.741 710 1HG2 THR 92 1HG2 THR 92 -7.323 -2.779 -5.686 711 2HG2 THR 92 2HG2 THR 92 -7.694 -3.693 -4.248 712 3HG2 THR 92 3HG2 THR 92 -6.669 -4.410 -5.520 713 H LEU 93 H LEU 93 -8.051 -5.627 -3.095 714 HA LEU 93 HA LEU 93 -10.598 -5.544 -1.568 715 1HB LEU 93 1HB LEU 93 -7.956 -6.191 -0.350 716 2HB LEU 93 2HB LEU 93 -9.565 -6.522 0.239 717 HG LEU 93 HG LEU 93 -8.109 -7.916 -2.043 718 1HD1 LEU 93 1HD1 LEU 93 -7.447 -8.490 0.257 719 2HD1 LEU 93 2HD1 LEU 93 -9.145 -8.854 0.651 720 3HD1 LEU 93 3HD1 LEU 93 -8.257 -9.844 -0.539 721 1HD2 LEU 93 1HD2 LEU 93 -10.922 -8.571 -1.091 722 2HD2 LEU 93 2HD2 LEU 93 -10.546 -7.807 -2.638 723 3HD2 LEU 93 3HD2 LEU 93 -9.974 -9.433 -2.337 724 H GLY 94 H GLY 94 -7.347 -3.839 -1.816 725 1HA GLY 94 1HA GLY 94 -8.582 -1.315 -1.192 726 2HA GLY 94 2HA GLY 94 -7.786 -2.023 0.216 727 H VAL 95 H VAL 95 -6.558 0.062 -0.235 728 HA VAL 95 HA VAL 95 -4.142 -0.537 -1.874 729 HB VAL 95 HB VAL 95 -5.392 2.127 -1.083 730 1HG1 VAL 95 1HG1 VAL 95 -2.942 2.339 -0.998 731 2HG1 VAL 95 2HG1 VAL 95 -2.818 1.564 -2.598 732 3HG1 VAL 95 3HG1 VAL 95 -3.556 3.175 -2.421 733 1HG2 VAL 95 1HG2 VAL 95 -5.860 2.647 -3.244 734 2HG2 VAL 95 2HG2 VAL 95 -4.806 1.380 -3.877 735 3HG2 VAL 95 3HG2 VAL 95 -6.380 0.963 -3.120 736 H LEU 96 H LEU 96 -2.260 -0.703 -0.748 737 HA LEU 96 HA LEU 96 -2.248 -0.542 2.164 738 1HB LEU 96 1HB LEU 96 -0.384 -1.382 -0.088 739 2HB LEU 96 2HB LEU 96 0.274 -1.016 1.477 740 HG LEU 96 HG LEU 96 -0.475 -2.795 2.520 741 1HD1 LEU 96 1HD1 LEU 96 -2.420 -4.236 1.941 742 2HD1 LEU 96 2HD1 LEU 96 -2.786 -2.610 2.498 743 3HD1 LEU 96 3HD1 LEU 96 -2.904 -2.993 0.762 744 1HD2 LEU 96 1HD2 LEU 96 -0.499 -3.777 -0.342 745 2HD2 LEU 96 2HD2 LEU 96 0.920 -3.570 0.691 746 3HD2 LEU 96 3HD2 LEU 96 -0.281 -4.809 1.097 747 H VAL 97 H VAL 97 -1.049 0.843 3.320 748 HA VAL 97 HA VAL 97 0.339 3.163 2.129 749 HB VAL 97 HB VAL 97 -0.901 4.535 3.880 750 1HG1 VAL 97 1HG1 VAL 97 -2.656 3.508 1.611 751 2HG1 VAL 97 2HG1 VAL 97 -2.695 5.100 2.414 752 3HG1 VAL 97 3HG1 VAL 97 -1.311 4.659 1.420 753 1HG2 VAL 97 1HG2 VAL 97 -3.003 2.295 3.786 754 2HG2 VAL 97 2HG2 VAL 97 -1.923 2.614 5.164 755 3HG2 VAL 97 3HG2 VAL 97 -3.093 3.832 4.663 756 HA PRO 98 HA PRO 98 2.888 2.334 5.716 757 1HB PRO 98 1HB PRO 98 2.822 5.196 6.510 758 2HB PRO 98 2HB PRO 98 4.207 4.118 6.109 759 1HG PRO 98 1HG PRO 98 3.236 6.137 4.395 760 2HG PRO 98 2HG PRO 98 4.096 4.665 3.843 761 1HD PRO 98 1HD PRO 98 1.175 5.318 3.877 762 2HD PRO 98 2HD PRO 98 2.122 4.378 2.676 763 H HIS 99 H HIS 99 2.552 2.143 8.027 764 HA HIS 99 HA HIS 99 0.175 3.523 9.184 765 1HB HIS 99 1HB HIS 99 0.010 1.051 9.514 766 2HB HIS 99 2HB HIS 99 1.641 1.011 10.124 767 HD1 HIS 99 1HD HIS 99 1.464 0.572 12.651 768 HD2 HIS 99 2HD HIS 99 -1.095 3.633 11.278 769 HE1 HIS 99 1HE HIS 99 0.320 1.599 14.694 770 H VAL 100 H VAL 100 0.849 5.283 10.310 771 HA VAL 100 HA VAL 100 3.262 4.978 12.002 772 HB VAL 100 HB VAL 100 4.127 6.115 10.222 773 1HG1 VAL 100 1HG1 VAL 100 3.296 8.109 9.146 774 2HG1 VAL 100 2HG1 VAL 100 2.126 6.808 8.980 775 3HG1 VAL 100 3HG1 VAL 100 1.834 8.080 10.175 776 1HG2 VAL 100 1HG2 VAL 100 4.610 7.089 12.475 777 2HG2 VAL 100 2HG2 VAL 100 4.889 8.172 11.101 778 3HG2 VAL 100 3HG2 VAL 100 3.441 8.376 12.117 779 H GLY 101 H GLY 101 1.231 4.166 13.152 780 1HA GLY 101 1HA GLY 101 0.402 4.355 15.260 781 2HA GLY 101 2HA GLY 101 1.174 5.932 15.349 782 H GLU 102 H GLU 102 -1.112 5.331 12.849 783 HA GLU 102 HA GLU 102 -2.331 7.809 13.494 784 1HB GLU 102 1HB GLU 102 -2.388 5.805 11.250 785 2HB GLU 102 2HB GLU 102 -3.520 7.155 11.202 786 1HG GLU 102 1HG GLU 102 -1.883 8.773 11.120 787 2HG GLU 102 2HG GLU 102 -0.665 7.795 11.869 788 H THR 103 H THR 103 -3.135 4.992 14.778 789 HA THR 103 HA THR 103 -4.878 3.896 15.696 790 HB THR 103 HB THR 103 -5.913 6.645 15.721 791 HG1 THR 103 1HG THR 103 -6.202 4.882 17.830 792 1HG2 THR 103 1HG2 THR 103 -8.022 5.882 16.898 793 2HG2 THR 103 2HG2 THR 103 -8.035 5.627 15.161 794 3HG2 THR 103 3HG2 THR 103 -7.715 4.253 16.228 795 HA PRO 104 HA PRO 104 -7.138 2.664 11.951 796 1HB PRO 104 1HB PRO 104 -7.104 -0.015 12.405 797 2HB PRO 104 2HB PRO 104 -5.728 0.886 11.717 798 1HG PRO 104 1HG PRO 104 -6.222 0.023 14.595 799 2HG PRO 104 2HG PRO 104 -4.712 -0.190 13.667 800 1HD PRO 104 1HD PRO 104 -5.136 1.877 15.416 801 2HD PRO 104 2HD PRO 104 -4.103 2.067 13.975 802 H ILE 105 H ILE 105 -9.113 1.580 11.730 803 HA ILE 105 HA ILE 105 -10.839 1.680 14.141 804 HB ILE 105 HB ILE 105 -12.685 1.510 12.484 805 1HG1 ILE 105 1HG1 ILE 105 -11.041 0.549 10.612 806 2HG1 ILE 105 2HG1 ILE 105 -12.485 1.421 10.233 807 1HG2 ILE 105 1HG2 ILE 105 -12.056 3.612 13.480 808 2HG2 ILE 105 2HG2 ILE 105 -10.795 3.891 12.268 809 3HG2 ILE 105 3HG2 ILE 105 -12.501 3.883 11.792 810 1HD1 ILE 105 1HD1 ILE 105 -9.759 2.757 10.347 811 2HD1 ILE 105 2HD1 ILE 105 -10.519 2.108 8.877 812 3HD1 ILE 105 3HD1 ILE 105 -11.299 3.418 9.786 813 H ALA 106 H ALA 106 -9.384 -0.568 11.852 814 HA ALA 106 HA ALA 106 -10.517 -2.924 13.167 815 1HB ALA 106 1HB ALA 106 -11.042 -2.176 10.235 816 2HB ALA 106 2HB ALA 106 -11.445 -3.738 10.962 817 3HB ALA 106 3HB ALA 106 -12.254 -2.264 11.523 818 H TYR 107 H TYR 107 -9.642 -4.916 11.651 819 HA TYR 107 HA TYR 107 -7.028 -4.226 10.427 820 1HB TYR 107 1HB TYR 107 -7.450 -6.325 12.551 821 2HB TYR 107 2HB TYR 107 -6.237 -6.559 11.310 822 HD1 TYR 107 1HD TYR 107 -7.198 -3.734 13.679 823 HD2 TYR 107 2HD TYR 107 -4.054 -6.058 11.832 824 HE1 TYR 107 1HE TYR 107 -5.502 -2.391 14.853 825 HE2 TYR 107 2HE TYR 107 -2.371 -4.796 13.111 826 HH TYR 107 HH TYR 107 -3.252 -2.091 15.320 827 H ARG 108 H ARG 108 -6.299 -5.825 8.949 828 HA ARG 108 HA ARG 108 -8.379 -7.588 7.753 829 1HB ARG 108 1HB ARG 108 -7.294 -5.422 6.461 830 2HB ARG 108 2HB ARG 108 -6.046 -6.603 6.122 831 1HG ARG 108 1HG ARG 108 -7.572 -6.683 4.285 832 2HG ARG 108 2HG ARG 108 -7.909 -8.150 5.230 833 1HD ARG 108 1HD ARG 108 -9.838 -7.103 6.271 834 2HD ARG 108 2HD ARG 108 -9.408 -5.514 5.618 835 HE ARG 108 HE ARG 108 -9.788 -7.142 3.400 836 1HH1 ARG 108 2HH2 ARG 108 -11.668 -5.920 6.162 837 2HH1 ARG 108 1HH2 ARG 108 -13.151 -5.817 5.279 838 1HH2 ARG 108 2HH1 ARG 108 -11.825 -6.930 2.197 839 2HH2 ARG 108 1HH1 ARG 108 -13.249 -6.588 3.107 840 H ASN 109 H ASN 109 -7.437 -9.782 7.098 841 HA ASN 109 HA ASN 109 -4.569 -10.066 7.379 842 1HB ASN 109 1HB ASN 109 -5.281 -12.526 7.801 843 2HB ASN 109 2HB ASN 109 -5.059 -11.423 9.163 844 1HD2 ASN 109 1HD2 ASN 109 -7.624 -12.902 7.039 845 2HD2 ASN 109 2HD2 ASN 109 -8.820 -12.846 8.326 846 H VAL 110 H VAL 110 -3.747 -11.160 5.618 847 HA VAL 110 HA VAL 110 -5.488 -12.264 3.533 848 HB VAL 110 HB VAL 110 -4.228 -10.953 1.837 849 1HG1 VAL 110 1HG1 VAL 110 -5.501 -8.901 1.961 850 2HG1 VAL 110 2HG1 VAL 110 -6.498 -10.271 2.462 851 3HG1 VAL 110 3HG1 VAL 110 -5.835 -9.152 3.680 852 1HG2 VAL 110 1HG2 VAL 110 -2.267 -10.239 3.233 853 2HG2 VAL 110 2HG2 VAL 110 -3.037 -8.888 2.397 854 3HG2 VAL 110 3HG2 VAL 110 -3.326 -9.137 4.128 855 H LEU 111 H LEU 111 -3.806 -13.255 1.788 856 HA LEU 111 HA LEU 111 -1.326 -14.105 3.205 857 1HB LEU 111 1HB LEU 111 -3.185 -15.485 1.245 858 2HB LEU 111 2HB LEU 111 -1.518 -15.992 1.327 859 HG LEU 111 HG LEU 111 -3.184 -17.420 2.317 860 1HD1 LEU 111 1HD1 LEU 111 -1.989 -18.164 4.221 861 2HD1 LEU 111 2HD1 LEU 111 -0.795 -17.489 3.107 862 3HD1 LEU 111 3HD1 LEU 111 -1.313 -16.564 4.509 863 1HD2 LEU 111 1HD2 LEU 111 -4.148 -16.941 4.549 864 2HD2 LEU 111 2HD2 LEU 111 -3.561 -15.285 4.413 865 3HD2 LEU 111 3HD2 LEU 111 -4.753 -15.868 3.249 866 H LEU 112 H LEU 112 0.460 -14.405 1.753 867 HA LEU 112 HA LEU 112 0.463 -12.921 -0.817 868 1HB LEU 112 1HB LEU 112 1.790 -12.011 1.531 869 2HB LEU 112 2HB LEU 112 3.029 -12.896 0.693 870 HG LEU 112 HG LEU 112 1.450 -10.546 -0.429 871 1HD1 LEU 112 1HD1 LEU 112 3.260 -9.933 1.125 872 2HD1 LEU 112 2HD1 LEU 112 4.424 -10.891 0.193 873 3HD1 LEU 112 3HD1 LEU 112 3.669 -9.445 -0.512 874 1HD2 LEU 112 1HD2 LEU 112 3.536 -12.266 -1.829 875 2HD2 LEU 112 2HD2 LEU 112 1.833 -11.991 -2.328 876 3HD2 LEU 112 3HD2 LEU 112 2.994 -10.674 -2.402 877 H ARG 113 H ARG 113 1.868 -13.952 -2.383 878 HA ARG 113 HA ARG 113 2.105 -16.724 -2.261 879 1HB ARG 113 1HB ARG 113 3.376 -16.555 -4.302 880 2HB ARG 113 2HB ARG 113 1.978 -15.502 -4.336 881 1HG ARG 113 1HG ARG 113 4.304 -14.071 -3.274 882 2HG ARG 113 2HG ARG 113 4.714 -14.839 -4.796 883 1HD ARG 113 1HD ARG 113 2.796 -13.746 -5.893 884 2HD ARG 113 2HD ARG 113 2.284 -13.062 -4.356 885 HE ARG 113 HE ARG 113 3.831 -11.358 -4.589 886 1HH1 ARG 113 2HH2 ARG 113 4.244 -13.424 -7.384 887 2HH1 ARG 113 1HH2 ARG 113 5.842 -12.920 -7.773 888 1HH2 ARG 113 2HH1 ARG 113 5.926 -10.476 -5.144 889 2HH2 ARG 113 1HH1 ARG 113 6.622 -10.948 -6.654 890 H LYS 114 H LYS 114 3.866 -18.171 -2.181 891 HA LYS 114 HA LYS 114 6.567 -17.294 -2.010 892 1HB LYS 114 1HB LYS 114 5.283 -18.291 0.523 893 2HB LYS 114 2HB LYS 114 6.732 -19.146 0.041 894 1HG LYS 114 1HG LYS 114 7.850 -16.823 -0.233 895 2HG LYS 114 2HG LYS 114 6.460 -16.201 0.677 896 1HD LYS 114 1HD LYS 114 7.053 -17.929 2.483 897 2HD LYS 114 2HD LYS 114 8.535 -18.248 1.573 898 1HE LYS 114 1HE LYS 114 9.315 -16.000 1.822 899 2HE LYS 114 2HE LYS 114 7.759 -15.436 2.442 900 1HZ LYS 114 1HZ LYS 114 8.132 -16.656 4.463 901 2HZ LYS 114 2HZ LYS 114 9.478 -17.385 3.858 902 3HZ LYS 114 3HZ LYS 114 9.459 -15.771 4.181 903 H ASN 115 H ASN 115 7.614 -18.763 -3.295 904 HA ASN 115 HA ASN 115 6.363 -21.170 -4.235 905 1HB ASN 115 1HB ASN 115 8.704 -19.629 -4.881 906 2HB ASN 115 2HB ASN 115 9.272 -21.239 -4.512 907 1HD2 ASN 115 1HD2 ASN 115 6.483 -19.740 -6.366 908 2HD2 ASN 115 2HD2 ASN 115 6.785 -20.787 -7.741 909 H GLY 116 H GLY 116 9.499 -21.118 -2.461 910 1HA GLY 116 1HA GLY 116 8.989 -22.441 -0.109 911 2HA GLY 116 2HA GLY 116 9.023 -23.708 -1.350 Start of MODEL 4 1 1H GLY 1 H GLY 1 0.007 -23.834 1.175 2 1HA GLY 1 1HA GLY 1 2.281 -22.623 2.611 3 2HA GLY 1 2HA GLY 1 2.162 -22.905 0.857 4 H HIS 2 H HIS 2 2.828 -20.581 0.934 5 HA HIS 2 HA HIS 2 2.530 -18.349 0.686 6 1HB HIS 2 1HB HIS 2 -0.477 -18.767 0.985 7 2HB HIS 2 2HB HIS 2 0.295 -17.275 0.671 8 HD1 HIS 2 1HD HIS 2 1.037 -20.530 -1.387 9 HD2 HIS 2 2HD HIS 2 -0.467 -16.590 -1.544 10 HE1 HIS 2 1HE HIS 2 0.572 -20.046 -3.820 11 H VAL 3 H VAL 3 2.171 -16.462 2.155 12 HA VAL 3 HA VAL 3 2.405 -17.367 5.002 13 HB VAL 3 HB VAL 3 3.661 -14.909 4.829 14 1HG1 VAL 3 1HG1 VAL 3 4.447 -16.890 6.033 15 2HG1 VAL 3 2HG1 VAL 3 4.891 -17.656 4.493 16 3HG1 VAL 3 3HG1 VAL 3 5.739 -16.189 5.041 17 1HG2 VAL 3 1HG2 VAL 3 4.542 -16.376 2.315 18 2HG2 VAL 3 2HG2 VAL 3 3.616 -14.864 2.369 19 3HG2 VAL 3 3HG2 VAL 3 5.251 -14.907 3.020 20 H GLN 4 H GLN 4 0.878 -16.583 6.462 21 HA GLN 4 HA GLN 4 -1.054 -14.736 5.393 22 1HB GLN 4 1HB GLN 4 -1.283 -16.646 7.266 23 2HB GLN 4 2HB GLN 4 -0.955 -15.266 8.340 24 1HG GLN 4 1HG GLN 4 -2.802 -14.004 7.195 25 2HG GLN 4 2HG GLN 4 -3.072 -15.401 6.129 26 1HE2 GLN 4 1HE2 GLN 4 -5.247 -14.432 7.610 27 2HE2 GLN 4 2HE2 GLN 4 -5.574 -15.486 8.966 28 H LEU 5 H LEU 5 -1.434 -12.646 5.952 29 HA LEU 5 HA LEU 5 0.323 -11.287 7.826 30 1HB LEU 5 1HB LEU 5 -0.066 -10.370 4.942 31 2HB LEU 5 2HB LEU 5 0.516 -9.315 6.230 32 HG LEU 5 HG LEU 5 1.968 -11.825 5.265 33 1HD1 LEU 5 1HD1 LEU 5 2.566 -8.874 4.795 34 2HD1 LEU 5 2HD1 LEU 5 3.562 -10.247 4.266 35 3HD1 LEU 5 3HD1 LEU 5 1.936 -10.010 3.582 36 1HD2 LEU 5 1HD2 LEU 5 2.535 -11.329 7.611 37 2HD2 LEU 5 2HD2 LEU 5 3.878 -10.859 6.553 38 3HD2 LEU 5 3HD2 LEU 5 2.791 -9.622 7.219 39 H SER 6 H SER 6 -0.746 -9.475 8.810 40 HA SER 6 HA SER 6 -3.454 -8.956 7.803 41 1HB SER 6 1HB SER 6 -2.844 -8.293 10.612 42 2HB SER 6 2HB SER 6 -4.294 -8.929 9.862 43 HG SER 6 HG SER 6 -3.411 -11.011 9.930 44 H LEU 7 H LEU 7 -4.121 -6.721 8.147 45 HA LEU 7 HA LEU 7 -1.913 -4.744 8.306 46 1HB LEU 7 1HB LEU 7 -4.081 -4.926 6.189 47 2HB LEU 7 2HB LEU 7 -3.059 -3.513 6.441 48 HG LEU 7 HG LEU 7 -1.946 -6.271 5.747 49 1HD1 LEU 7 1HD1 LEU 7 -3.395 -5.456 3.935 50 2HD1 LEU 7 2HD1 LEU 7 -2.494 -3.911 3.922 51 3HD1 LEU 7 3HD1 LEU 7 -1.683 -5.429 3.464 52 1HD2 LEU 7 1HD2 LEU 7 0.070 -5.002 5.124 53 2HD2 LEU 7 2HD2 LEU 7 -0.689 -3.487 5.630 54 3HD2 LEU 7 3HD2 LEU 7 -0.297 -4.745 6.817 55 HA PRO 8 HA PRO 8 -5.246 -3.012 10.875 56 1HB PRO 8 1HB PRO 8 -3.797 -0.610 11.368 57 2HB PRO 8 2HB PRO 8 -3.948 -1.976 12.419 58 1HG PRO 8 1HG PRO 8 -1.546 -1.150 11.076 59 2HG PRO 8 2HG PRO 8 -1.802 -2.640 12.020 60 1HD PRO 8 1HD PRO 8 -1.932 -2.166 9.083 61 2HD PRO 8 2HD PRO 8 -1.424 -3.610 9.941 62 H VAL 9 H VAL 9 -6.943 -1.762 10.116 63 HA VAL 9 HA VAL 9 -6.617 -0.376 7.510 64 HB VAL 9 HB VAL 9 -9.166 -0.969 9.053 65 1HG1 VAL 9 1HG1 VAL 9 -9.299 0.765 7.270 66 2HG1 VAL 9 2HG1 VAL 9 -8.695 -0.419 6.096 67 3HG1 VAL 9 3HG1 VAL 9 -10.267 -0.671 6.902 68 1HG2 VAL 9 1HG2 VAL 9 -8.148 -3.156 8.581 69 2HG2 VAL 9 2HG2 VAL 9 -9.519 -2.878 7.507 70 3HG2 VAL 9 3HG2 VAL 9 -7.856 -2.679 6.896 71 H LEU 10 H LEU 10 -6.200 1.764 7.693 72 HA LEU 10 HA LEU 10 -7.168 3.303 10.071 73 1HB LEU 10 1HB LEU 10 -5.031 4.113 8.132 74 2HB LEU 10 2HB LEU 10 -5.330 4.810 9.715 75 HG LEU 10 HG LEU 10 -4.282 1.995 9.275 76 1HD1 LEU 10 1HD1 LEU 10 -2.580 4.487 9.434 77 2HD1 LEU 10 2HD1 LEU 10 -1.981 2.834 9.544 78 3HD1 LEU 10 3HD1 LEU 10 -2.761 3.378 8.062 79 1HD2 LEU 10 1HD2 LEU 10 -3.976 3.823 11.674 80 2HD2 LEU 10 2HD2 LEU 10 -5.076 2.467 11.515 81 3HD2 LEU 10 3HD2 LEU 10 -3.337 2.173 11.519 82 H GLN 11 H GLN 11 -8.214 5.326 9.474 83 HA GLN 11 HA GLN 11 -9.628 5.265 6.961 84 1HB GLN 11 1HB GLN 11 -9.405 7.517 9.013 85 2HB GLN 11 2HB GLN 11 -10.522 7.472 7.636 86 1HG GLN 11 1HG GLN 11 -11.400 5.266 8.534 87 2HG GLN 11 2HG GLN 11 -10.401 5.553 9.971 88 1HE2 GLN 11 1HE2 GLN 11 -12.708 7.633 8.101 89 2HE2 GLN 11 2HE2 GLN 11 -13.651 8.006 9.563 90 H VAL 12 H VAL 12 -9.270 6.396 5.110 91 HA VAL 12 HA VAL 12 -6.618 7.123 4.423 92 HB VAL 12 HB VAL 12 -8.562 6.276 3.005 93 1HG1 VAL 12 1HG1 VAL 12 -9.343 9.213 2.885 94 2HG1 VAL 12 2HG1 VAL 12 -9.981 7.920 1.869 95 3HG1 VAL 12 3HG1 VAL 12 -10.309 7.906 3.605 96 1HG2 VAL 12 1HG2 VAL 12 -7.771 7.298 0.983 97 2HG2 VAL 12 2HG2 VAL 12 -7.025 8.638 1.889 98 3HG2 VAL 12 3HG2 VAL 12 -6.422 6.969 2.088 99 H ARG 13 H ARG 13 -8.900 8.767 6.206 100 HA ARG 13 HA ARG 13 -8.166 11.492 5.519 101 1HB ARG 13 1HB ARG 13 -9.959 10.576 7.816 102 2HB ARG 13 2HB ARG 13 -9.977 12.118 6.958 103 1HG ARG 13 1HG ARG 13 -10.674 10.794 4.872 104 2HG ARG 13 2HG ARG 13 -10.903 9.383 5.946 105 1HD ARG 13 1HD ARG 13 -12.798 10.192 6.884 106 2HD ARG 13 2HD ARG 13 -12.246 11.874 6.825 107 HE ARG 13 HE ARG 13 -12.664 11.068 4.162 108 1HH1 ARG 13 2HH2 ARG 13 -14.880 11.051 6.852 109 2HH1 ARG 13 1HH2 ARG 13 -15.934 12.286 6.252 110 1HH2 ARG 13 2HH1 ARG 13 -14.055 12.743 3.268 111 2HH2 ARG 13 1HH1 ARG 13 -15.510 13.189 4.138 112 H ASP 14 H ASP 14 -7.602 9.105 8.099 113 HA ASP 14 HA ASP 14 -6.347 10.996 9.921 114 1HB ASP 14 1HB ASP 14 -6.484 7.951 9.773 115 2HB ASP 14 2HB ASP 14 -5.505 8.837 10.937 116 H VAL 15 H VAL 15 -5.451 8.541 7.544 117 HA VAL 15 HA VAL 15 -2.664 8.546 7.798 118 HB VAL 15 HB VAL 15 -4.345 7.566 5.468 119 1HG1 VAL 15 1HG1 VAL 15 -2.417 6.045 5.132 120 2HG1 VAL 15 2HG1 VAL 15 -1.864 7.708 5.068 121 3HG1 VAL 15 3HG1 VAL 15 -1.579 6.767 6.526 122 1HG2 VAL 15 1HG2 VAL 15 -4.384 5.420 6.480 123 2HG2 VAL 15 2HG2 VAL 15 -3.300 5.918 7.798 124 3HG2 VAL 15 3HG2 VAL 15 -4.939 6.514 7.768 125 H LEU 16 H LEU 16 -2.405 10.867 7.877 126 HA LEU 16 HA LEU 16 -2.512 12.737 5.838 127 1HB LEU 16 1HB LEU 16 -0.265 12.032 7.766 128 2HB LEU 16 2HB LEU 16 -0.269 13.475 6.779 129 HG LEU 16 HG LEU 16 -2.325 12.800 8.910 130 1HD1 LEU 16 1HD1 LEU 16 -0.107 13.397 9.786 131 2HD1 LEU 16 2HD1 LEU 16 -0.121 14.888 8.822 132 3HD1 LEU 16 3HD1 LEU 16 -1.299 14.649 10.144 133 1HD2 LEU 16 1HD2 LEU 16 -2.083 15.224 7.086 134 2HD2 LEU 16 2HD2 LEU 16 -3.461 14.110 7.225 135 3HD2 LEU 16 3HD2 LEU 16 -3.072 15.190 8.560 136 H VAL 17 H VAL 17 -0.273 9.915 5.901 137 HA VAL 17 HA VAL 17 0.614 10.736 3.202 138 HB VAL 17 HB VAL 17 2.412 11.139 4.669 139 1HG1 VAL 17 1HG1 VAL 17 2.181 8.298 5.738 140 2HG1 VAL 17 2HG1 VAL 17 3.456 9.454 6.130 141 3HG1 VAL 17 3HG1 VAL 17 1.789 9.782 6.615 142 1HG2 VAL 17 1HG2 VAL 17 4.167 9.771 3.740 143 2HG2 VAL 17 2HG2 VAL 17 3.015 8.515 3.260 144 3HG2 VAL 17 3HG2 VAL 17 2.972 10.126 2.490 145 H ARG 18 H ARG 18 -0.577 9.604 1.860 146 HA ARG 18 HA ARG 18 -1.166 6.759 2.367 147 1HB ARG 18 1HB ARG 18 -2.270 8.512 0.254 148 2HB ARG 18 2HB ARG 18 -2.865 6.966 0.878 149 1HG ARG 18 1HG ARG 18 -4.257 8.252 2.107 150 2HG ARG 18 2HG ARG 18 -2.914 8.355 3.184 151 1HD ARG 18 1HD ARG 18 -2.319 10.537 2.321 152 2HD ARG 18 2HD ARG 18 -3.357 10.349 0.905 153 HE ARG 18 HE ARG 18 -5.021 10.139 3.136 154 1HH1 ARG 18 2HH2 ARG 18 -2.650 12.523 2.164 155 2HH1 ARG 18 1HH2 ARG 18 -3.463 13.899 2.774 156 1HH2 ARG 18 2HH1 ARG 18 -6.098 11.732 4.073 157 2HH2 ARG 18 1HH1 ARG 18 -5.588 13.402 4.058 158 H GLY 19 H GLY 19 1.605 7.968 1.109 159 1HA GLY 19 1HA GLY 19 1.600 6.213 -1.228 160 2HA GLY 19 2HA GLY 19 1.804 7.947 -1.479 161 H PHE 20 H PHE 20 3.197 5.049 -0.588 162 HA PHE 20 HA PHE 20 5.452 5.572 1.046 163 1HB PHE 20 1HB PHE 20 4.902 3.639 -1.240 164 2HB PHE 20 2HB PHE 20 6.363 3.656 -0.310 165 HD1 PHE 20 1HD PHE 20 3.588 1.780 -0.718 166 HD2 PHE 20 2HD PHE 20 5.779 3.700 2.512 167 HE1 PHE 20 1HE PHE 20 2.617 0.215 0.890 168 HE2 PHE 20 2HE PHE 20 4.800 2.103 4.076 169 HZ PHE 20 HZ PHE 20 3.213 0.370 3.311 170 H GLY 21 H GLY 21 4.919 6.235 -2.328 171 1HA GLY 21 1HA GLY 21 7.316 7.853 -2.479 172 2HA GLY 21 2HA GLY 21 7.379 6.444 -3.576 173 H ASP 22 H ASP 22 7.515 8.630 -4.918 174 HA ASP 22 HA ASP 22 4.775 9.485 -5.671 175 1HB ASP 22 1HB ASP 22 5.690 11.362 -6.718 176 2HB ASP 22 2HB ASP 22 6.499 11.210 -5.164 177 H SER 23 H SER 23 7.376 7.412 -6.603 178 HA SER 23 HA SER 23 6.150 7.099 -9.326 179 1HB SER 23 1HB SER 23 9.006 6.932 -8.308 180 2HB SER 23 2HB SER 23 8.508 6.282 -9.874 181 HG SER 23 HG SER 23 8.228 8.998 -8.961 182 H VAL 24 H VAL 24 5.939 4.895 -10.112 183 HA VAL 24 HA VAL 24 4.757 3.384 -7.999 184 HB VAL 24 HB VAL 24 3.509 2.751 -9.639 185 1HG1 VAL 24 1HG1 VAL 24 4.402 4.367 -11.218 186 2HG1 VAL 24 2HG1 VAL 24 5.750 3.241 -11.596 187 3HG1 VAL 24 3HG1 VAL 24 4.070 2.838 -12.035 188 1HG2 VAL 24 1HG2 VAL 24 5.733 0.960 -10.680 189 2HG2 VAL 24 2HG2 VAL 24 4.728 0.570 -9.281 190 3HG2 VAL 24 3HG2 VAL 24 3.977 0.746 -10.869 191 H GLU 25 H GLU 25 7.885 2.995 -9.648 192 HA GLU 25 HA GLU 25 8.421 0.425 -8.510 193 1HB GLU 25 1HB GLU 25 10.367 2.558 -9.516 194 2HB GLU 25 2HB GLU 25 10.743 0.865 -9.208 195 1HG GLU 25 1HG GLU 25 8.472 0.789 -10.899 196 2HG GLU 25 2HG GLU 25 9.421 2.126 -11.522 197 H GLU 26 H GLU 26 8.787 3.639 -7.310 198 HA GLU 26 HA GLU 26 10.456 3.150 -4.964 199 1HB GLU 26 1HB GLU 26 8.319 5.280 -5.459 200 2HB GLU 26 2HB GLU 26 9.431 5.262 -4.141 201 1HG GLU 26 1HG GLU 26 11.325 5.361 -5.689 202 2HG GLU 26 2HG GLU 26 10.223 5.423 -7.073 203 H ALA 27 H ALA 27 6.975 3.645 -5.471 204 HA ALA 27 HA ALA 27 6.260 3.100 -2.841 205 1HB ALA 27 1HB ALA 27 3.993 3.190 -3.647 206 2HB ALA 27 2HB ALA 27 4.942 4.330 -4.597 207 3HB ALA 27 3HB ALA 27 4.495 2.770 -5.299 208 H LEU 28 H LEU 28 6.274 0.870 -5.647 209 HA LEU 28 HA LEU 28 5.252 -1.386 -4.285 210 1HB LEU 28 1HB LEU 28 5.952 -0.803 -6.856 211 2HB LEU 28 2HB LEU 28 7.295 -1.828 -6.438 212 HG LEU 28 HG LEU 28 4.323 -2.447 -6.255 213 1HD1 LEU 28 1HD1 LEU 28 5.229 -2.363 -8.561 214 2HD1 LEU 28 2HD1 LEU 28 6.437 -3.572 -8.131 215 3HD1 LEU 28 3HD1 LEU 28 4.719 -4.000 -8.117 216 1HD2 LEU 28 1HD2 LEU 28 5.363 -3.762 -4.519 217 2HD2 LEU 28 2HD2 LEU 28 4.964 -4.834 -5.872 218 3HD2 LEU 28 3HD2 LEU 28 6.655 -4.300 -5.633 219 H SER 29 H SER 29 8.658 -0.242 -4.578 220 HA SER 29 HA SER 29 9.837 -2.584 -3.358 221 1HB SER 29 1HB SER 29 11.049 -0.974 -4.849 222 2HB SER 29 2HB SER 29 10.931 0.268 -3.586 223 HG SER 29 HG SER 29 12.432 -0.709 -2.467 224 H GLU 30 H GLU 30 9.076 0.706 -2.237 225 HA GLU 30 HA GLU 30 9.724 0.661 0.463 226 1HB GLU 30 1HB GLU 30 7.483 1.811 -1.198 227 2HB GLU 30 2HB GLU 30 7.558 2.199 0.493 228 1HG GLU 30 1HG GLU 30 9.904 2.801 -1.325 229 2HG GLU 30 2HG GLU 30 8.468 3.830 -1.217 230 H ALA 31 H ALA 31 6.702 -0.420 -1.190 231 HA ALA 31 HA ALA 31 5.252 -0.958 1.184 232 1HB ALA 31 1HB ALA 31 4.251 -0.639 -0.992 233 2HB ALA 31 2HB ALA 31 4.972 -2.141 -1.594 234 3HB ALA 31 3HB ALA 31 3.745 -2.201 -0.295 235 H ARG 32 H ARG 32 7.183 -3.204 -0.894 236 HA ARG 32 HA ARG 32 6.873 -5.461 0.894 237 1HB ARG 32 1HB ARG 32 9.234 -4.727 -0.924 238 2HB ARG 32 2HB ARG 32 9.044 -6.255 -0.063 239 1HG ARG 32 1HG ARG 32 6.885 -6.595 -1.353 240 2HG ARG 32 2HG ARG 32 7.360 -5.203 -2.353 241 1HD ARG 32 1HD ARG 32 8.153 -7.010 -3.602 242 2HD ARG 32 2HD ARG 32 9.588 -6.533 -2.692 243 HE ARG 32 HE ARG 32 7.830 -8.582 -1.478 244 1HH1 ARG 32 2HH2 ARG 32 10.871 -8.069 -3.274 245 2HH1 ARG 32 1HH2 ARG 32 11.564 -9.550 -2.701 246 1HH2 ARG 32 2HH1 ARG 32 8.685 -10.571 -0.950 247 2HH2 ARG 32 1HH1 ARG 32 10.284 -11.041 -1.479 248 H GLU 33 H GLU 33 9.010 -2.599 0.985 249 HA GLU 33 HA GLU 33 10.581 -3.710 3.075 250 1HB GLU 33 1HB GLU 33 10.298 -1.121 1.632 251 2HB GLU 33 2HB GLU 33 10.831 -0.921 3.298 252 1HG GLU 33 1HG GLU 33 12.822 -1.984 2.946 253 2HG GLU 33 2HG GLU 33 12.166 -3.048 1.699 254 H HIS 34 H HIS 34 7.760 -1.477 3.138 255 HA HIS 34 HA HIS 34 7.933 -1.077 5.994 256 1HB HIS 34 1HB HIS 34 5.926 -0.277 3.896 257 2HB HIS 34 2HB HIS 34 5.668 0.003 5.620 258 HD1 HIS 34 1HD HIS 34 8.441 0.900 3.032 259 HD2 HIS 34 2HD HIS 34 6.434 2.368 6.417 260 HE1 HIS 34 1HE HIS 34 9.498 3.160 3.584 261 H LEU 35 H LEU 35 6.338 -3.416 3.887 262 HA LEU 35 HA LEU 35 4.744 -4.663 5.954 263 1HB LEU 35 1HB LEU 35 5.999 -5.652 3.368 264 2HB LEU 35 2HB LEU 35 4.991 -6.682 4.377 265 HG LEU 35 HG LEU 35 4.020 -4.027 3.214 266 1HD1 LEU 35 1HD1 LEU 35 4.577 -5.601 1.421 267 2HD1 LEU 35 2HD1 LEU 35 3.547 -6.859 2.196 268 3HD1 LEU 35 3HD1 LEU 35 2.832 -5.378 1.558 269 1HD2 LEU 35 1HD2 LEU 35 2.528 -6.347 4.459 270 2HD2 LEU 35 2HD2 LEU 35 2.756 -4.730 5.151 271 3HD2 LEU 35 3HD2 LEU 35 1.813 -4.903 3.673 272 H LYS 36 H LYS 36 8.201 -5.054 4.943 273 HA LYS 36 HA LYS 36 8.686 -7.255 6.708 274 1HB LYS 36 1HB LYS 36 9.877 -6.653 4.546 275 2HB LYS 36 2HB LYS 36 10.656 -5.340 5.389 276 1HG LYS 36 1HG LYS 36 10.731 -8.248 6.209 277 2HG LYS 36 2HG LYS 36 11.913 -7.566 5.102 278 1HD LYS 36 1HD LYS 36 11.633 -6.930 8.050 279 2HD LYS 36 2HD LYS 36 12.969 -7.726 7.246 280 1HE LYS 36 1HE LYS 36 13.675 -5.707 6.163 281 2HE LYS 36 2HE LYS 36 12.165 -4.888 6.510 282 1HZ LYS 36 1HZ LYS 36 12.740 -5.005 8.875 283 2HZ LYS 36 2HZ LYS 36 14.249 -5.510 8.480 284 3HZ LYS 36 3HZ LYS 36 13.683 -4.039 7.969 285 H ASN 37 H ASN 37 9.197 -3.742 6.875 286 HA ASN 37 HA ASN 37 10.215 -3.553 9.526 287 1HB ASN 37 1HB ASN 37 8.247 -1.731 8.069 288 2HB ASN 37 2HB ASN 37 8.888 -1.396 9.654 289 1HD2 ASN 37 1HD2 ASN 37 9.871 -1.713 6.202 290 2HD2 ASN 37 2HD2 ASN 37 11.145 -0.544 6.372 291 H GLY 38 H GLY 38 6.883 -3.577 8.292 292 1HA GLY 38 1HA GLY 38 5.074 -4.846 9.353 293 2HA GLY 38 2HA GLY 38 5.793 -4.440 10.924 294 H THR 39 H THR 39 6.215 -1.735 8.951 295 HA THR 39 HA THR 39 4.142 -0.289 10.455 296 HB THR 39 HB THR 39 5.551 1.668 9.659 297 HG1 THR 39 1HG THR 39 7.453 1.313 8.778 298 1HG2 THR 39 1HG2 THR 39 7.389 1.230 11.254 299 2HG2 THR 39 2HG2 THR 39 5.834 0.677 11.901 300 3HG2 THR 39 3HG2 THR 39 7.005 -0.492 11.259 301 H CYS 40 H CYS 40 2.788 -1.752 8.707 302 HA CYS 40 HA CYS 40 2.196 0.089 6.455 303 1HB CYS 40 1HB CYS 40 3.795 -1.532 5.628 304 2HB CYS 40 2HB CYS 40 2.796 -2.871 6.226 305 HG CYS 40 HG CYS 40 1.663 -0.491 4.231 306 H GLY 41 H GLY 41 0.126 0.269 5.951 307 1HA GLY 41 1HA GLY 41 -1.942 -1.350 7.282 308 2HA GLY 41 2HA GLY 41 -1.979 0.393 7.182 309 H LEU 42 H LEU 42 -4.165 -0.459 6.293 310 HA LEU 42 HA LEU 42 -4.016 -0.909 3.328 311 1HB LEU 42 1HB LEU 42 -4.525 -2.993 4.649 312 2HB LEU 42 2HB LEU 42 -5.884 -2.163 5.393 313 HG LEU 42 HG LEU 42 -6.895 -1.907 3.043 314 1HD1 LEU 42 1HD1 LEU 42 -4.918 -2.208 1.668 315 2HD1 LEU 42 2HD1 LEU 42 -4.582 -3.781 2.411 316 3HD1 LEU 42 3HD1 LEU 42 -5.994 -3.583 1.372 317 1HD2 LEU 42 1HD2 LEU 42 -7.665 -3.587 4.623 318 2HD2 LEU 42 2HD2 LEU 42 -7.732 -4.192 2.966 319 3HD2 LEU 42 3HD2 LEU 42 -6.429 -4.731 4.059 320 H VAL 43 H VAL 43 -5.360 0.387 2.035 321 HA VAL 43 HA VAL 43 -7.295 2.137 3.408 322 HB VAL 43 HB VAL 43 -5.784 2.194 0.759 323 1HG1 VAL 43 1HG1 VAL 43 -6.695 4.512 0.525 324 2HG1 VAL 43 2HG1 VAL 43 -7.978 3.300 0.509 325 3HG1 VAL 43 3HG1 VAL 43 -7.702 4.259 1.975 326 1HG2 VAL 43 1HG2 VAL 43 -4.349 2.732 2.709 327 2HG2 VAL 43 2HG2 VAL 43 -4.673 4.206 1.792 328 3HG2 VAL 43 3HG2 VAL 43 -5.545 3.894 3.310 329 H GLU 44 H GLU 44 -9.423 1.596 3.124 330 HA GLU 44 HA GLU 44 -10.218 -0.597 1.377 331 1HB GLU 44 1HB GLU 44 -11.899 1.426 2.921 332 2HB GLU 44 2HB GLU 44 -12.481 -0.083 2.188 333 1HG GLU 44 1HG GLU 44 -10.890 -1.325 3.695 334 2HG GLU 44 2HG GLU 44 -10.474 0.186 4.460 335 H LEU 45 H LEU 45 -10.580 -0.313 -0.734 336 HA LEU 45 HA LEU 45 -10.513 2.328 -1.885 337 1HB LEU 45 1HB LEU 45 -10.939 -0.407 -3.084 338 2HB LEU 45 2HB LEU 45 -11.026 1.037 -4.086 339 HG LEU 45 HG LEU 45 -8.633 0.579 -2.274 340 1HD1 LEU 45 1HD1 LEU 45 -7.488 -0.482 -4.125 341 2HD1 LEU 45 2HD1 LEU 45 -8.929 -1.414 -3.657 342 3HD1 LEU 45 3HD1 LEU 45 -8.962 -0.410 -5.122 343 1HD2 LEU 45 1HD2 LEU 45 -8.822 2.047 -4.940 344 2HD2 LEU 45 2HD2 LEU 45 -9.027 2.855 -3.374 345 3HD2 LEU 45 3HD2 LEU 45 -7.495 2.080 -3.752 346 H GLU 46 H GLU 46 -11.919 3.749 -2.352 347 HA GLU 46 HA GLU 46 -14.796 3.154 -2.342 348 1HB GLU 46 1HB GLU 46 -13.190 3.980 -0.238 349 2HB GLU 46 2HB GLU 46 -13.630 5.539 -0.941 350 1HG GLU 46 1HG GLU 46 -15.775 3.551 -0.473 351 2HG GLU 46 2HG GLU 46 -14.929 4.148 0.952 352 H LYS 47 H LYS 47 -15.932 5.417 -2.826 353 HA LYS 47 HA LYS 47 -15.488 6.155 -5.479 354 1HB LYS 47 1HB LYS 47 -17.594 6.612 -4.187 355 2HB LYS 47 2HB LYS 47 -16.731 7.795 -3.221 356 1HG LYS 47 1HG LYS 47 -17.880 9.114 -4.763 357 2HG LYS 47 2HG LYS 47 -16.253 9.074 -5.400 358 1HD LYS 47 1HD LYS 47 -17.358 8.638 -7.356 359 2HD LYS 47 2HD LYS 47 -17.203 6.983 -6.791 360 1HE LYS 47 1HE LYS 47 -19.456 7.188 -7.443 361 2HE LYS 47 2HE LYS 47 -19.496 7.263 -5.675 362 1HZ LYS 47 1HZ LYS 47 -20.911 8.918 -6.717 363 2HZ LYS 47 2HZ LYS 47 -19.741 9.685 -5.883 364 3HZ LYS 47 3HZ LYS 47 -19.617 9.593 -7.503 365 H GLY 48 H GLY 48 -14.702 8.052 -2.565 366 1HA GLY 48 1HA GLY 48 -13.089 9.900 -4.182 367 2HA GLY 48 2HA GLY 48 -13.691 10.129 -2.543 368 H VAL 49 H VAL 49 -12.029 7.100 -3.030 369 HA VAL 49 HA VAL 49 -10.061 7.979 -1.067 370 HB VAL 49 HB VAL 49 -10.915 5.435 -2.369 371 1HG1 VAL 49 1HG1 VAL 49 -8.511 5.066 -2.516 372 2HG1 VAL 49 2HG1 VAL 49 -8.291 5.630 -0.848 373 3HG1 VAL 49 3HG1 VAL 49 -9.180 4.122 -1.181 374 1HG2 VAL 49 1HG2 VAL 49 -11.243 4.809 -0.024 375 2HG2 VAL 49 2HG2 VAL 49 -10.253 6.144 0.541 376 3HG2 VAL 49 3HG2 VAL 49 -11.834 6.468 -0.175 377 H LEU 50 H LEU 50 -9.772 6.729 -4.399 378 HA LEU 50 HA LEU 50 -6.990 6.898 -4.670 379 1HB LEU 50 1HB LEU 50 -9.338 7.200 -6.548 380 2HB LEU 50 2HB LEU 50 -7.685 7.447 -7.130 381 HG LEU 50 HG LEU 50 -9.066 4.935 -6.285 382 1HD1 LEU 50 1HD1 LEU 50 -7.083 5.524 -8.518 383 2HD1 LEU 50 2HD1 LEU 50 -8.076 4.061 -8.332 384 3HD1 LEU 50 3HD1 LEU 50 -8.836 5.622 -8.671 385 1HD2 LEU 50 1HD2 LEU 50 -7.196 4.692 -4.820 386 2HD2 LEU 50 2HD2 LEU 50 -6.901 3.687 -6.243 387 3HD2 LEU 50 3HD2 LEU 50 -6.070 5.242 -6.077 388 HA PRO 51 HA PRO 51 -7.069 11.371 -5.978 389 1HB PRO 51 1HB PRO 51 -9.196 13.066 -5.625 390 2HB PRO 51 2HB PRO 51 -9.025 11.960 -7.025 391 1HG PRO 51 1HG PRO 51 -10.678 11.582 -4.531 392 2HG PRO 51 2HG PRO 51 -11.130 11.253 -6.240 393 1HD PRO 51 1HD PRO 51 -10.207 9.374 -4.453 394 2HD PRO 51 2HD PRO 51 -10.021 9.164 -6.186 395 H GLN 52 H GLN 52 -7.605 10.168 -2.911 396 HA GLN 52 HA GLN 52 -6.862 12.712 -1.542 397 1HB GLN 52 1HB GLN 52 -7.753 10.011 -0.401 398 2HB GLN 52 2HB GLN 52 -7.152 11.363 0.562 399 1HG GLN 52 1HG GLN 52 -8.966 12.803 -0.274 400 2HG GLN 52 2HG GLN 52 -9.550 11.485 -1.270 401 1HE2 GLN 52 1HE2 GLN 52 -11.055 10.110 -0.383 402 2HE2 GLN 52 2HE2 GLN 52 -11.579 10.129 1.306 403 H LEU 53 H LEU 53 -5.689 9.507 -2.687 404 HA LEU 53 HA LEU 53 -3.288 9.531 -1.180 405 1HB LEU 53 1HB LEU 53 -4.566 8.094 -3.549 406 2HB LEU 53 2HB LEU 53 -2.976 7.660 -2.998 407 HG LEU 53 HG LEU 53 -3.677 6.546 -1.325 408 1HD1 LEU 53 1HD1 LEU 53 -5.153 6.799 0.326 409 2HD1 LEU 53 2HD1 LEU 53 -4.652 8.429 -0.022 410 3HD1 LEU 53 3HD1 LEU 53 -6.218 7.904 -0.629 411 1HD2 LEU 53 1HD2 LEU 53 -5.722 5.273 -1.621 412 2HD2 LEU 53 2HD2 LEU 53 -6.401 6.582 -2.597 413 3HD2 LEU 53 3HD2 LEU 53 -5.026 5.633 -3.220 414 H GLU 54 H GLU 54 -1.296 8.926 -2.875 415 HA GLU 54 HA GLU 54 -0.713 11.511 -4.145 416 1HB GLU 54 1HB GLU 54 0.939 8.985 -3.736 417 2HB GLU 54 2HB GLU 54 1.499 10.473 -4.486 418 1HG GLU 54 1HG GLU 54 0.675 10.056 -1.592 419 2HG GLU 54 2HG GLU 54 2.292 10.382 -2.198 420 H GLN 55 H GLN 55 -0.053 8.259 -5.458 421 HA GLN 55 HA GLN 55 -1.841 8.486 -7.554 422 1HB GLN 55 1HB GLN 55 0.734 9.895 -7.913 423 2HB GLN 55 2HB GLN 55 0.381 8.668 -9.164 424 1HG GLN 55 1HG GLN 55 -0.905 11.314 -8.623 425 2HG GLN 55 2HG GLN 55 -0.433 10.589 -10.151 426 1HE2 GLN 55 1HE2 GLN 55 -1.957 8.071 -10.033 427 2HE2 GLN 55 2HE2 GLN 55 -3.620 8.512 -9.746 428 HA PRO 56 HA PRO 56 0.813 4.740 -8.320 429 1HB PRO 56 1HB PRO 56 3.121 4.155 -6.980 430 2HB PRO 56 2HB PRO 56 3.044 5.055 -8.532 431 1HG PRO 56 1HG PRO 56 3.395 6.139 -5.750 432 2HG PRO 56 2HG PRO 56 4.171 6.633 -7.263 433 1HD PRO 56 1HD PRO 56 2.021 7.980 -6.169 434 2HD PRO 56 2HD PRO 56 2.363 7.952 -7.914 435 H TYR 57 H TYR 57 -1.104 4.339 -7.176 436 HA TYR 57 HA TYR 57 -1.357 3.700 -4.468 437 1HB TYR 57 1HB TYR 57 -2.926 2.773 -6.878 438 2HB TYR 57 2HB TYR 57 -3.568 2.972 -5.264 439 HD1 TYR 57 1HD TYR 57 -2.652 5.747 -4.534 440 HD2 TYR 57 2HD TYR 57 -3.933 4.183 -8.360 441 HE1 TYR 57 1HE TYR 57 -3.328 8.051 -5.295 442 HE2 TYR 57 2HE TYR 57 -4.636 6.427 -9.054 443 HH TYR 57 HH TYR 57 -5.149 8.561 -8.295 444 H VAL 58 H VAL 58 -0.163 2.008 -3.567 445 HA VAL 58 HA VAL 58 0.536 -0.338 -5.144 446 HB VAL 58 HB VAL 58 1.068 0.091 -2.190 447 1HG1 VAL 58 1HG1 VAL 58 2.371 -1.672 -4.327 448 2HG1 VAL 58 2HG1 VAL 58 2.901 -1.525 -2.653 449 3HG1 VAL 58 3HG1 VAL 58 1.331 -2.252 -3.007 450 1HG2 VAL 58 1HG2 VAL 58 2.047 1.957 -3.459 451 2HG2 VAL 58 2HG2 VAL 58 3.287 0.853 -2.890 452 3HG2 VAL 58 3HG2 VAL 58 2.791 0.814 -4.598 453 H PHE 59 H PHE 59 -1.440 -1.270 -5.651 454 HA PHE 59 HA PHE 59 -3.465 -1.886 -3.641 455 1HB PHE 59 1HB PHE 59 -3.117 -2.847 -6.518 456 2HB PHE 59 2HB PHE 59 -4.578 -2.972 -5.569 457 HD1 PHE 59 1HD PHE 59 -5.251 -0.469 -4.470 458 HD2 PHE 59 2HD PHE 59 -3.152 -1.219 -8.155 459 HE1 PHE 59 1HE PHE 59 -6.024 1.704 -5.353 460 HE2 PHE 59 2HE PHE 59 -4.012 0.932 -9.059 461 HZ PHE 59 HZ PHE 59 -5.436 2.386 -7.666 462 H ILE 60 H ILE 60 -4.388 -3.869 -3.279 463 HA ILE 60 HA ILE 60 -2.594 -6.189 -3.645 464 HB ILE 60 HB ILE 60 -3.253 -7.064 -1.553 465 1HG1 ILE 60 1HG1 ILE 60 -4.613 -4.459 -0.787 466 2HG1 ILE 60 2HG1 ILE 60 -5.484 -5.913 -1.251 467 1HG2 ILE 60 1HG2 ILE 60 -1.272 -5.642 -1.845 468 2HG2 ILE 60 2HG2 ILE 60 -2.256 -4.239 -1.309 469 3HG2 ILE 60 3HG2 ILE 60 -1.899 -5.566 -0.191 470 1HD1 ILE 60 1HD1 ILE 60 -3.713 -5.604 1.180 471 2HD1 ILE 60 2HD1 ILE 60 -5.467 -5.856 1.126 472 3HD1 ILE 60 3HD1 ILE 60 -4.373 -7.147 0.634 473 H LYS 61 H LYS 61 -3.429 -7.483 -5.131 474 HA LYS 61 HA LYS 61 -6.397 -7.863 -5.100 475 1HB LYS 61 1HB LYS 61 -5.977 -8.877 -7.415 476 2HB LYS 61 2HB LYS 61 -6.292 -7.119 -7.248 477 1HG LYS 61 1HG LYS 61 -4.069 -6.643 -7.647 478 2HG LYS 61 2HG LYS 61 -3.514 -8.312 -7.279 479 1HD LYS 61 1HD LYS 61 -5.145 -8.884 -9.365 480 2HD LYS 61 2HD LYS 61 -4.744 -7.195 -9.741 481 1HE LYS 61 1HE LYS 61 -2.357 -7.771 -9.467 482 2HE LYS 61 2HE LYS 61 -2.870 -9.425 -9.083 483 1HZ LYS 61 1HZ LYS 61 -3.025 -8.037 -11.736 484 2HZ LYS 61 2HZ LYS 61 -2.204 -9.415 -11.361 485 3HZ LYS 61 3HZ LYS 61 -3.840 -9.435 -11.424 486 H ARG 62 H ARG 62 -7.197 -9.841 -5.275 487 HA ARG 62 HA ARG 62 -5.667 -12.111 -4.425 488 1HB ARG 62 1HB ARG 62 -7.608 -13.432 -5.103 489 2HB ARG 62 2HB ARG 62 -7.951 -12.120 -3.973 490 1HG ARG 62 1HG ARG 62 -8.682 -10.682 -5.940 491 2HG ARG 62 2HG ARG 62 -8.351 -12.094 -6.913 492 1HD ARG 62 1HD ARG 62 -10.348 -11.913 -4.624 493 2HD ARG 62 2HD ARG 62 -10.774 -11.566 -6.305 494 HE ARG 62 HE ARG 62 -9.769 -14.144 -6.428 495 1HH1 ARG 62 2HH2 ARG 62 -12.440 -12.372 -4.920 496 2HH1 ARG 62 1HH2 ARG 62 -13.548 -13.713 -5.018 497 1HH2 ARG 62 2HH1 ARG 62 -11.163 -15.953 -6.367 498 2HH2 ARG 62 1HH1 ARG 62 -12.772 -15.805 -5.748 499 H SER 63 H SER 63 -4.036 -12.687 -5.326 500 HA SER 63 HA SER 63 -3.497 -13.453 -8.033 501 1HB SER 63 1HB SER 63 -1.801 -14.286 -7.047 502 2HB SER 63 2HB SER 63 -2.531 -14.193 -5.398 503 HG SER 63 HG SER 63 -2.347 -16.225 -7.343 504 H ASP 64 H ASP 64 -4.439 -15.252 -9.237 505 HA ASP 64 HA ASP 64 -6.053 -16.991 -7.651 506 1HB ASP 64 1HB ASP 64 -7.369 -14.840 -9.043 507 2HB ASP 64 2HB ASP 64 -7.790 -16.284 -9.942 508 H ALA 65 H ALA 65 -3.648 -17.293 -9.081 509 HA ALA 65 HA ALA 65 -4.359 -19.550 -10.860 510 1HB ALA 65 1HB ALA 65 -2.584 -18.878 -12.412 511 2HB ALA 65 2HB ALA 65 -3.841 -17.642 -12.286 512 3HB ALA 65 3HB ALA 65 -2.273 -17.415 -11.455 513 H LEU 66 H LEU 66 -3.605 -19.444 -8.017 514 HA LEU 66 HA LEU 66 -1.214 -21.204 -8.160 515 1HB LEU 66 1HB LEU 66 -1.740 -18.889 -6.269 516 2HB LEU 66 2HB LEU 66 -0.730 -20.248 -5.786 517 HG LEU 66 HG LEU 66 -0.130 -18.899 -8.434 518 1HD1 LEU 66 1HD1 LEU 66 0.723 -17.807 -5.737 519 2HD1 LEU 66 2HD1 LEU 66 1.340 -17.301 -7.334 520 3HD1 LEU 66 3HD1 LEU 66 -0.361 -17.032 -6.920 521 1HD2 LEU 66 1HD2 LEU 66 1.089 -20.958 -7.703 522 2HD2 LEU 66 2HD2 LEU 66 2.150 -19.567 -7.919 523 3HD2 LEU 66 3HD2 LEU 66 1.683 -20.080 -6.287 524 H SER 67 H SER 67 -2.235 -23.119 -7.893 525 HA SER 67 HA SER 67 -3.979 -23.595 -5.596 526 1HB SER 67 1HB SER 67 -5.728 -24.486 -7.373 527 2HB SER 67 2HB SER 67 -5.702 -22.789 -6.875 528 HG SER 67 HG SER 67 -5.535 -22.333 -8.873 529 H THR 68 H THR 68 -3.518 -25.564 -4.895 530 HA THR 68 HA THR 68 -3.135 -27.842 -6.521 531 HB THR 68 HB THR 68 -0.638 -27.251 -4.899 532 HG1 THR 68 1HG THR 68 -0.514 -26.964 -7.654 533 1HG2 THR 68 1HG2 THR 68 -0.931 -29.569 -5.502 534 2HG2 THR 68 2HG2 THR 68 -1.285 -29.171 -7.181 535 3HG2 THR 68 3HG2 THR 68 0.346 -28.923 -6.536 536 H ASN 69 H ASN 69 -2.026 -26.592 -3.314 537 HA ASN 69 HA ASN 69 -3.543 -28.814 -2.020 538 1HB ASN 69 1HB ASN 69 -1.026 -29.077 -2.049 539 2HB ASN 69 2HB ASN 69 -0.920 -27.675 -0.997 540 1HD2 ASN 69 1HD2 ASN 69 -1.139 -28.192 1.346 541 2HD2 ASN 69 2HD2 ASN 69 -1.904 -29.634 1.876 542 H HIS 70 H HIS 70 -3.497 -25.433 -2.256 543 HA HIS 70 HA HIS 70 -4.753 -25.081 0.377 544 1HB HIS 70 1HB HIS 70 -2.042 -23.970 -0.438 545 2HB HIS 70 2HB HIS 70 -3.101 -23.030 0.589 546 HD1 HIS 70 1HD HIS 70 -3.307 -23.726 3.108 547 HD2 HIS 70 2HD HIS 70 -1.117 -26.338 0.648 548 HE1 HIS 70 1HE HIS 70 -2.200 -25.454 4.666 549 H GLY 71 H GLY 71 -6.214 -23.526 0.299 550 1HA GLY 71 1HA GLY 71 -6.030 -21.379 -1.774 551 2HA GLY 71 2HA GLY 71 -7.566 -21.962 -1.101 552 H HIS 72 H HIS 72 -8.266 -20.909 0.585 553 HA HIS 72 HA HIS 72 -8.665 -19.249 1.970 554 1HB HIS 72 1HB HIS 72 -5.672 -18.980 2.461 555 2HB HIS 72 2HB HIS 72 -6.903 -17.995 3.180 556 HD1 HIS 72 1HD HIS 72 -6.773 -21.900 3.029 557 HD2 HIS 72 2HD HIS 72 -6.789 -18.628 5.671 558 HE1 HIS 72 1HE HIS 72 -6.741 -22.881 5.373 559 H LYS 73 H LYS 73 -8.938 -16.958 1.549 560 HA LYS 73 HA LYS 73 -8.218 -16.256 -1.209 561 1HB LYS 73 1HB LYS 73 -9.567 -14.568 0.930 562 2HB LYS 73 2HB LYS 73 -9.149 -14.013 -0.694 563 1HG LYS 73 1HG LYS 73 -10.507 -16.120 -1.526 564 2HG LYS 73 2HG LYS 73 -11.190 -16.087 0.109 565 1HD LYS 73 1HD LYS 73 -11.620 -13.548 -0.400 566 2HD LYS 73 2HD LYS 73 -11.365 -13.973 -2.089 567 1HE LYS 73 1HE LYS 73 -13.384 -15.320 -0.245 568 2HE LYS 73 2HE LYS 73 -13.764 -13.903 -1.233 569 1HZ LYS 73 1HZ LYS 73 -13.756 -15.173 -3.144 570 2HZ LYS 73 2HZ LYS 73 -12.743 -16.334 -2.569 571 3HZ LYS 73 3HZ LYS 73 -14.281 -16.285 -2.077 572 H VAL 74 H VAL 74 -6.081 -16.285 -1.415 573 HA VAL 74 HA VAL 74 -4.305 -14.609 0.170 574 HB VAL 74 HB VAL 74 -2.579 -15.507 -1.219 575 1HG1 VAL 74 1HG1 VAL 74 -2.720 -17.829 -0.784 576 2HG1 VAL 74 2HG1 VAL 74 -3.991 -17.232 0.302 577 3HG1 VAL 74 3HG1 VAL 74 -4.424 -17.923 -1.245 578 1HG2 VAL 74 1HG2 VAL 74 -2.941 -16.920 -3.171 579 2HG2 VAL 74 2HG2 VAL 74 -4.665 -16.458 -3.185 580 3HG2 VAL 74 3HG2 VAL 74 -3.395 -15.233 -3.420 581 H VAL 75 H VAL 75 -2.917 -12.864 -0.969 582 HA VAL 75 HA VAL 75 -3.969 -11.885 -3.469 583 HB VAL 75 HB VAL 75 -4.142 -9.548 -2.782 584 1HG1 VAL 75 1HG1 VAL 75 -6.066 -11.032 -1.018 585 2HG1 VAL 75 2HG1 VAL 75 -6.267 -9.530 -1.981 586 3HG1 VAL 75 3HG1 VAL 75 -6.230 -11.069 -2.772 587 1HG2 VAL 75 1HG2 VAL 75 -4.388 -9.059 -0.322 588 2HG2 VAL 75 2HG2 VAL 75 -3.474 -10.565 -0.063 589 3HG2 VAL 75 3HG2 VAL 75 -2.765 -9.255 -1.000 590 H GLU 76 H GLU 76 -2.435 -9.719 -3.946 591 HA GLU 76 HA GLU 76 0.318 -10.412 -3.288 592 1HB GLU 76 1HB GLU 76 0.947 -10.840 -5.541 593 2HB GLU 76 2HB GLU 76 -0.338 -11.953 -5.124 594 1HG GLU 76 1HG GLU 76 -1.983 -10.500 -6.312 595 2HG GLU 76 2HG GLU 76 -0.664 -9.481 -6.871 596 H LEU 77 H LEU 77 1.747 -8.816 -4.199 597 HA LEU 77 HA LEU 77 0.661 -6.102 -3.706 598 1HB LEU 77 1HB LEU 77 3.427 -7.318 -3.967 599 2HB LEU 77 2HB LEU 77 3.234 -5.580 -4.106 600 HG LEU 77 HG LEU 77 2.230 -7.110 -1.687 601 1HD1 LEU 77 1HD1 LEU 77 4.703 -7.400 -2.012 602 2HD1 LEU 77 2HD1 LEU 77 4.866 -5.622 -2.036 603 3HD1 LEU 77 3HD1 LEU 77 4.298 -6.455 -0.580 604 1HD2 LEU 77 1HD2 LEU 77 1.280 -4.824 -1.951 605 2HD2 LEU 77 2HD2 LEU 77 2.458 -4.857 -0.620 606 3HD2 LEU 77 3HD2 LEU 77 2.915 -4.162 -2.175 607 H VAL 78 H VAL 78 0.324 -4.575 -5.286 608 HA VAL 78 HA VAL 78 1.500 -4.903 -7.966 609 HB VAL 78 HB VAL 78 -1.430 -4.166 -7.688 610 1HG1 VAL 78 1HG1 VAL 78 0.026 -5.815 -9.791 611 2HG1 VAL 78 2HG1 VAL 78 -1.676 -5.326 -9.821 612 3HG1 VAL 78 3HG1 VAL 78 -0.405 -4.092 -9.935 613 1HG2 VAL 78 1HG2 VAL 78 -2.072 -6.513 -8.036 614 2HG2 VAL 78 2HG2 VAL 78 -0.471 -7.046 -7.541 615 3HG2 VAL 78 3HG2 VAL 78 -1.541 -6.157 -6.404 616 H ALA 79 H ALA 79 1.285 -2.666 -9.111 617 HA ALA 79 HA ALA 79 0.498 -0.432 -7.403 618 1HB ALA 79 1HB ALA 79 3.362 -0.862 -8.360 619 2HB ALA 79 2HB ALA 79 2.726 0.703 -7.789 620 3HB ALA 79 3HB ALA 79 2.819 -0.683 -6.690 621 H GLU 80 H GLU 80 -0.310 1.232 -8.754 622 HA GLU 80 HA GLU 80 0.186 1.050 -11.658 623 1HB GLU 80 1HB GLU 80 -2.357 0.361 -10.282 624 2HB GLU 80 2HB GLU 80 -2.517 1.488 -11.623 625 1HG GLU 80 1HG GLU 80 -1.192 -1.225 -11.885 626 2HG GLU 80 2HG GLU 80 -2.901 -0.881 -12.182 627 H MET 81 H MET 81 0.566 3.006 -12.380 628 HA MET 81 HA MET 81 0.897 5.229 -10.897 629 1HB MET 81 1HB MET 81 2.098 4.910 -12.919 630 2HB MET 81 2HB MET 81 0.660 4.470 -13.820 631 1HG MET 81 1HG MET 81 1.263 6.372 -14.811 632 2HG MET 81 2HG MET 81 -0.047 6.880 -13.778 633 1HE MET 81 1HE MET 81 1.791 9.221 -11.228 634 2HE MET 81 2HE MET 81 0.238 8.619 -11.849 635 3HE MET 81 3HE MET 81 1.312 7.547 -10.910 636 H ASP 82 H ASP 82 -1.819 5.035 -13.385 637 HA ASP 82 HA ASP 82 -3.300 7.231 -12.040 638 1HB ASP 82 1HB ASP 82 -3.794 5.474 -14.476 639 2HB ASP 82 2HB ASP 82 -4.889 6.730 -14.006 640 H GLY 83 H GLY 83 -2.899 4.011 -11.311 641 1HA GLY 83 1HA GLY 83 -4.242 2.280 -10.672 642 2HA GLY 83 2HA GLY 83 -5.512 3.463 -10.309 643 H ILE 84 H ILE 84 -4.053 3.012 -13.567 644 HA ILE 84 HA ILE 84 -6.235 2.833 -15.166 645 HB ILE 84 HB ILE 84 -3.498 1.616 -15.190 646 1HG1 ILE 84 1HG1 ILE 84 -4.907 3.371 -17.229 647 2HG1 ILE 84 2HG1 ILE 84 -4.161 3.991 -15.781 648 1HG2 ILE 84 1HG2 ILE 84 -4.474 -0.258 -16.224 649 2HG2 ILE 84 2HG2 ILE 84 -5.556 0.736 -17.218 650 3HG2 ILE 84 3HG2 ILE 84 -3.800 0.708 -17.517 651 1HD1 ILE 84 1HD1 ILE 84 -2.798 2.715 -18.125 652 2HD1 ILE 84 2HD1 ILE 84 -2.469 4.275 -17.330 653 3HD1 ILE 84 3HD1 ILE 84 -2.001 2.782 -16.528 654 H GLN 85 H GLN 85 -4.721 -0.013 -13.648 655 HA GLN 85 HA GLN 85 -7.361 -1.381 -13.708 656 1HB GLN 85 1HB GLN 85 -4.599 -2.344 -14.362 657 2HB GLN 85 2HB GLN 85 -5.469 -3.330 -13.202 658 1HG GLN 85 1HG GLN 85 -5.978 -4.309 -15.226 659 2HG GLN 85 2HG GLN 85 -7.425 -3.422 -14.778 660 1HE2 GLN 85 1HE2 GLN 85 -7.751 -1.187 -15.989 661 2HE2 GLN 85 2HE2 GLN 85 -7.298 -1.322 -17.676 662 H TYR 86 H TYR 86 -7.566 -2.794 -11.887 663 HA TYR 86 HA TYR 86 -7.544 -3.480 -9.775 664 1HB TYR 86 1HB TYR 86 -4.937 -2.051 -9.372 665 2HB TYR 86 2HB TYR 86 -5.558 -3.426 -8.470 666 HD1 TYR 86 1HD TYR 86 -6.442 -5.366 -10.334 667 HD2 TYR 86 2HD TYR 86 -3.152 -2.614 -10.786 668 HE1 TYR 86 1HE TYR 86 -5.426 -6.845 -12.051 669 HE2 TYR 86 2HE TYR 86 -2.147 -4.087 -12.514 670 HH TYR 86 HH TYR 86 -3.065 -6.102 -14.116 671 H GLY 87 H GLY 87 -6.713 0.048 -9.839 672 1HA GLY 87 1HA GLY 87 -7.642 0.626 -7.246 673 2HA GLY 87 2HA GLY 87 -7.644 1.777 -8.603 674 H ARG 88 H ARG 88 -9.484 0.867 -10.268 675 HA ARG 88 HA ARG 88 -12.022 1.299 -9.018 676 1HB ARG 88 1HB ARG 88 -11.078 1.900 -11.344 677 2HB ARG 88 2HB ARG 88 -11.450 0.268 -11.833 678 1HG ARG 88 1HG ARG 88 -13.578 2.095 -10.666 679 2HG ARG 88 2HG ARG 88 -12.995 2.330 -12.315 680 1HD ARG 88 1HD ARG 88 -13.500 -0.363 -12.372 681 2HD ARG 88 2HD ARG 88 -14.733 0.185 -11.224 682 HE ARG 88 HE ARG 88 -14.686 1.882 -13.538 683 1HH1 ARG 88 2HH2 ARG 88 -15.636 -1.430 -12.583 684 2HH1 ARG 88 1HH2 ARG 88 -16.904 -1.535 -13.760 685 1HH2 ARG 88 2HH1 ARG 88 -16.142 1.662 -15.152 686 2HH2 ARG 88 1HH1 ARG 88 -17.126 0.244 -15.373 687 H SER 89 H SER 89 -10.359 -1.530 -8.605 688 HA SER 89 HA SER 89 -12.318 -3.257 -10.001 689 1HB SER 89 1HB SER 89 -9.699 -2.871 -10.448 690 2HB SER 89 2HB SER 89 -9.562 -4.164 -9.236 691 HG SER 89 HG SER 89 -9.714 -4.669 -11.566 692 H GLY 90 H GLY 90 -13.524 -4.712 -8.843 693 1HA GLY 90 1HA GLY 90 -13.378 -4.867 -5.992 694 2HA GLY 90 2HA GLY 90 -14.408 -5.824 -7.051 695 H ILE 91 H ILE 91 -11.542 -6.578 -8.343 696 HA ILE 91 HA ILE 91 -10.955 -8.954 -6.815 697 HB ILE 91 HB ILE 91 -10.531 -8.660 -9.174 698 1HG1 ILE 91 1HG1 ILE 91 -8.057 -9.301 -7.677 699 2HG1 ILE 91 2HG1 ILE 91 -9.417 -10.384 -8.077 700 1HG2 ILE 91 1HG2 ILE 91 -9.731 -6.260 -9.086 701 2HG2 ILE 91 2HG2 ILE 91 -8.160 -6.861 -8.554 702 3HG2 ILE 91 3HG2 ILE 91 -8.801 -7.293 -10.155 703 1HD1 ILE 91 1HD1 ILE 91 -8.917 -10.104 -10.487 704 2HD1 ILE 91 2HD1 ILE 91 -7.486 -9.138 -10.045 705 3HD1 ILE 91 3HD1 ILE 91 -7.585 -10.844 -9.577 706 H THR 92 H THR 92 -10.038 -5.536 -6.549 707 HA THR 92 HA THR 92 -7.657 -6.155 -5.089 708 HB THR 92 HB THR 92 -9.085 -3.523 -5.600 709 HG1 THR 92 1HG THR 92 -7.977 -3.383 -7.353 710 1HG2 THR 92 1HG2 THR 92 -6.854 -2.465 -5.240 711 2HG2 THR 92 2HG2 THR 92 -7.490 -3.207 -3.778 712 3HG2 THR 92 3HG2 THR 92 -6.236 -4.043 -4.698 713 H LEU 93 H LEU 93 -7.489 -5.933 -2.797 714 HA LEU 93 HA LEU 93 -10.088 -5.738 -1.343 715 1HB LEU 93 1HB LEU 93 -7.451 -6.731 -0.316 716 2HB LEU 93 2HB LEU 93 -8.999 -6.770 0.519 717 HG LEU 93 HG LEU 93 -8.339 -8.258 -2.069 718 1HD1 LEU 93 1HD1 LEU 93 -8.286 -10.224 -0.718 719 2HD1 LEU 93 2HD1 LEU 93 -7.175 -9.011 -0.044 720 3HD1 LEU 93 3HD1 LEU 93 -8.746 -9.298 0.749 721 1HD2 LEU 93 1HD2 LEU 93 -10.443 -9.524 -1.696 722 2HD2 LEU 93 2HD2 LEU 93 -10.867 -8.439 -0.362 723 3HD2 LEU 93 3HD2 LEU 93 -10.762 -7.824 -2.031 724 H GLY 94 H GLY 94 -6.835 -4.075 -1.543 725 1HA GLY 94 1HA GLY 94 -8.115 -1.632 -1.092 726 2HA GLY 94 2HA GLY 94 -7.367 -2.131 0.425 727 H VAL 95 H VAL 95 -5.989 -0.164 0.014 728 HA VAL 95 HA VAL 95 -3.647 -0.915 -1.639 729 HB VAL 95 HB VAL 95 -5.185 0.669 -2.630 730 1HG1 VAL 95 1HG1 VAL 95 -4.958 2.972 -2.654 731 2HG1 VAL 95 2HG1 VAL 95 -5.958 2.268 -1.386 732 3HG1 VAL 95 3HG1 VAL 95 -4.292 2.903 -0.996 733 1HG2 VAL 95 1HG2 VAL 95 -3.104 2.259 -3.340 734 2HG2 VAL 95 2HG2 VAL 95 -2.226 1.239 -2.241 735 3HG2 VAL 95 3HG2 VAL 95 -3.059 0.540 -3.673 736 H LEU 96 H LEU 96 -1.591 -0.469 -0.853 737 HA LEU 96 HA LEU 96 -1.671 -0.371 2.048 738 1HB LEU 96 1HB LEU 96 0.256 -1.345 -0.062 739 2HB LEU 96 2HB LEU 96 0.870 -0.966 1.540 740 HG LEU 96 HG LEU 96 -0.367 -2.551 2.657 741 1HD1 LEU 96 1HD1 LEU 96 -2.107 -4.020 1.547 742 2HD1 LEU 96 2HD1 LEU 96 -2.570 -2.369 1.966 743 3HD1 LEU 96 3HD1 LEU 96 -2.189 -2.780 0.274 744 1HD2 LEU 96 1HD2 LEU 96 0.300 -3.832 -0.009 745 2HD2 LEU 96 2HD2 LEU 96 1.477 -3.453 1.267 746 3HD2 LEU 96 3HD2 LEU 96 0.218 -4.658 1.567 747 H VAL 97 H VAL 97 -0.640 0.959 3.358 748 HA VAL 97 HA VAL 97 0.809 3.312 2.307 749 HB VAL 97 HB VAL 97 -0.565 4.741 3.816 750 1HG1 VAL 97 1HG1 VAL 97 -2.232 3.280 1.714 751 2HG1 VAL 97 2HG1 VAL 97 -2.466 4.925 2.328 752 3HG1 VAL 97 3HG1 VAL 97 -1.022 4.524 1.379 753 1HG2 VAL 97 1HG2 VAL 97 -1.434 3.106 5.431 754 2HG2 VAL 97 2HG2 VAL 97 -2.772 3.945 4.652 755 3HG2 VAL 97 3HG2 VAL 97 -2.375 2.290 4.165 756 HA PRO 98 HA PRO 98 3.242 2.364 5.905 757 1HB PRO 98 1HB PRO 98 4.113 4.860 6.762 758 2HB PRO 98 2HB PRO 98 4.847 3.905 5.451 759 1HG PRO 98 1HG PRO 98 3.022 6.237 5.273 760 2HG PRO 98 2HG PRO 98 4.309 5.745 4.144 761 1HD PRO 98 1HD PRO 98 1.570 5.347 3.758 762 2HD PRO 98 2HD PRO 98 2.843 4.416 2.942 763 H HIS 99 H HIS 99 2.510 1.825 7.858 764 HA HIS 99 HA HIS 99 0.142 3.163 9.019 765 1HB HIS 99 1HB HIS 99 0.053 0.788 9.219 766 2HB HIS 99 2HB HIS 99 1.702 0.664 9.756 767 HD1 HIS 99 1HD HIS 99 1.331 -0.388 12.148 768 HD2 HIS 99 2HD HIS 99 -0.852 3.142 11.371 769 HE1 HIS 99 1HE HIS 99 0.286 0.335 14.351 770 H VAL 100 H VAL 100 0.816 5.157 9.684 771 HA VAL 100 HA VAL 100 3.094 5.334 11.575 772 HB VAL 100 HB VAL 100 3.457 6.481 9.562 773 1HG1 VAL 100 1HG1 VAL 100 0.875 8.010 9.937 774 2HG1 VAL 100 2HG1 VAL 100 2.117 8.361 8.726 775 3HG1 VAL 100 3HG1 VAL 100 1.235 6.843 8.641 776 1HG2 VAL 100 1HG2 VAL 100 4.153 7.581 11.719 777 2HG2 VAL 100 2HG2 VAL 100 4.026 8.643 10.306 778 3HG2 VAL 100 3HG2 VAL 100 2.755 8.667 11.544 779 H GLY 101 H GLY 101 1.136 4.200 12.835 780 1HA GLY 101 1HA GLY 101 0.094 4.353 14.837 781 2HA GLY 101 2HA GLY 101 0.797 5.967 14.963 782 H GLU 102 H GLU 102 -1.352 5.521 12.321 783 HA GLU 102 HA GLU 102 -2.856 7.733 13.150 784 1HB GLU 102 1HB GLU 102 -3.452 5.773 10.925 785 2HB GLU 102 2HB GLU 102 -4.033 7.406 11.004 786 1HG GLU 102 1HG GLU 102 -1.081 6.671 10.768 787 2HG GLU 102 2HG GLU 102 -2.156 6.983 9.444 788 H THR 103 H THR 103 -3.279 4.749 14.248 789 HA THR 103 HA THR 103 -4.750 3.706 15.614 790 HB THR 103 HB THR 103 -5.797 6.441 15.689 791 HG1 THR 103 1HG THR 103 -4.337 5.293 17.147 792 1HG2 THR 103 1HG2 THR 103 -7.642 4.153 16.513 793 2HG2 THR 103 2HG2 THR 103 -7.791 5.846 17.060 794 3HG2 THR 103 3HG2 THR 103 -7.995 5.460 15.363 795 HA PRO 104 HA PRO 104 -7.101 2.077 12.184 796 1HB PRO 104 1HB PRO 104 -7.064 -0.592 12.840 797 2HB PRO 104 2HB PRO 104 -5.669 0.262 12.121 798 1HG PRO 104 1HG PRO 104 -6.192 -0.380 15.033 799 2HG PRO 104 2HG PRO 104 -4.672 -0.579 14.116 800 1HD PRO 104 1HD PRO 104 -5.154 1.586 15.724 801 2HD PRO 104 2HD PRO 104 -4.195 1.715 14.215 802 H ILE 105 H ILE 105 -9.132 1.449 11.844 803 HA ILE 105 HA ILE 105 -11.008 1.236 14.136 804 HB ILE 105 HB ILE 105 -12.737 1.492 12.395 805 1HG1 ILE 105 1HG1 ILE 105 -11.064 0.557 10.519 806 2HG1 ILE 105 2HG1 ILE 105 -12.454 1.542 10.171 807 1HG2 ILE 105 1HG2 ILE 105 -10.660 3.723 12.446 808 2HG2 ILE 105 2HG2 ILE 105 -12.353 3.888 11.950 809 3HG2 ILE 105 3HG2 ILE 105 -11.973 3.433 13.609 810 1HD1 ILE 105 1HD1 ILE 105 -11.167 3.466 9.815 811 2HD1 ILE 105 2HD1 ILE 105 -9.692 2.761 10.495 812 3HD1 ILE 105 3HD1 ILE 105 -10.344 2.166 8.951 813 H ALA 106 H ALA 106 -9.274 -0.794 11.957 814 HA ALA 106 HA ALA 106 -10.758 -3.173 12.658 815 1HB ALA 106 1HB ALA 106 -12.189 -2.141 10.803 816 2HB ALA 106 2HB ALA 106 -10.785 -2.163 9.747 817 3HB ALA 106 3HB ALA 106 -11.461 -3.688 10.316 818 H TYR 107 H TYR 107 -9.857 -5.033 11.305 819 HA TYR 107 HA TYR 107 -7.100 -4.576 10.317 820 1HB TYR 107 1HB TYR 107 -7.978 -6.538 12.463 821 2HB TYR 107 2HB TYR 107 -6.676 -6.944 11.354 822 HD1 TYR 107 1HD TYR 107 -4.518 -5.962 11.474 823 HD2 TYR 107 2HD TYR 107 -7.724 -4.360 13.872 824 HE1 TYR 107 1HE TYR 107 -2.893 -4.573 12.725 825 HE2 TYR 107 2HE TYR 107 -6.074 -3.048 15.188 826 HH TYR 107 HH TYR 107 -2.576 -3.591 14.788 827 H ARG 108 H ARG 108 -6.589 -5.852 8.620 828 HA ARG 108 HA ARG 108 -8.699 -7.655 7.541 829 1HB ARG 108 1HB ARG 108 -7.207 -5.392 6.202 830 2HB ARG 108 2HB ARG 108 -7.876 -6.723 5.254 831 1HG ARG 108 1HG ARG 108 -9.605 -5.158 7.219 832 2HG ARG 108 2HG ARG 108 -9.372 -4.614 5.557 833 1HD ARG 108 1HD ARG 108 -10.284 -6.631 4.661 834 2HD ARG 108 2HD ARG 108 -10.387 -7.376 6.267 835 HE ARG 108 HE ARG 108 -11.881 -5.030 6.467 836 1HH1 ARG 108 2HH2 ARG 108 -11.994 -7.943 4.399 837 2HH1 ARG 108 1HH2 ARG 108 -13.693 -7.770 4.066 838 1HH2 ARG 108 2HH1 ARG 108 -14.052 -4.696 5.681 839 2HH2 ARG 108 1HH1 ARG 108 -14.845 -5.998 4.865 840 H ASN 109 H ASN 109 -7.861 -9.432 6.348 841 HA ASN 109 HA ASN 109 -5.150 -10.231 7.149 842 1HB ASN 109 1HB ASN 109 -6.370 -12.332 7.764 843 2HB ASN 109 2HB ASN 109 -6.657 -10.991 8.848 844 1HD2 ASN 109 1HD2 ASN 109 -8.102 -13.356 6.806 845 2HD2 ASN 109 2HD2 ASN 109 -9.756 -12.763 6.827 846 H VAL 110 H VAL 110 -4.113 -11.343 5.584 847 HA VAL 110 HA VAL 110 -5.555 -12.542 3.320 848 HB VAL 110 HB VAL 110 -4.144 -11.280 1.763 849 1HG1 VAL 110 1HG1 VAL 110 -5.353 -9.166 1.731 850 2HG1 VAL 110 2HG1 VAL 110 -6.449 -10.482 2.172 851 3HG1 VAL 110 3HG1 VAL 110 -5.837 -9.363 3.408 852 1HG2 VAL 110 1HG2 VAL 110 -3.009 -9.183 2.429 853 2HG2 VAL 110 2HG2 VAL 110 -3.369 -9.501 4.127 854 3HG2 VAL 110 3HG2 VAL 110 -2.280 -10.580 3.236 855 H LEU 111 H LEU 111 -3.665 -13.548 1.799 856 HA LEU 111 HA LEU 111 -1.337 -14.355 3.476 857 1HB LEU 111 1HB LEU 111 -2.805 -15.639 1.216 858 2HB LEU 111 2HB LEU 111 -1.175 -16.107 1.598 859 HG LEU 111 HG LEU 111 -2.843 -17.696 2.184 860 1HD1 LEU 111 1HD1 LEU 111 -0.709 -17.486 3.462 861 2HD1 LEU 111 2HD1 LEU 111 -1.674 -16.746 4.765 862 3HD1 LEU 111 3HD1 LEU 111 -1.999 -18.396 4.242 863 1HD2 LEU 111 1HD2 LEU 111 -3.958 -15.715 4.180 864 2HD2 LEU 111 2HD2 LEU 111 -4.738 -16.296 2.684 865 3HD2 LEU 111 3HD2 LEU 111 -4.425 -17.416 4.030 866 H LEU 112 H LEU 112 0.600 -14.423 2.136 867 HA LEU 112 HA LEU 112 0.625 -12.750 -0.334 868 1HB LEU 112 1HB LEU 112 1.915 -12.085 2.032 869 2HB LEU 112 2HB LEU 112 3.134 -13.083 1.268 870 HG LEU 112 HG LEU 112 1.957 -10.498 0.261 871 1HD1 LEU 112 1HD1 LEU 112 3.758 -10.397 1.945 872 2HD1 LEU 112 2HD1 LEU 112 4.803 -11.367 0.890 873 3HD1 LEU 112 3HD1 LEU 112 4.272 -9.742 0.386 874 1HD2 LEU 112 1HD2 LEU 112 3.821 -12.303 -1.310 875 2HD2 LEU 112 2HD2 LEU 112 2.175 -11.767 -1.785 876 3HD2 LEU 112 3HD2 LEU 112 3.487 -10.609 -1.683 877 H ARG 113 H ARG 113 2.024 -13.583 -1.956 878 HA ARG 113 HA ARG 113 2.292 -16.416 -2.220 879 1HB ARG 113 1HB ARG 113 3.647 -14.031 -3.605 880 2HB ARG 113 2HB ARG 113 3.833 -15.715 -4.139 881 1HG ARG 113 1HG ARG 113 1.425 -15.924 -4.347 882 2HG ARG 113 2HG ARG 113 1.192 -14.202 -3.961 883 1HD ARG 113 1HD ARG 113 2.627 -15.351 -6.373 884 2HD ARG 113 2HD ARG 113 0.952 -14.793 -6.304 885 HE ARG 113 HE ARG 113 1.595 -12.667 -6.601 886 1HH1 ARG 113 2HH2 ARG 113 4.628 -14.440 -6.024 887 2HH1 ARG 113 1HH2 ARG 113 5.595 -13.005 -5.903 888 1HH2 ARG 113 2HH1 ARG 113 2.945 -10.801 -6.741 889 2HH2 ARG 113 1HH1 ARG 113 4.625 -10.916 -6.412 890 H LYS 114 H LYS 114 4.146 -17.701 -2.195 891 HA LYS 114 HA LYS 114 6.719 -16.512 -1.491 892 1HB LYS 114 1HB LYS 114 5.254 -18.362 0.284 893 2HB LYS 114 2HB LYS 114 6.730 -19.106 -0.302 894 1HG LYS 114 1HG LYS 114 8.070 -17.192 0.490 895 2HG LYS 114 2HG LYS 114 6.584 -16.368 1.011 896 1HD LYS 114 1HD LYS 114 6.093 -18.298 2.532 897 2HD LYS 114 2HD LYS 114 7.642 -19.019 2.106 898 1HE LYS 114 1HE LYS 114 7.448 -16.185 3.204 899 2HE LYS 114 2HE LYS 114 7.409 -17.586 4.278 900 1HZ LYS 114 1HZ LYS 114 9.653 -16.940 2.462 901 2HZ LYS 114 2HZ LYS 114 9.602 -16.740 4.088 902 3HZ LYS 114 3HZ LYS 114 9.537 -18.261 3.473 903 H ASN 115 H ASN 115 8.381 -17.652 -2.537 904 HA ASN 115 HA ASN 115 7.722 -20.204 -3.922 905 1HB ASN 115 1HB ASN 115 9.295 -17.829 -5.005 906 2HB ASN 115 2HB ASN 115 9.794 -19.473 -5.378 907 1HD2 ASN 115 1HD2 ASN 115 6.295 -18.937 -5.009 908 2HD2 ASN 115 2HD2 ASN 115 6.040 -19.379 -6.673 909 H GLY 116 H GLY 116 10.596 -18.220 -3.205 910 1HA GLY 116 1HA GLY 116 11.024 -19.233 -0.610 911 2HA GLY 116 2HA GLY 116 12.245 -19.869 -1.747 Start of MODEL 5 1 1H GLY 1 H GLY 1 1.320 -23.499 1.392 2 1HA GLY 1 1HA GLY 1 3.892 -22.055 1.695 3 2HA GLY 1 2HA GLY 1 3.060 -22.281 0.141 4 H HIS 2 H HIS 2 3.142 -19.873 0.081 5 HA HIS 2 HA HIS 2 2.415 -17.761 0.356 6 1HB HIS 2 1HB HIS 2 -0.132 -18.684 1.747 7 2HB HIS 2 2HB HIS 2 0.216 -17.193 0.953 8 HD1 HIS 2 1HD HIS 2 -0.060 -20.954 -0.234 9 HD2 HIS 2 2HD HIS 2 -0.835 -16.966 -1.250 10 HE1 HIS 2 1HE HIS 2 -1.154 -21.024 -2.514 11 H VAL 3 H VAL 3 1.867 -16.132 2.287 12 HA VAL 3 HA VAL 3 2.866 -17.094 4.916 13 HB VAL 3 HB VAL 3 3.938 -14.463 4.364 14 1HG1 VAL 3 1HG1 VAL 3 6.076 -15.552 4.885 15 2HG1 VAL 3 2HG1 VAL 3 4.813 -16.117 5.982 16 3HG1 VAL 3 3HG1 VAL 3 5.342 -17.158 4.643 17 1HG2 VAL 3 1HG2 VAL 3 3.940 -14.917 1.969 18 2HG2 VAL 3 2HG2 VAL 3 5.561 -14.819 2.634 19 3HG2 VAL 3 3HG2 VAL 3 4.865 -16.415 2.242 20 H GLN 4 H GLN 4 1.185 -16.550 6.361 21 HA GLN 4 HA GLN 4 -0.678 -14.545 5.608 22 1HB GLN 4 1HB GLN 4 -0.837 -16.461 7.518 23 2HB GLN 4 2HB GLN 4 -0.449 -15.061 8.524 24 1HG GLN 4 1HG GLN 4 -2.351 -13.971 6.840 25 2HG GLN 4 2HG GLN 4 -2.873 -15.647 6.863 26 1HE2 GLN 4 1HE2 GLN 4 -2.461 -12.641 8.733 27 2HE2 GLN 4 2HE2 GLN 4 -3.322 -13.231 10.150 28 H LEU 5 H LEU 5 -1.037 -12.477 6.240 29 HA LEU 5 HA LEU 5 0.920 -11.123 7.935 30 1HB LEU 5 1HB LEU 5 -0.016 -10.250 5.184 31 2HB LEU 5 2HB LEU 5 0.713 -9.131 6.330 32 HG LEU 5 HG LEU 5 2.090 -11.615 5.194 33 1HD1 LEU 5 1HD1 LEU 5 3.450 -10.083 3.894 34 2HD1 LEU 5 2HD1 LEU 5 1.736 -9.806 3.522 35 3HD1 LEU 5 3HD1 LEU 5 2.600 -8.686 4.592 36 1HD2 LEU 5 1HD2 LEU 5 4.164 -10.591 6.163 37 2HD2 LEU 5 2HD2 LEU 5 3.159 -9.364 6.968 38 3HD2 LEU 5 3HD2 LEU 5 3.013 -11.080 7.399 39 H SER 6 H SER 6 -0.063 -9.077 8.865 40 HA SER 6 HA SER 6 -2.974 -8.869 8.624 41 1HB SER 6 1HB SER 6 -1.893 -8.202 11.253 42 2HB SER 6 2HB SER 6 -3.284 -9.169 10.784 43 HG SER 6 HG SER 6 -0.929 -9.859 11.748 44 H LEU 7 H LEU 7 -3.710 -6.791 8.513 45 HA LEU 7 HA LEU 7 -1.740 -4.560 8.670 46 1HB LEU 7 1HB LEU 7 -4.075 -5.038 6.774 47 2HB LEU 7 2HB LEU 7 -3.115 -3.564 6.824 48 HG LEU 7 HG LEU 7 -1.902 -6.294 6.181 49 1HD1 LEU 7 1HD1 LEU 7 -2.074 -5.667 3.812 50 2HD1 LEU 7 2HD1 LEU 7 -3.673 -5.788 4.556 51 3HD1 LEU 7 3HD1 LEU 7 -2.951 -4.190 4.255 52 1HD2 LEU 7 1HD2 LEU 7 -0.121 -4.911 5.136 53 2HD2 LEU 7 2HD2 LEU 7 -0.954 -3.439 5.681 54 3HD2 LEU 7 3HD2 LEU 7 -0.271 -4.573 6.863 55 HA PRO 8 HA PRO 8 -5.182 -2.784 11.173 56 1HB PRO 8 1HB PRO 8 -4.152 -0.298 11.537 57 2HB PRO 8 2HB PRO 8 -3.530 -1.678 12.419 58 1HG PRO 8 1HG PRO 8 -2.373 -0.432 9.927 59 2HG PRO 8 2HG PRO 8 -1.532 -0.886 11.445 60 1HD PRO 8 1HD PRO 8 -1.608 -2.515 9.241 61 2HD PRO 8 2HD PRO 8 -1.551 -3.154 10.892 62 H VAL 9 H VAL 9 -6.993 -1.775 10.261 63 HA VAL 9 HA VAL 9 -6.788 -0.762 7.484 64 HB VAL 9 HB VAL 9 -9.308 -1.283 9.118 65 1HG1 VAL 9 1HG1 VAL 9 -8.824 -0.979 6.113 66 2HG1 VAL 9 2HG1 VAL 9 -10.392 -1.296 6.898 67 3HG1 VAL 9 3HG1 VAL 9 -9.562 0.237 7.175 68 1HG2 VAL 9 1HG2 VAL 9 -7.885 -3.166 7.193 69 2HG2 VAL 9 2HG2 VAL 9 -8.204 -3.441 8.910 70 3HG2 VAL 9 3HG2 VAL 9 -9.555 -3.376 7.779 71 H LEU 10 H LEU 10 -6.725 1.413 7.236 72 HA LEU 10 HA LEU 10 -7.156 3.163 9.626 73 1HB LEU 10 1HB LEU 10 -5.055 3.349 7.436 74 2HB LEU 10 2HB LEU 10 -5.202 4.419 8.833 75 HG LEU 10 HG LEU 10 -4.529 1.456 9.068 76 1HD1 LEU 10 1HD1 LEU 10 -2.625 3.812 9.028 77 2HD1 LEU 10 2HD1 LEU 10 -2.208 2.093 9.267 78 3HD1 LEU 10 3HD1 LEU 10 -2.834 2.647 7.709 79 1HD2 LEU 10 1HD2 LEU 10 -3.673 2.108 11.296 80 2HD2 LEU 10 2HD2 LEU 10 -4.201 3.786 11.012 81 3HD2 LEU 10 3HD2 LEU 10 -5.390 2.488 11.119 82 H GLN 11 H GLN 11 -8.046 5.284 9.048 83 HA GLN 11 HA GLN 11 -9.700 5.123 6.632 84 1HB GLN 11 1HB GLN 11 -9.468 7.353 8.716 85 2HB GLN 11 2HB GLN 11 -10.573 7.321 7.334 86 1HG GLN 11 1HG GLN 11 -11.323 5.053 8.205 87 2HG GLN 11 2HG GLN 11 -10.512 5.465 9.727 88 1HE2 GLN 11 1HE2 GLN 11 -12.533 7.653 7.565 89 2HE2 GLN 11 2HE2 GLN 11 -13.758 7.812 8.825 90 H VAL 12 H VAL 12 -9.572 6.482 4.793 91 HA VAL 12 HA VAL 12 -6.937 7.313 4.027 92 HB VAL 12 HB VAL 12 -8.673 6.647 2.477 93 1HG1 VAL 12 1HG1 VAL 12 -10.700 7.702 3.422 94 2HG1 VAL 12 2HG1 VAL 12 -10.069 9.310 2.998 95 3HG1 VAL 12 3HG1 VAL 12 -10.458 8.131 1.730 96 1HG2 VAL 12 1HG2 VAL 12 -7.776 9.505 1.928 97 2HG2 VAL 12 2HG2 VAL 12 -6.762 8.058 1.782 98 3HG2 VAL 12 3HG2 VAL 12 -8.181 8.256 0.732 99 H ARG 13 H ARG 13 -9.532 8.947 5.820 100 HA ARG 13 HA ARG 13 -8.487 11.581 5.266 101 1HB ARG 13 1HB ARG 13 -10.097 12.426 6.853 102 2HB ARG 13 2HB ARG 13 -10.876 11.205 5.852 103 1HG ARG 13 1HG ARG 13 -10.516 9.543 7.765 104 2HG ARG 13 2HG ARG 13 -9.911 10.886 8.732 105 1HD ARG 13 1HD ARG 13 -12.161 10.590 9.352 106 2HD ARG 13 2HD ARG 13 -12.103 12.063 8.365 107 HE ARG 13 HE ARG 13 -12.686 9.854 6.674 108 1HH1 ARG 13 2HH2 ARG 13 -14.302 11.468 9.427 109 2HH1 ARG 13 1HH2 ARG 13 -15.879 11.321 8.710 110 1HH2 ARG 13 2HH1 ARG 13 -14.791 9.562 5.859 111 2HH2 ARG 13 1HH1 ARG 13 -16.163 9.970 6.835 112 H ASP 14 H ASP 14 -7.982 9.142 7.711 113 HA ASP 14 HA ASP 14 -6.588 10.854 9.578 114 1HB ASP 14 1HB ASP 14 -7.354 7.936 9.321 115 2HB ASP 14 2HB ASP 14 -6.088 8.387 10.435 116 H VAL 15 H VAL 15 -5.869 8.468 7.159 117 HA VAL 15 HA VAL 15 -3.033 8.282 7.473 118 HB VAL 15 HB VAL 15 -4.862 7.518 5.149 119 1HG1 VAL 15 1HG1 VAL 15 -2.013 6.707 5.872 120 2HG1 VAL 15 2HG1 VAL 15 -2.998 6.022 4.546 121 3HG1 VAL 15 3HG1 VAL 15 -2.490 7.707 4.488 122 1HG2 VAL 15 1HG2 VAL 15 -4.881 5.296 6.012 123 2HG2 VAL 15 2HG2 VAL 15 -3.589 5.628 7.199 124 3HG2 VAL 15 3HG2 VAL 15 -5.198 6.269 7.449 125 H LEU 16 H LEU 16 -2.818 10.595 7.797 126 HA LEU 16 HA LEU 16 -2.901 12.624 5.872 127 1HB LEU 16 1HB LEU 16 -0.689 11.831 7.812 128 2HB LEU 16 2HB LEU 16 -0.736 13.333 6.914 129 HG LEU 16 HG LEU 16 -2.764 12.442 9.006 130 1HD1 LEU 16 1HD1 LEU 16 -1.813 14.253 10.357 131 2HD1 LEU 16 2HD1 LEU 16 -0.569 13.082 9.913 132 3HD1 LEU 16 3HD1 LEU 16 -0.657 14.631 9.054 133 1HD2 LEU 16 1HD2 LEU 16 -3.648 14.787 8.807 134 2HD2 LEU 16 2HD2 LEU 16 -2.634 15.002 7.360 135 3HD2 LEU 16 3HD2 LEU 16 -3.948 13.804 7.385 136 H VAL 17 H VAL 17 -0.272 10.140 6.198 137 HA VAL 17 HA VAL 17 0.728 10.922 3.553 138 HB VAL 17 HB VAL 17 2.380 10.970 5.151 139 1HG1 VAL 17 1HG1 VAL 17 1.420 9.713 6.996 140 2HG1 VAL 17 2HG1 VAL 17 1.629 8.183 6.101 141 3HG1 VAL 17 3HG1 VAL 17 3.033 9.114 6.630 142 1HG2 VAL 17 1HG2 VAL 17 3.044 9.922 3.015 143 2HG2 VAL 17 2HG2 VAL 17 4.047 9.429 4.384 144 3HG2 VAL 17 3HG2 VAL 17 2.822 8.315 3.757 145 H ARG 18 H ARG 18 -0.296 10.050 1.947 146 HA ARG 18 HA ARG 18 -1.426 7.324 2.160 147 1HB ARG 18 1HB ARG 18 -1.972 9.689 0.315 148 2HB ARG 18 2HB ARG 18 -2.806 8.156 0.205 149 1HG ARG 18 1HG ARG 18 -3.689 8.365 2.476 150 2HG ARG 18 2HG ARG 18 -2.688 9.819 2.694 151 1HD ARG 18 1HD ARG 18 -3.940 10.797 0.746 152 2HD ARG 18 2HD ARG 18 -5.190 9.602 1.036 153 HE ARG 18 HE ARG 18 -4.755 10.417 3.519 154 1HH1 ARG 18 2HH2 ARG 18 -5.311 12.426 0.676 155 2HH1 ARG 18 1HH2 ARG 18 -5.790 13.810 1.577 156 1HH2 ARG 18 2HH1 ARG 18 -5.513 12.053 4.692 157 2HH2 ARG 18 1HH1 ARG 18 -5.831 13.628 4.027 158 H GLY 19 H GLY 19 1.553 8.021 1.393 159 1HA GLY 19 1HA GLY 19 1.557 6.094 -0.807 160 2HA GLY 19 2HA GLY 19 2.254 7.679 -1.142 161 H PHE 20 H PHE 20 3.515 5.080 -0.993 162 HA PHE 20 HA PHE 20 5.362 5.226 1.354 163 1HB PHE 20 1HB PHE 20 5.165 3.310 -0.995 164 2HB PHE 20 2HB PHE 20 6.409 3.270 0.247 165 HD1 PHE 20 1HD PHE 20 5.604 3.047 2.744 166 HD2 PHE 20 2HD PHE 20 3.371 1.804 -0.744 167 HE1 PHE 20 1HE PHE 20 4.332 1.417 4.098 168 HE2 PHE 20 2HE PHE 20 2.144 0.220 0.597 169 HZ PHE 20 HZ PHE 20 2.559 0.026 3.049 170 H GLY 21 H GLY 21 5.092 6.466 -1.885 171 1HA GLY 21 1HA GLY 21 7.535 7.817 -1.873 172 2HA GLY 21 2HA GLY 21 7.757 6.346 -2.857 173 H ASP 22 H ASP 22 8.013 8.523 -4.243 174 HA ASP 22 HA ASP 22 5.426 9.525 -5.078 175 1HB ASP 22 1HB ASP 22 7.673 10.787 -4.457 176 2HB ASP 22 2HB ASP 22 8.077 10.527 -6.153 177 H SER 23 H SER 23 7.325 7.068 -6.298 178 HA SER 23 HA SER 23 5.861 7.171 -8.866 179 1HB SER 23 1HB SER 23 8.813 6.516 -8.572 180 2HB SER 23 2HB SER 23 7.844 6.071 -9.970 181 HG SER 23 HG SER 23 8.425 8.700 -9.037 182 H VAL 24 H VAL 24 5.766 4.976 -9.867 183 HA VAL 24 HA VAL 24 4.317 3.329 -8.128 184 HB VAL 24 HB VAL 24 5.515 2.623 -10.830 185 1HG1 VAL 24 1HG1 VAL 24 3.092 1.473 -9.450 186 2HG1 VAL 24 2HG1 VAL 24 3.687 1.034 -11.062 187 3HG1 VAL 24 3HG1 VAL 24 4.649 0.621 -9.637 188 1HG2 VAL 24 1HG2 VAL 24 3.237 3.298 -11.632 189 2HG2 VAL 24 2HG2 VAL 24 2.903 3.884 -9.977 190 3HG2 VAL 24 3HG2 VAL 24 4.173 4.646 -10.970 191 H GLU 25 H GLU 25 7.514 2.717 -9.579 192 HA GLU 25 HA GLU 25 7.640 0.199 -8.293 193 1HB GLU 25 1HB GLU 25 9.684 1.934 -9.735 194 2HB GLU 25 2HB GLU 25 10.060 0.294 -9.141 195 1HG GLU 25 1HG GLU 25 7.966 -0.489 -10.428 196 2HG GLU 25 2HG GLU 25 7.985 1.087 -11.224 197 H GLU 26 H GLU 26 8.555 3.355 -7.318 198 HA GLU 26 HA GLU 26 10.486 2.764 -5.230 199 1HB GLU 26 1HB GLU 26 8.634 5.155 -5.521 200 2HB GLU 26 2HB GLU 26 10.080 5.041 -4.532 201 1HG GLU 26 1HG GLU 26 9.891 5.042 -7.565 202 2HG GLU 26 2HG GLU 26 10.591 6.258 -6.503 203 H ALA 27 H ALA 27 7.026 3.648 -5.283 204 HA ALA 27 HA ALA 27 6.493 3.025 -2.615 205 1HB ALA 27 1HB ALA 27 4.184 3.183 -3.246 206 2HB ALA 27 2HB ALA 27 5.087 4.373 -4.187 207 3HB ALA 27 3HB ALA 27 4.559 2.860 -4.958 208 H LEU 28 H LEU 28 6.204 0.888 -5.521 209 HA LEU 28 HA LEU 28 5.261 -1.384 -4.218 210 1HB LEU 28 1HB LEU 28 5.946 -0.767 -6.770 211 2HB LEU 28 2HB LEU 28 7.315 -1.783 -6.375 212 HG LEU 28 HG LEU 28 4.356 -2.465 -6.222 213 1HD1 LEU 28 1HD1 LEU 28 4.843 -3.997 -8.098 214 2HD1 LEU 28 2HD1 LEU 28 5.286 -2.329 -8.512 215 3HD1 LEU 28 3HD1 LEU 28 6.547 -3.498 -8.072 216 1HD2 LEU 28 1HD2 LEU 28 5.164 -4.864 -5.879 217 2HD2 LEU 28 2HD2 LEU 28 6.753 -4.162 -5.489 218 3HD2 LEU 28 3HD2 LEU 28 5.336 -3.777 -4.492 219 H SER 29 H SER 29 8.746 -0.469 -4.624 220 HA SER 29 HA SER 29 9.849 -2.753 -3.286 221 1HB SER 29 1HB SER 29 10.778 0.115 -3.729 222 2HB SER 29 2HB SER 29 11.773 -1.086 -2.922 223 HG SER 29 HG SER 29 11.782 -0.730 -5.416 224 H GLU 30 H GLU 30 9.064 0.551 -2.139 225 HA GLU 30 HA GLU 30 9.962 0.273 0.553 226 1HB GLU 30 1HB GLU 30 7.680 1.825 -0.744 227 2HB GLU 30 2HB GLU 30 8.269 2.131 0.883 228 1HG GLU 30 1HG GLU 30 10.234 2.358 -1.371 229 2HG GLU 30 2HG GLU 30 8.914 3.526 -1.258 230 H ALA 31 H ALA 31 6.836 -0.501 -1.066 231 HA ALA 31 HA ALA 31 5.359 -1.023 1.289 232 1HB ALA 31 1HB ALA 31 5.036 -2.186 -1.501 233 2HB ALA 31 2HB ALA 31 3.807 -2.181 -0.210 234 3HB ALA 31 3HB ALA 31 4.389 -0.645 -0.911 235 H ARG 32 H ARG 32 7.357 -3.234 -0.752 236 HA ARG 32 HA ARG 32 6.952 -5.581 0.917 237 1HB ARG 32 1HB ARG 32 9.189 -4.653 -0.944 238 2HB ARG 32 2HB ARG 32 9.484 -5.988 0.149 239 1HG ARG 32 1HG ARG 32 8.556 -7.438 -1.197 240 2HG ARG 32 2HG ARG 32 7.033 -6.562 -1.180 241 1HD ARG 32 1HD ARG 32 7.852 -5.111 -3.039 242 2HD ARG 32 2HD ARG 32 9.396 -5.987 -3.029 243 HE ARG 32 HE ARG 32 7.251 -7.851 -3.249 244 1HH1 ARG 32 2HH2 ARG 32 8.941 -5.449 -5.406 245 2HH1 ARG 32 1HH2 ARG 32 8.214 -6.160 -6.797 246 1HH2 ARG 32 2HH1 ARG 32 6.569 -8.765 -5.048 247 2HH2 ARG 32 1HH1 ARG 32 6.868 -8.123 -6.648 248 H GLU 33 H GLU 33 9.169 -2.797 1.233 249 HA GLU 33 HA GLU 33 10.506 -3.965 3.433 250 1HB GLU 33 1HB GLU 33 10.390 -1.342 2.027 251 2HB GLU 33 2HB GLU 33 10.825 -1.208 3.728 252 1HG GLU 33 1HG GLU 33 12.779 -2.297 3.466 253 2HG GLU 33 2HG GLU 33 12.199 -3.381 2.195 254 H HIS 34 H HIS 34 7.735 -1.672 3.323 255 HA HIS 34 HA HIS 34 7.624 -1.424 6.196 256 1HB HIS 34 1HB HIS 34 5.649 -0.770 3.989 257 2HB HIS 34 2HB HIS 34 5.334 -0.487 5.704 258 HD1 HIS 34 1HD HIS 34 8.048 0.622 3.136 259 HD2 HIS 34 2HD HIS 34 6.050 1.795 6.661 260 HE1 HIS 34 1HE HIS 34 8.881 2.978 3.702 261 H LEU 35 H LEU 35 6.179 -3.692 3.852 262 HA LEU 35 HA LEU 35 4.562 -5.083 5.806 263 1HB LEU 35 1HB LEU 35 5.857 -5.992 3.190 264 2HB LEU 35 2HB LEU 35 4.792 -7.013 4.140 265 HG LEU 35 HG LEU 35 3.930 -4.380 2.865 266 1HD1 LEU 35 1HD1 LEU 35 4.455 -6.116 1.199 267 2HD1 LEU 35 2HD1 LEU 35 3.420 -7.279 2.059 268 3HD1 LEU 35 3HD1 LEU 35 2.708 -5.830 1.288 269 1HD2 LEU 35 1HD2 LEU 35 2.311 -6.524 4.253 270 2HD2 LEU 35 2HD2 LEU 35 2.632 -4.881 4.841 271 3HD2 LEU 35 3HD2 LEU 35 1.679 -5.110 3.376 272 H LYS 36 H LYS 36 8.028 -5.258 4.898 273 HA LYS 36 HA LYS 36 8.625 -7.655 6.298 274 1HB LYS 36 1HB LYS 36 10.024 -5.767 4.661 275 2HB LYS 36 2HB LYS 36 10.795 -5.654 6.208 276 1HG LYS 36 1HG LYS 36 12.036 -7.345 5.311 277 2HG LYS 36 2HG LYS 36 10.776 -8.259 6.152 278 1HD LYS 36 1HD LYS 36 10.904 -9.239 3.999 279 2HD LYS 36 2HD LYS 36 9.471 -8.196 3.951 280 1HE LYS 36 1HE LYS 36 10.625 -6.482 2.716 281 2HE LYS 36 2HE LYS 36 12.191 -7.222 3.047 282 1HZ LYS 36 1HZ LYS 36 11.550 -7.675 0.813 283 2HZ LYS 36 2HZ LYS 36 11.580 -9.073 1.678 284 3HZ LYS 36 3HZ LYS 36 10.124 -8.393 1.321 285 H ASN 37 H ASN 37 8.937 -4.218 7.154 286 HA ASN 37 HA ASN 37 9.801 -4.562 9.865 287 1HB ASN 37 1HB ASN 37 8.220 -2.308 8.538 288 2HB ASN 37 2HB ASN 37 8.777 -2.261 10.203 289 1HD2 ASN 37 1HD2 ASN 37 10.011 -2.496 6.798 290 2HD2 ASN 37 2HD2 ASN 37 11.472 -1.647 7.124 291 H GLY 38 H GLY 38 6.611 -4.021 8.415 292 1HA GLY 38 1HA GLY 38 4.641 -5.297 9.132 293 2HA GLY 38 2HA GLY 38 5.172 -5.066 10.809 294 H THR 39 H THR 39 5.985 -2.270 9.116 295 HA THR 39 HA THR 39 3.951 -0.725 10.542 296 HB THR 39 HB THR 39 5.570 1.121 9.945 297 HG1 THR 39 1HG THR 39 7.459 0.629 9.060 298 1HG2 THR 39 1HG2 THR 39 6.706 -1.316 11.415 299 2HG2 THR 39 2HG2 THR 39 7.394 0.311 11.470 300 3HG2 THR 39 3HG2 THR 39 5.779 0.030 12.109 301 H CYS 40 H CYS 40 2.732 -2.073 8.580 302 HA CYS 40 HA CYS 40 2.237 -0.101 6.409 303 1HB CYS 40 1HB CYS 40 3.634 -1.872 5.516 304 2HB CYS 40 2HB CYS 40 2.602 -3.105 6.237 305 HG CYS 40 HG CYS 40 0.426 -2.361 4.893 306 H GLY 41 H GLY 41 0.049 0.149 5.981 307 1HA GLY 41 1HA GLY 41 -1.933 -1.429 7.521 308 2HA GLY 41 2HA GLY 41 -1.991 0.320 7.494 309 H LEU 42 H LEU 42 -4.202 -0.656 6.638 310 HA LEU 42 HA LEU 42 -4.161 -1.090 3.688 311 1HB LEU 42 1HB LEU 42 -4.815 -3.069 5.184 312 2HB LEU 42 2HB LEU 42 -6.149 -2.093 5.774 313 HG LEU 42 HG LEU 42 -6.850 -1.889 3.253 314 1HD1 LEU 42 1HD1 LEU 42 -6.040 -3.512 1.728 315 2HD1 LEU 42 2HD1 LEU 42 -4.578 -2.980 2.563 316 3HD1 LEU 42 3HD1 LEU 42 -5.309 -4.511 3.005 317 1HD2 LEU 42 1HD2 LEU 42 -8.055 -4.029 3.323 318 2HD2 LEU 42 2HD2 LEU 42 -7.058 -4.567 4.695 319 3HD2 LEU 42 3HD2 LEU 42 -8.155 -3.182 4.868 320 H VAL 43 H VAL 43 -5.231 0.403 2.513 321 HA VAL 43 HA VAL 43 -7.391 2.015 3.755 322 HB VAL 43 HB VAL 43 -5.292 2.617 1.642 323 1HG1 VAL 43 1HG1 VAL 43 -7.390 3.445 0.663 324 2HG1 VAL 43 2HG1 VAL 43 -7.749 4.348 2.137 325 3HG1 VAL 43 3HG1 VAL 43 -6.337 4.771 1.156 326 1HG2 VAL 43 1HG2 VAL 43 -6.159 4.150 4.135 327 2HG2 VAL 43 2HG2 VAL 43 -4.755 3.090 4.027 328 3HG2 VAL 43 3HG2 VAL 43 -4.813 4.568 3.055 329 H GLU 44 H GLU 44 -9.432 1.450 2.980 330 HA GLU 44 HA GLU 44 -9.542 -0.731 1.074 331 1HB GLU 44 1HB GLU 44 -11.898 0.953 1.990 332 2HB GLU 44 2HB GLU 44 -11.902 -0.689 1.373 333 1HG GLU 44 1HG GLU 44 -10.685 -1.466 3.396 334 2HG GLU 44 2HG GLU 44 -10.747 0.154 4.080 335 H LEU 45 H LEU 45 -10.717 -0.631 -0.994 336 HA LEU 45 HA LEU 45 -10.116 1.860 -2.444 337 1HB LEU 45 1HB LEU 45 -10.949 -0.936 -3.220 338 2HB LEU 45 2HB LEU 45 -11.162 0.387 -4.371 339 HG LEU 45 HG LEU 45 -8.492 -0.008 -2.985 340 1HD1 LEU 45 1HD1 LEU 45 -8.925 -2.136 -3.956 341 2HD1 LEU 45 2HD1 LEU 45 -9.478 -1.407 -5.470 342 3HD1 LEU 45 3HD1 LEU 45 -7.757 -1.276 -4.980 343 1HD2 LEU 45 1HD2 LEU 45 -7.661 1.106 -5.047 344 2HD2 LEU 45 2HD2 LEU 45 -9.331 1.342 -5.588 345 3HD2 LEU 45 3HD2 LEU 45 -8.740 2.130 -4.117 346 H GLU 46 H GLU 46 -11.461 3.177 -1.182 347 HA GLU 46 HA GLU 46 -14.339 2.908 -1.588 348 1HB GLU 46 1HB GLU 46 -12.839 5.392 -0.702 349 2HB GLU 46 2HB GLU 46 -14.551 5.078 -0.511 350 1HG GLU 46 1HG GLU 46 -14.134 3.312 1.094 351 2HG GLU 46 2HG GLU 46 -12.393 3.431 0.873 352 H LYS 47 H LYS 47 -15.560 4.398 -2.863 353 HA LYS 47 HA LYS 47 -14.778 4.845 -5.464 354 1HB LYS 47 1HB LYS 47 -17.086 4.932 -4.435 355 2HB LYS 47 2HB LYS 47 -16.754 6.585 -3.916 356 1HG LYS 47 1HG LYS 47 -16.553 7.352 -6.184 357 2HG LYS 47 2HG LYS 47 -16.414 5.691 -6.797 358 1HD LYS 47 1HD LYS 47 -18.757 5.233 -6.027 359 2HD LYS 47 2HD LYS 47 -18.878 6.925 -5.510 360 1HE LYS 47 1HE LYS 47 -19.920 6.623 -7.692 361 2HE LYS 47 2HE LYS 47 -18.482 7.660 -7.834 362 1HZ LYS 47 1HZ LYS 47 -18.709 5.954 -9.558 363 2HZ LYS 47 2HZ LYS 47 -17.275 5.868 -8.740 364 3HZ LYS 47 3HZ LYS 47 -18.463 4.768 -8.425 365 H GLY 48 H GLY 48 -14.709 7.273 -2.846 366 1HA GLY 48 1HA GLY 48 -13.290 9.185 -4.569 367 2HA GLY 48 2HA GLY 48 -13.950 9.469 -2.962 368 H VAL 49 H VAL 49 -11.932 6.561 -3.101 369 HA VAL 49 HA VAL 49 -10.090 7.948 -1.334 370 HB VAL 49 HB VAL 49 -10.748 5.186 -2.066 371 1HG1 VAL 49 1HG1 VAL 49 -7.854 5.745 -1.447 372 2HG1 VAL 49 2HG1 VAL 49 -8.647 4.188 -1.252 373 3HG1 VAL 49 3HG1 VAL 49 -8.508 4.887 -2.862 374 1HG2 VAL 49 1HG2 VAL 49 -9.396 6.257 0.424 375 2HG2 VAL 49 2HG2 VAL 49 -11.134 6.431 0.158 376 3HG2 VAL 49 3HG2 VAL 49 -10.410 4.814 0.289 377 H LEU 50 H LEU 50 -9.696 6.483 -4.555 378 HA LEU 50 HA LEU 50 -6.949 6.932 -4.916 379 1HB LEU 50 1HB LEU 50 -9.367 6.906 -6.769 380 2HB LEU 50 2HB LEU 50 -7.742 7.213 -7.387 381 HG LEU 50 HG LEU 50 -8.943 4.710 -6.283 382 1HD1 LEU 50 1HD1 LEU 50 -7.981 3.717 -8.295 383 2HD1 LEU 50 2HD1 LEU 50 -8.900 5.167 -8.719 384 3HD1 LEU 50 3HD1 LEU 50 -7.127 5.230 -8.673 385 1HD2 LEU 50 1HD2 LEU 50 -6.641 3.657 -6.317 386 2HD2 LEU 50 2HD2 LEU 50 -5.988 5.299 -6.199 387 3HD2 LEU 50 3HD2 LEU 50 -7.026 4.652 -4.912 388 HA PRO 51 HA PRO 51 -7.512 11.309 -6.617 389 1HB PRO 51 1HB PRO 51 -9.899 12.549 -5.468 390 2HB PRO 51 2HB PRO 51 -9.417 12.405 -7.186 391 1HG PRO 51 1HG PRO 51 -11.534 11.050 -5.927 392 2HG PRO 51 2HG PRO 51 -10.749 10.546 -7.474 393 1HD PRO 51 1HD PRO 51 -10.333 9.533 -4.697 394 2HD PRO 51 2HD PRO 51 -10.292 8.630 -6.207 395 H GLN 52 H GLN 52 -8.229 10.293 -3.330 396 HA GLN 52 HA GLN 52 -7.260 12.849 -2.171 397 1HB GLN 52 1HB GLN 52 -8.241 10.286 -0.838 398 2HB GLN 52 2HB GLN 52 -7.750 11.761 -0.012 399 1HG GLN 52 1HG GLN 52 -9.611 12.996 -1.074 400 2HG GLN 52 2HG GLN 52 -10.104 11.563 -1.927 401 1HE2 GLN 52 1HE2 GLN 52 -11.310 10.009 -0.862 402 2HE2 GLN 52 2HE2 GLN 52 -11.806 10.070 0.832 403 H LEU 53 H LEU 53 -6.088 9.767 -3.281 404 HA LEU 53 HA LEU 53 -3.919 9.566 -1.299 405 1HB LEU 53 1HB LEU 53 -4.681 7.940 -3.734 406 2HB LEU 53 2HB LEU 53 -3.250 7.626 -2.781 407 HG LEU 53 HG LEU 53 -5.841 6.534 -2.494 408 1HD1 LEU 53 1HD1 LEU 53 -3.569 6.373 -0.476 409 2HD1 LEU 53 2HD1 LEU 53 -4.853 5.193 -0.717 410 3HD1 LEU 53 3HD1 LEU 53 -3.624 5.433 -1.990 411 1HD2 LEU 53 1HD2 LEU 53 -5.104 7.879 0.091 412 2HD2 LEU 53 2HD2 LEU 53 -6.460 8.421 -0.926 413 3HD2 LEU 53 3HD2 LEU 53 -6.459 6.814 -0.205 414 H GLU 54 H GLU 54 -1.607 9.194 -2.405 415 HA GLU 54 HA GLU 54 -0.999 11.740 -3.607 416 1HB GLU 54 1HB GLU 54 0.742 9.319 -3.055 417 2HB GLU 54 2HB GLU 54 1.316 10.920 -3.504 418 1HG GLU 54 1HG GLU 54 -0.119 10.140 -0.943 419 2HG GLU 54 2HG GLU 54 1.573 10.528 -1.137 420 H GLN 55 H GLN 55 0.098 8.567 -4.983 421 HA GLN 55 HA GLN 55 -1.437 8.903 -7.204 422 1HB GLN 55 1HB GLN 55 0.562 10.675 -7.521 423 2HB GLN 55 2HB GLN 55 1.420 9.162 -8.004 424 1HG GLN 55 1HG GLN 55 0.502 10.020 -10.001 425 2HG GLN 55 2HG GLN 55 -0.275 8.552 -9.495 426 1HE2 GLN 55 1HE2 GLN 55 -2.303 8.542 -9.390 427 2HE2 GLN 55 2HE2 GLN 55 -3.417 9.874 -9.109 428 HA PRO 56 HA PRO 56 1.109 5.150 -7.920 429 1HB PRO 56 1HB PRO 56 3.278 4.303 -6.585 430 2HB PRO 56 2HB PRO 56 3.312 5.421 -8.001 431 1HG PRO 56 1HG PRO 56 3.710 6.078 -5.148 432 2HG PRO 56 2HG PRO 56 4.360 6.887 -6.576 433 1HD PRO 56 1HD PRO 56 2.156 7.820 -5.092 434 2HD PRO 56 2HD PRO 56 2.608 8.313 -6.739 435 H TYR 57 H TYR 57 -0.811 4.801 -6.974 436 HA TYR 57 HA TYR 57 -1.203 3.910 -4.280 437 1HB TYR 57 1HB TYR 57 -3.163 2.961 -6.339 438 2HB TYR 57 2HB TYR 57 -3.433 3.584 -4.783 439 HD1 TYR 57 1HD TYR 57 -3.960 4.218 -8.098 440 HD2 TYR 57 2HD TYR 57 -2.579 6.223 -4.547 441 HE1 TYR 57 1HE TYR 57 -4.489 6.481 -9.130 442 HE2 TYR 57 2HE TYR 57 -3.347 8.439 -5.511 443 HH TYR 57 HH TYR 57 -5.362 8.537 -8.408 444 H VAL 58 H VAL 58 0.102 2.260 -3.646 445 HA VAL 58 HA VAL 58 0.660 -0.128 -5.145 446 HB VAL 58 HB VAL 58 0.994 0.363 -2.163 447 1HG1 VAL 58 1HG1 VAL 58 1.122 -2.056 -2.871 448 2HG1 VAL 58 2HG1 VAL 58 2.406 -1.616 -4.017 449 3HG1 VAL 58 3HG1 VAL 58 2.652 -1.419 -2.277 450 1HG2 VAL 58 1HG2 VAL 58 2.883 0.853 -4.507 451 2HG2 VAL 58 2HG2 VAL 58 2.221 2.059 -3.383 452 3HG2 VAL 58 3HG2 VAL 58 3.366 0.846 -2.801 453 H PHE 59 H PHE 59 -1.090 -1.358 -5.726 454 HA PHE 59 HA PHE 59 -3.386 -1.718 -3.895 455 1HB PHE 59 1HB PHE 59 -2.769 -2.705 -6.711 456 2HB PHE 59 2HB PHE 59 -4.261 -2.964 -5.842 457 HD1 PHE 59 1HD PHE 59 -4.834 -0.261 -4.750 458 HD2 PHE 59 2HD PHE 59 -3.436 -1.521 -8.629 459 HE1 PHE 59 1HE PHE 59 -5.687 1.841 -5.757 460 HE2 PHE 59 2HE PHE 59 -4.466 0.542 -9.638 461 HZ PHE 59 HZ PHE 59 -5.670 2.142 -8.211 462 H ILE 60 H ILE 60 -4.323 -3.731 -3.624 463 HA ILE 60 HA ILE 60 -2.448 -6.023 -3.683 464 HB ILE 60 HB ILE 60 -3.341 -6.813 -1.597 465 1HG1 ILE 60 1HG1 ILE 60 -4.951 -4.284 -1.318 466 2HG1 ILE 60 2HG1 ILE 60 -5.589 -5.876 -1.645 467 1HG2 ILE 60 1HG2 ILE 60 -2.177 -5.270 -0.131 468 2HG2 ILE 60 2HG2 ILE 60 -1.323 -5.481 -1.669 469 3HG2 ILE 60 3HG2 ILE 60 -2.292 -4.009 -1.372 470 1HD1 ILE 60 1HD1 ILE 60 -4.140 -5.189 0.892 471 2HD1 ILE 60 2HD1 ILE 60 -5.885 -5.411 0.653 472 3HD1 ILE 60 3HD1 ILE 60 -4.799 -6.780 0.436 473 H LYS 61 H LYS 61 -3.263 -7.730 -4.750 474 HA LYS 61 HA LYS 61 -6.205 -7.786 -5.252 475 1HB LYS 61 1HB LYS 61 -5.466 -8.740 -7.548 476 2HB LYS 61 2HB LYS 61 -5.510 -6.995 -7.342 477 1HG LYS 61 1HG LYS 61 -3.214 -6.859 -7.519 478 2HG LYS 61 2HG LYS 61 -2.916 -8.474 -6.933 479 1HD LYS 61 1HD LYS 61 -2.431 -8.436 -9.348 480 2HD LYS 61 2HD LYS 61 -3.822 -9.454 -9.034 481 1HE LYS 61 1HE LYS 61 -5.324 -7.552 -9.649 482 2HE LYS 61 2HE LYS 61 -3.870 -6.716 -10.207 483 1HZ LYS 61 1HZ LYS 61 -5.040 -7.972 -11.966 484 2HZ LYS 61 2HZ LYS 61 -3.528 -8.609 -11.787 485 3HZ LYS 61 3HZ LYS 61 -4.864 -9.362 -11.189 486 H ARG 62 H ARG 62 -7.138 -9.841 -5.412 487 HA ARG 62 HA ARG 62 -5.626 -11.766 -3.867 488 1HB ARG 62 1HB ARG 62 -7.682 -13.162 -3.959 489 2HB ARG 62 2HB ARG 62 -7.750 -11.648 -3.063 490 1HG ARG 62 1HG ARG 62 -8.937 -10.569 -4.590 491 2HG ARG 62 2HG ARG 62 -8.676 -11.633 -5.951 492 1HD ARG 62 1HD ARG 62 -10.096 -13.260 -5.316 493 2HD ARG 62 2HD ARG 62 -9.924 -12.964 -3.583 494 HE ARG 62 HE ARG 62 -11.357 -10.800 -4.373 495 1HH1 ARG 62 2HH2 ARG 62 -11.864 -14.273 -5.178 496 2HH1 ARG 62 1HH2 ARG 62 -13.584 -14.133 -4.959 497 1HH2 ARG 62 2HH1 ARG 62 -13.594 -10.675 -4.489 498 2HH2 ARG 62 1HH1 ARG 62 -14.555 -12.108 -4.806 499 H SER 63 H SER 63 -4.218 -12.194 -5.062 500 HA SER 63 HA SER 63 -2.816 -13.279 -6.637 501 1HB SER 63 1HB SER 63 -3.224 -14.770 -4.729 502 2HB SER 63 2HB SER 63 -4.307 -15.717 -5.853 503 HG SER 63 HG SER 63 -2.546 -16.237 -7.036 504 H ASP 64 H ASP 64 -3.576 -12.351 -8.440 505 HA ASP 64 HA ASP 64 -5.775 -13.042 -9.906 506 1HB ASP 64 1HB ASP 64 -4.739 -10.994 -10.438 507 2HB ASP 64 2HB ASP 64 -3.111 -11.662 -10.355 508 H ALA 65 H ALA 65 -2.456 -14.292 -10.206 509 HA ALA 65 HA ALA 65 -3.363 -16.613 -11.753 510 1HB ALA 65 1HB ALA 65 -1.240 -17.590 -11.091 511 2HB ALA 65 2HB ALA 65 -1.004 -16.028 -11.902 512 3HB ALA 65 3HB ALA 65 -0.837 -16.151 -10.126 513 H LEU 66 H LEU 66 -5.028 -17.490 -10.709 514 HA LEU 66 HA LEU 66 -5.394 -17.755 -7.907 515 1HB LEU 66 1HB LEU 66 -6.839 -19.806 -8.640 516 2HB LEU 66 2HB LEU 66 -7.386 -18.181 -8.909 517 HG LEU 66 HG LEU 66 -5.851 -19.379 -11.190 518 1HD1 LEU 66 1HD1 LEU 66 -7.135 -21.334 -10.589 519 2HD1 LEU 66 2HD1 LEU 66 -8.594 -20.350 -10.342 520 3HD1 LEU 66 3HD1 LEU 66 -7.919 -20.554 -11.972 521 1HD2 LEU 66 1HD2 LEU 66 -8.405 -17.733 -10.856 522 2HD2 LEU 66 2HD2 LEU 66 -6.816 -17.148 -11.378 523 3HD2 LEU 66 3HD2 LEU 66 -7.754 -18.236 -12.415 524 H SER 67 H SER 67 -3.815 -18.692 -6.624 525 HA SER 67 HA SER 67 -2.254 -20.929 -7.519 526 1HB SER 67 1HB SER 67 -1.380 -20.567 -5.084 527 2HB SER 67 2HB SER 67 -1.094 -19.316 -6.307 528 HG SER 67 HG SER 67 -2.064 -18.746 -4.084 529 H THR 68 H THR 68 -3.942 -20.619 -4.364 530 HA THR 68 HA THR 68 -4.107 -23.428 -3.987 531 HB THR 68 HB THR 68 -5.758 -21.217 -2.703 532 HG1 THR 68 1HG THR 68 -3.868 -20.517 -2.296 533 1HG2 THR 68 1HG2 THR 68 -5.755 -22.462 -0.657 534 2HG2 THR 68 2HG2 THR 68 -6.453 -23.473 -1.913 535 3HG2 THR 68 3HG2 THR 68 -4.787 -23.752 -1.368 536 H ASN 69 H ASN 69 -6.035 -24.780 -3.869 537 HA ASN 69 HA ASN 69 -7.991 -24.527 -5.930 538 1HB ASN 69 1HB ASN 69 -9.334 -26.157 -4.472 539 2HB ASN 69 2HB ASN 69 -7.822 -26.683 -5.191 540 1HD2 ASN 69 1HD2 ASN 69 -7.187 -28.277 -3.774 541 2HD2 ASN 69 2HD2 ASN 69 -6.886 -28.052 -2.089 542 H HIS 70 H HIS 70 -8.504 -23.909 -2.389 543 HA HIS 70 HA HIS 70 -9.599 -21.319 -3.192 544 1HB HIS 70 1HB HIS 70 -11.664 -22.560 -3.228 545 2HB HIS 70 2HB HIS 70 -11.316 -23.339 -1.698 546 HD1 HIS 70 1HD HIS 70 -12.805 -22.270 0.196 547 HD2 HIS 70 2HD HIS 70 -11.354 -19.547 -2.711 548 HE1 HIS 70 1HE HIS 70 -13.712 -20.000 0.832 549 H GLY 71 H GLY 71 -9.791 -23.244 -0.215 550 1HA GLY 71 1HA GLY 71 -9.344 -22.792 1.891 551 2HA GLY 71 2HA GLY 71 -7.726 -22.350 1.323 552 H HIS 72 H HIS 72 -7.419 -20.031 0.740 553 HA HIS 72 HA HIS 72 -8.916 -18.223 2.602 554 1HB HIS 72 1HB HIS 72 -5.880 -18.497 2.456 555 2HB HIS 72 2HB HIS 72 -6.791 -17.389 3.461 556 HD1 HIS 72 1HD HIS 72 -7.078 -21.335 3.263 557 HD2 HIS 72 2HD HIS 72 -6.346 -18.087 5.852 558 HE1 HIS 72 1HE HIS 72 -6.732 -22.326 5.540 559 H LYS 73 H LYS 73 -9.278 -16.251 1.621 560 HA LYS 73 HA LYS 73 -8.285 -15.830 -1.075 561 1HB LYS 73 1HB LYS 73 -9.793 -13.913 0.753 562 2HB LYS 73 2HB LYS 73 -9.420 -13.663 -0.962 563 1HG LYS 73 1HG LYS 73 -10.585 -16.058 -1.218 564 2HG LYS 73 2HG LYS 73 -11.346 -15.628 0.310 565 1HD LYS 73 1HD LYS 73 -11.444 -13.924 -2.215 566 2HD LYS 73 2HD LYS 73 -12.654 -15.137 -1.787 567 1HE LYS 73 1HE LYS 73 -13.185 -13.951 0.286 568 2HE LYS 73 2HE LYS 73 -11.956 -12.725 -0.057 569 1HZ LYS 73 1HZ LYS 73 -14.204 -13.264 -1.900 570 2HZ LYS 73 2HZ LYS 73 -14.277 -12.123 -0.702 571 3HZ LYS 73 3HZ LYS 73 -13.178 -11.962 -1.873 572 H VAL 74 H VAL 74 -6.116 -15.822 -1.044 573 HA VAL 74 HA VAL 74 -4.527 -14.164 0.707 574 HB VAL 74 HB VAL 74 -2.657 -15.104 -0.423 575 1HG1 VAL 74 1HG1 VAL 74 -3.036 -17.464 -0.363 576 2HG1 VAL 74 2HG1 VAL 74 -4.304 -16.836 0.697 577 3HG1 VAL 74 3HG1 VAL 74 -4.676 -17.285 -0.965 578 1HG2 VAL 74 1HG2 VAL 74 -4.401 -15.601 -2.823 579 2HG2 VAL 74 2HG2 VAL 74 -2.968 -14.546 -2.656 580 3HG2 VAL 74 3HG2 VAL 74 -2.779 -16.293 -2.612 581 H VAL 75 H VAL 75 -2.807 -12.554 -0.423 582 HA VAL 75 HA VAL 75 -3.803 -11.514 -2.928 583 HB VAL 75 HB VAL 75 -3.436 -9.150 -2.288 584 1HG1 VAL 75 1HG1 VAL 75 -5.597 -10.327 -0.543 585 2HG1 VAL 75 2HG1 VAL 75 -5.483 -8.709 -1.288 586 3HG1 VAL 75 3HG1 VAL 75 -5.732 -10.125 -2.301 587 1HG2 VAL 75 1HG2 VAL 75 -3.552 -8.548 0.143 588 2HG2 VAL 75 2HG2 VAL 75 -3.232 -10.235 0.537 589 3HG2 VAL 75 3HG2 VAL 75 -2.022 -9.300 -0.364 590 H GLU 76 H GLU 76 -2.085 -9.700 -3.636 591 HA GLU 76 HA GLU 76 0.615 -10.410 -2.890 592 1HB GLU 76 1HB GLU 76 1.405 -11.014 -4.980 593 2HB GLU 76 2HB GLU 76 -0.061 -11.947 -4.704 594 1HG GLU 76 1HG GLU 76 -1.341 -10.418 -6.037 595 2HG GLU 76 2HG GLU 76 0.126 -9.540 -6.519 596 H LEU 77 H LEU 77 2.007 -8.702 -4.168 597 HA LEU 77 HA LEU 77 0.764 -6.051 -3.779 598 1HB LEU 77 1HB LEU 77 3.569 -7.031 -4.446 599 2HB LEU 77 2HB LEU 77 3.155 -5.321 -4.501 600 HG LEU 77 HG LEU 77 2.687 -6.983 -1.997 601 1HD1 LEU 77 1HD1 LEU 77 5.141 -5.332 -2.726 602 2HD1 LEU 77 2HD1 LEU 77 4.800 -6.056 -1.145 603 3HD1 LEU 77 3HD1 LEU 77 5.066 -7.104 -2.553 604 1HD2 LEU 77 1HD2 LEU 77 2.818 -4.756 -0.896 605 2HD2 LEU 77 2HD2 LEU 77 3.006 -3.983 -2.478 606 3HD2 LEU 77 3HD2 LEU 77 1.490 -4.814 -2.072 607 H VAL 78 H VAL 78 0.309 -4.563 -5.318 608 HA VAL 78 HA VAL 78 1.417 -4.723 -7.999 609 HB VAL 78 HB VAL 78 -1.580 -4.511 -7.435 610 1HG1 VAL 78 1HG1 VAL 78 -2.031 -4.260 -9.768 611 2HG1 VAL 78 2HG1 VAL 78 -1.294 -2.828 -9.080 612 3HG1 VAL 78 3HG1 VAL 78 -0.320 -3.932 -10.083 613 1HG2 VAL 78 1HG2 VAL 78 0.099 -6.386 -9.103 614 2HG2 VAL 78 2HG2 VAL 78 -0.853 -6.781 -7.652 615 3HG2 VAL 78 3HG2 VAL 78 -1.672 -6.314 -9.160 616 H ALA 79 H ALA 79 0.894 -2.434 -8.961 617 HA ALA 79 HA ALA 79 0.485 -0.181 -7.227 618 1HB ALA 79 1HB ALA 79 3.352 -0.712 -8.125 619 2HB ALA 79 2HB ALA 79 2.739 0.769 -7.340 620 3HB ALA 79 3HB ALA 79 2.773 -0.747 -6.450 621 H GLU 80 H GLU 80 -0.174 1.483 -8.588 622 HA GLU 80 HA GLU 80 0.827 1.691 -11.300 623 1HB GLU 80 1HB GLU 80 -2.100 1.247 -10.713 624 2HB GLU 80 2HB GLU 80 -1.594 2.245 -12.059 625 1HG GLU 80 1HG GLU 80 -1.006 -0.681 -11.577 626 2HG GLU 80 2HG GLU 80 -2.123 0.019 -12.755 627 H MET 81 H MET 81 0.146 3.898 -12.132 628 HA MET 81 HA MET 81 0.462 5.887 -9.995 629 1HB MET 81 1HB MET 81 2.171 6.230 -11.428 630 2HB MET 81 2HB MET 81 1.405 5.424 -12.787 631 1HG MET 81 1HG MET 81 0.082 7.344 -13.302 632 2HG MET 81 2HG MET 81 0.690 8.223 -11.884 633 1HE MET 81 1HE MET 81 3.677 8.160 -11.687 634 2HE MET 81 2HE MET 81 4.144 9.410 -12.868 635 3HE MET 81 3HE MET 81 2.704 9.635 -11.861 636 H ASP 82 H ASP 82 -1.348 5.491 -13.108 637 HA ASP 82 HA ASP 82 -3.327 7.492 -12.118 638 1HB ASP 82 1HB ASP 82 -2.226 7.115 -14.568 639 2HB ASP 82 2HB ASP 82 -3.615 6.057 -14.733 640 H GLY 83 H GLY 83 -2.859 4.622 -11.141 641 1HA GLY 83 1HA GLY 83 -3.769 2.628 -10.803 642 2HA GLY 83 2HA GLY 83 -5.315 3.489 -10.517 643 H ILE 84 H ILE 84 -3.188 2.823 -13.262 644 HA ILE 84 HA ILE 84 -4.916 2.147 -15.260 645 HB ILE 84 HB ILE 84 -2.104 1.175 -14.902 646 1HG1 ILE 84 1HG1 ILE 84 -3.561 3.215 -16.647 647 2HG1 ILE 84 2HG1 ILE 84 -2.575 3.619 -15.248 648 1HG2 ILE 84 1HG2 ILE 84 -4.134 0.713 -17.143 649 2HG2 ILE 84 2HG2 ILE 84 -2.367 0.554 -17.387 650 3HG2 ILE 84 3HG2 ILE 84 -3.194 -0.519 -16.299 651 1HD1 ILE 84 1HD1 ILE 84 -1.647 2.522 -17.913 652 2HD1 ILE 84 2HD1 ILE 84 -1.295 4.071 -17.176 653 3HD1 ILE 84 3HD1 ILE 84 -0.597 2.597 -16.469 654 H GLN 85 H GLN 85 -6.633 1.330 -13.973 655 HA GLN 85 HA GLN 85 -8.200 -0.232 -14.287 656 1HB GLN 85 1HB GLN 85 -6.164 -2.455 -14.670 657 2HB GLN 85 2HB GLN 85 -7.898 -2.507 -14.949 658 1HG GLN 85 1HG GLN 85 -7.670 -0.823 -16.755 659 2HG GLN 85 2HG GLN 85 -5.928 -0.808 -16.553 660 1HE2 GLN 85 1HE2 GLN 85 -4.641 -2.820 -17.145 661 2HE2 GLN 85 2HE2 GLN 85 -5.371 -3.797 -18.387 662 H TYR 86 H TYR 86 -7.471 -2.953 -12.911 663 HA TYR 86 HA TYR 86 -7.376 -3.859 -10.841 664 1HB TYR 86 1HB TYR 86 -5.483 -1.545 -10.346 665 2HB TYR 86 2HB TYR 86 -5.625 -2.971 -9.362 666 HD1 TYR 86 1HD TYR 86 -3.519 -1.442 -11.549 667 HD2 TYR 86 2HD TYR 86 -5.486 -5.257 -11.099 668 HE1 TYR 86 1HE TYR 86 -1.600 -2.558 -12.657 669 HE2 TYR 86 2HE TYR 86 -3.515 -6.338 -12.235 670 HH TYR 86 HH TYR 86 -0.888 -4.757 -13.732 671 H GLY 87 H GLY 87 -7.122 -0.428 -9.728 672 1HA GLY 87 1HA GLY 87 -8.322 -1.035 -7.252 673 2HA GLY 87 2HA GLY 87 -7.980 0.579 -7.880 674 H ARG 88 H ARG 88 -9.760 -0.065 -10.251 675 HA ARG 88 HA ARG 88 -12.417 0.110 -8.894 676 1HB ARG 88 1HB ARG 88 -11.176 1.855 -10.792 677 2HB ARG 88 2HB ARG 88 -12.490 1.071 -11.637 678 1HG ARG 88 1HG ARG 88 -13.361 3.034 -10.644 679 2HG ARG 88 2HG ARG 88 -14.009 1.665 -9.723 680 1HD ARG 88 1HD ARG 88 -11.484 3.062 -8.772 681 2HD ARG 88 2HD ARG 88 -13.026 3.867 -8.530 682 HE ARG 88 HE ARG 88 -12.033 1.479 -7.173 683 1HH1 ARG 88 2HH2 ARG 88 -15.026 3.407 -7.898 684 2HH1 ARG 88 1HH2 ARG 88 -15.850 2.717 -6.524 685 1HH2 ARG 88 2HH1 ARG 88 -13.337 0.642 -5.356 686 2HH2 ARG 88 1HH1 ARG 88 -14.938 1.260 -5.179 687 H SER 89 H SER 89 -11.059 -2.443 -9.510 688 HA SER 89 HA SER 89 -13.387 -3.536 -10.960 689 1HB SER 89 1HB SER 89 -11.117 -3.453 -12.261 690 2HB SER 89 2HB SER 89 -10.625 -4.788 -11.182 691 HG SER 89 HG SER 89 -12.088 -4.892 -13.362 692 H GLY 90 H GLY 90 -13.721 -5.869 -10.552 693 1HA GLY 90 1HA GLY 90 -13.740 -6.453 -7.696 694 2HA GLY 90 2HA GLY 90 -14.499 -7.380 -9.001 695 H ILE 91 H ILE 91 -11.548 -6.749 -7.271 696 HA ILE 91 HA ILE 91 -10.532 -9.304 -7.153 697 HB ILE 91 HB ILE 91 -9.942 -9.495 -9.359 698 1HG1 ILE 91 1HG1 ILE 91 -7.402 -8.335 -8.337 699 2HG1 ILE 91 2HG1 ILE 91 -8.099 -9.805 -7.610 700 1HG2 ILE 91 1HG2 ILE 91 -10.267 -7.206 -10.255 701 2HG2 ILE 91 2HG2 ILE 91 -8.850 -6.622 -9.350 702 3HG2 ILE 91 3HG2 ILE 91 -8.664 -7.755 -10.682 703 1HD1 ILE 91 1HD1 ILE 91 -8.072 -10.887 -9.870 704 2HD1 ILE 91 2HD1 ILE 91 -7.141 -9.495 -10.469 705 3HD1 ILE 91 3HD1 ILE 91 -6.487 -10.524 -9.177 706 H THR 92 H THR 92 -9.633 -5.854 -7.473 707 HA THR 92 HA THR 92 -7.469 -6.131 -5.670 708 HB THR 92 HB THR 92 -8.780 -3.556 -6.575 709 HG1 THR 92 1HG THR 92 -8.287 -4.021 -8.513 710 1HG2 THR 92 1HG2 THR 92 -6.803 -3.473 -4.981 711 2HG2 THR 92 2HG2 THR 92 -5.879 -4.380 -6.191 712 3HG2 THR 92 3HG2 THR 92 -6.471 -2.743 -6.574 713 H LEU 93 H LEU 93 -7.416 -5.585 -3.425 714 HA LEU 93 HA LEU 93 -10.103 -5.317 -2.171 715 1HB LEU 93 1HB LEU 93 -7.564 -5.880 -0.703 716 2HB LEU 93 2HB LEU 93 -9.214 -6.107 -0.180 717 HG LEU 93 HG LEU 93 -7.738 -7.716 -2.311 718 1HD1 LEU 93 1HD1 LEU 93 -7.957 -9.524 -0.687 719 2HD1 LEU 93 2HD1 LEU 93 -7.119 -8.148 0.051 720 3HD1 LEU 93 3HD1 LEU 93 -8.831 -8.453 0.429 721 1HD2 LEU 93 1HD2 LEU 93 -9.754 -9.185 -2.326 722 2HD2 LEU 93 2HD2 LEU 93 -10.621 -7.991 -1.330 723 3HD2 LEU 93 3HD2 LEU 93 -10.101 -7.584 -2.987 724 H GLY 94 H GLY 94 -6.819 -3.717 -2.034 725 1HA GLY 94 1HA GLY 94 -8.051 -1.203 -1.260 726 2HA GLY 94 2HA GLY 94 -7.084 -1.966 0.006 727 H VAL 95 H VAL 95 -5.920 0.057 -0.344 728 HA VAL 95 HA VAL 95 -3.622 -0.360 -2.118 729 HB VAL 95 HB VAL 95 -4.817 2.281 -1.166 730 1HG1 VAL 95 1HG1 VAL 95 -2.358 2.445 -1.082 731 2HG1 VAL 95 2HG1 VAL 95 -2.256 1.693 -2.695 732 3HG1 VAL 95 3HG1 VAL 95 -2.932 3.319 -2.493 733 1HG2 VAL 95 1HG2 VAL 95 -5.259 2.923 -3.315 734 2HG2 VAL 95 2HG2 VAL 95 -4.252 1.642 -3.999 735 3HG2 VAL 95 3HG2 VAL 95 -5.837 1.256 -3.263 736 H LEU 96 H LEU 96 -1.607 -0.078 -0.916 737 HA LEU 96 HA LEU 96 -1.904 -0.458 2.028 738 1HB LEU 96 1HB LEU 96 0.422 -0.863 0.112 739 2HB LEU 96 2HB LEU 96 0.581 -0.989 1.838 740 HG LEU 96 HG LEU 96 -1.215 -2.673 0.084 741 1HD1 LEU 96 1HD1 LEU 96 1.170 -3.085 -0.292 742 2HD1 LEU 96 2HD1 LEU 96 1.413 -3.394 1.444 743 3HD1 LEU 96 3HD1 LEU 96 0.402 -4.497 0.466 744 1HD2 LEU 96 1HD2 LEU 96 -2.149 -2.581 2.371 745 2HD2 LEU 96 2HD2 LEU 96 -1.553 -4.189 1.964 746 3HD2 LEU 96 3HD2 LEU 96 -0.607 -3.130 3.020 747 H VAL 97 H VAL 97 -0.762 0.812 3.411 748 HA VAL 97 HA VAL 97 0.657 3.202 2.391 749 HB VAL 97 HB VAL 97 -0.552 4.604 4.104 750 1HG1 VAL 97 1HG1 VAL 97 -2.428 5.090 2.645 751 2HG1 VAL 97 2HG1 VAL 97 -1.025 4.682 1.661 752 3HG1 VAL 97 3HG1 VAL 97 -2.329 3.490 1.893 753 1HG2 VAL 97 1HG2 VAL 97 -2.562 2.308 4.205 754 2HG2 VAL 97 2HG2 VAL 97 -1.463 2.771 5.517 755 3HG2 VAL 97 3HG2 VAL 97 -2.713 3.890 4.992 756 HA PRO 98 HA PRO 98 3.225 2.089 5.889 757 1HB PRO 98 1HB PRO 98 4.274 4.570 6.602 758 2HB PRO 98 2HB PRO 98 4.875 3.532 5.286 759 1HG PRO 98 1HG PRO 98 3.310 6.018 5.068 760 2HG PRO 98 2HG PRO 98 4.390 5.218 3.874 761 1HD PRO 98 1HD PRO 98 1.555 5.200 3.936 762 2HD PRO 98 2HD PRO 98 2.621 4.254 2.865 763 H HIS 99 H HIS 99 2.464 1.686 7.922 764 HA HIS 99 HA HIS 99 0.137 3.194 8.948 765 1HB HIS 99 1HB HIS 99 -0.012 0.815 9.316 766 2HB HIS 99 2HB HIS 99 1.592 0.750 10.011 767 HD1 HIS 99 1HD HIS 99 0.981 0.065 12.551 768 HD2 HIS 99 2HD HIS 99 -1.144 3.382 11.004 769 HE1 HIS 99 1HE HIS 99 -0.246 1.102 14.491 770 H VAL 100 H VAL 100 0.702 5.170 9.814 771 HA VAL 100 HA VAL 100 3.064 5.268 11.657 772 HB VAL 100 HB VAL 100 3.350 7.603 10.901 773 1HG1 VAL 100 1HG1 VAL 100 4.501 7.038 8.852 774 2HG1 VAL 100 2HG1 VAL 100 4.697 5.712 10.008 775 3HG1 VAL 100 3HG1 VAL 100 3.546 5.557 8.663 776 1HG2 VAL 100 1HG2 VAL 100 1.481 6.886 8.604 777 2HG2 VAL 100 2HG2 VAL 100 1.026 7.921 9.982 778 3HG2 VAL 100 3HG2 VAL 100 2.329 8.404 8.885 779 H GLY 101 H GLY 101 0.511 4.529 12.582 780 1HA GLY 101 1HA GLY 101 -0.383 4.875 14.624 781 2HA GLY 101 2HA GLY 101 0.500 6.381 14.776 782 H GLU 102 H GLU 102 -1.743 5.652 12.158 783 HA GLU 102 HA GLU 102 -3.250 8.086 12.655 784 1HB GLU 102 1HB GLU 102 -3.609 6.011 10.481 785 2HB GLU 102 2HB GLU 102 -4.120 7.695 10.441 786 1HG GLU 102 1HG GLU 102 -1.234 6.768 10.500 787 2HG GLU 102 2HG GLU 102 -2.191 7.178 9.103 788 H THR 103 H THR 103 -3.648 5.198 13.932 789 HA THR 103 HA THR 103 -5.181 4.249 15.271 790 HB THR 103 HB THR 103 -6.498 6.845 14.723 791 HG1 THR 103 1HG THR 103 -5.142 7.215 16.138 792 1HG2 THR 103 1HG2 THR 103 -8.102 6.334 16.606 793 2HG2 THR 103 2HG2 THR 103 -8.453 5.531 15.073 794 3HG2 THR 103 3HG2 THR 103 -7.716 4.603 16.381 795 HA PRO 104 HA PRO 104 -7.332 2.155 11.938 796 1HB PRO 104 1HB PRO 104 -7.390 -0.390 13.089 797 2HB PRO 104 2HB PRO 104 -6.081 0.275 12.090 798 1HG PRO 104 1HG PRO 104 -6.285 0.086 15.094 799 2HG PRO 104 2HG PRO 104 -4.841 -0.157 14.066 800 1HD PRO 104 1HD PRO 104 -5.378 2.147 15.471 801 2HD PRO 104 2HD PRO 104 -4.436 2.138 13.949 802 H ILE 105 H ILE 105 -9.333 1.428 11.582 803 HA ILE 105 HA ILE 105 -11.307 1.431 13.806 804 HB ILE 105 HB ILE 105 -12.972 1.318 11.976 805 1HG1 ILE 105 1HG1 ILE 105 -11.212 0.413 10.238 806 2HG1 ILE 105 2HG1 ILE 105 -12.561 1.406 9.745 807 1HG2 ILE 105 1HG2 ILE 105 -12.797 3.704 11.409 808 2HG2 ILE 105 2HG2 ILE 105 -12.436 3.395 13.107 809 3HG2 ILE 105 3HG2 ILE 105 -11.120 3.737 11.984 810 1HD1 ILE 105 1HD1 ILE 105 -10.356 2.008 8.679 811 2HD1 ILE 105 2HD1 ILE 105 -11.243 3.316 9.465 812 3HD1 ILE 105 3HD1 ILE 105 -9.823 2.637 10.261 813 H ALA 106 H ALA 106 -9.477 -0.761 11.783 814 HA ALA 106 HA ALA 106 -10.639 -3.070 13.067 815 1HB ALA 106 1HB ALA 106 -10.986 -2.709 10.036 816 2HB ALA 106 2HB ALA 106 -11.423 -4.155 10.975 817 3HB ALA 106 3HB ALA 106 -12.296 -2.637 11.229 818 H TYR 107 H TYR 107 -9.600 -5.099 11.759 819 HA TYR 107 HA TYR 107 -6.936 -4.409 10.670 820 1HB TYR 107 1HB TYR 107 -7.487 -6.268 12.987 821 2HB TYR 107 2HB TYR 107 -6.206 -6.632 11.846 822 HD1 TYR 107 1HD TYR 107 -7.398 -3.794 14.033 823 HD2 TYR 107 2HD TYR 107 -4.057 -5.753 12.140 824 HE1 TYR 107 1HE TYR 107 -5.813 -2.270 15.217 825 HE2 TYR 107 2HE TYR 107 -2.498 -4.258 13.334 826 HH TYR 107 HH TYR 107 -2.331 -2.854 15.272 827 H ARG 108 H ARG 108 -6.261 -5.863 9.109 828 HA ARG 108 HA ARG 108 -8.247 -7.810 8.021 829 1HB ARG 108 1HB ARG 108 -6.912 -5.511 6.748 830 2HB ARG 108 2HB ARG 108 -7.122 -6.968 5.783 831 1HG ARG 108 1HG ARG 108 -9.478 -5.830 7.343 832 2HG ARG 108 2HG ARG 108 -9.012 -5.182 5.788 833 1HD ARG 108 1HD ARG 108 -9.148 -7.567 4.846 834 2HD ARG 108 2HD ARG 108 -9.932 -8.006 6.365 835 HE ARG 108 HE ARG 108 -11.832 -6.861 5.768 836 1HH1 ARG 108 2HH2 ARG 108 -9.329 -6.153 3.387 837 2HH1 ARG 108 1HH2 ARG 108 -10.319 -5.052 2.466 838 1HH2 ARG 108 2HH1 ARG 108 -13.193 -5.541 4.461 839 2HH2 ARG 108 1HH1 ARG 108 -12.612 -4.838 3.001 840 H ASN 109 H ASN 109 -7.340 -9.668 8.305 841 HA ASN 109 HA ASN 109 -4.451 -10.175 7.999 842 1HB ASN 109 1HB ASN 109 -5.356 -12.610 8.249 843 2HB ASN 109 2HB ASN 109 -5.127 -11.609 9.677 844 1HD2 ASN 109 1HD2 ASN 109 -6.898 -10.888 10.827 845 2HD2 ASN 109 2HD2 ASN 109 -8.532 -11.478 10.555 846 H VAL 110 H VAL 110 -3.673 -11.016 6.137 847 HA VAL 110 HA VAL 110 -5.424 -12.166 4.113 848 HB VAL 110 HB VAL 110 -4.342 -10.814 2.328 849 1HG1 VAL 110 1HG1 VAL 110 -6.650 -10.306 3.085 850 2HG1 VAL 110 2HG1 VAL 110 -6.001 -9.076 4.185 851 3HG1 VAL 110 3HG1 VAL 110 -5.801 -8.895 2.431 852 1HG2 VAL 110 1HG2 VAL 110 -3.338 -8.622 2.802 853 2HG2 VAL 110 2HG2 VAL 110 -3.531 -8.866 4.547 854 3HG2 VAL 110 3HG2 VAL 110 -2.408 -9.881 3.629 855 H LEU 111 H LEU 111 -4.022 -13.496 2.617 856 HA LEU 111 HA LEU 111 -1.381 -14.169 3.863 857 1HB LEU 111 1HB LEU 111 -3.073 -15.304 1.685 858 2HB LEU 111 2HB LEU 111 -1.382 -15.723 1.749 859 HG LEU 111 HG LEU 111 -2.840 -17.459 2.520 860 1HD1 LEU 111 1HD1 LEU 111 -1.407 -16.534 4.980 861 2HD1 LEU 111 2HD1 LEU 111 -1.688 -18.174 4.396 862 3HD1 LEU 111 3HD1 LEU 111 -0.538 -17.128 3.550 863 1HD2 LEU 111 1HD2 LEU 111 -4.127 -17.311 4.609 864 2HD2 LEU 111 2HD2 LEU 111 -3.692 -15.600 4.773 865 3HD2 LEU 111 3HD2 LEU 111 -4.706 -16.129 3.418 866 H LEU 112 H LEU 112 0.475 -14.042 2.559 867 HA LEU 112 HA LEU 112 0.409 -12.308 0.146 868 1HB LEU 112 1HB LEU 112 1.953 -11.465 1.907 869 2HB LEU 112 2HB LEU 112 2.688 -13.025 2.049 870 HG LEU 112 HG LEU 112 3.800 -12.907 -0.001 871 1HD1 LEU 112 1HD1 LEU 112 1.890 -10.692 -0.846 872 2HD1 LEU 112 2HD1 LEU 112 3.416 -11.023 -1.684 873 3HD1 LEU 112 3HD1 LEU 112 2.170 -12.258 -1.653 874 1HD2 LEU 112 1HD2 LEU 112 3.737 -10.041 1.026 875 2HD2 LEU 112 2HD2 LEU 112 4.695 -11.373 1.713 876 3HD2 LEU 112 3HD2 LEU 112 5.034 -10.800 0.074 877 H ARG 113 H ARG 113 0.413 -13.622 -1.641 878 HA ARG 113 HA ARG 113 1.230 -16.394 -1.512 879 1HB ARG 113 1HB ARG 113 0.793 -16.436 -3.795 880 2HB ARG 113 2HB ARG 113 -0.459 -15.448 -3.077 881 1HG ARG 113 1HG ARG 113 0.022 -14.096 -4.816 882 2HG ARG 113 2HG ARG 113 1.348 -13.542 -3.724 883 1HD ARG 113 1HD ARG 113 2.787 -15.265 -4.744 884 2HD ARG 113 2HD ARG 113 1.477 -15.692 -5.873 885 HE ARG 113 HE ARG 113 1.913 -13.100 -6.503 886 1HH1 ARG 113 2HH2 ARG 113 3.735 -16.134 -6.552 887 2HH1 ARG 113 1HH2 ARG 113 4.956 -15.538 -7.611 888 1HH2 ARG 113 2HH1 ARG 113 3.679 -12.204 -7.645 889 2HH2 ARG 113 1HH1 ARG 113 4.681 -13.291 -8.524 890 H LYS 114 H LYS 114 2.951 -17.357 -2.783 891 HA LYS 114 HA LYS 114 5.406 -15.721 -3.081 892 1HB LYS 114 1HB LYS 114 4.988 -18.277 -1.500 893 2HB LYS 114 2HB LYS 114 6.505 -18.050 -2.353 894 1HG LYS 114 1HG LYS 114 6.744 -15.779 -1.246 895 2HG LYS 114 2HG LYS 114 5.331 -16.181 -0.248 896 1HD LYS 114 1HD LYS 114 6.504 -18.144 0.645 897 2HD LYS 114 2HD LYS 114 7.880 -17.847 -0.447 898 1HE LYS 114 1HE LYS 114 8.092 -15.546 0.693 899 2HE LYS 114 2HE LYS 114 6.976 -16.177 1.921 900 1HZ LYS 114 1HZ LYS 114 9.085 -16.630 2.728 901 2HZ LYS 114 2HZ LYS 114 8.639 -18.076 2.079 902 3HZ LYS 114 3HZ LYS 114 9.691 -17.068 1.271 903 H ASN 115 H ASN 115 7.026 -17.443 -4.322 904 HA ASN 115 HA ASN 115 5.543 -18.090 -6.828 905 1HB ASN 115 1HB ASN 115 8.529 -17.851 -6.259 906 2HB ASN 115 2HB ASN 115 7.829 -18.414 -7.781 907 1HD2 ASN 115 1HD2 ASN 115 9.041 -15.621 -6.308 908 2HD2 ASN 115 2HD2 ASN 115 8.198 -14.459 -7.280 909 H GLY 116 H GLY 116 8.456 -19.922 -5.703 910 1HA GLY 116 1HA GLY 116 7.440 -21.943 -4.207 911 2HA GLY 116 2HA GLY 116 7.029 -22.420 -5.867 Start of MODEL 6 1 1H GLY 1 H GLY 1 0.991 -24.356 -0.046 2 1HA GLY 1 1HA GLY 1 2.421 -23.269 1.524 3 2HA GLY 1 2HA GLY 1 2.861 -22.662 -0.089 4 H HIS 2 H HIS 2 3.559 -20.622 0.734 5 HA HIS 2 HA HIS 2 3.241 -18.360 0.848 6 1HB HIS 2 1HB HIS 2 0.245 -18.722 1.230 7 2HB HIS 2 2HB HIS 2 1.069 -17.258 0.895 8 HD1 HIS 2 1HD HIS 2 2.494 -19.883 -1.477 9 HD2 HIS 2 2HD HIS 2 -0.626 -17.071 -1.155 10 HE1 HIS 2 1HE HIS 2 1.458 -19.728 -3.745 11 H VAL 3 H VAL 3 2.508 -16.639 2.505 12 HA VAL 3 HA VAL 3 2.930 -17.591 5.309 13 HB VAL 3 HB VAL 3 3.986 -15.067 5.195 14 1HG1 VAL 3 1HG1 VAL 3 5.099 -16.977 6.249 15 2HG1 VAL 3 2HG1 VAL 3 5.596 -17.586 4.648 16 3HG1 VAL 3 3HG1 VAL 3 6.229 -16.046 5.277 17 1HG2 VAL 3 1HG2 VAL 3 3.816 -14.916 2.798 18 2HG2 VAL 3 2HG2 VAL 3 5.475 -14.729 3.371 19 3HG2 VAL 3 3HG2 VAL 3 4.960 -16.244 2.587 20 H GLN 4 H GLN 4 1.308 -16.746 6.775 21 HA GLN 4 HA GLN 4 -0.659 -14.999 5.580 22 1HB GLN 4 1HB GLN 4 -0.909 -16.930 7.426 23 2HB GLN 4 2HB GLN 4 -0.631 -15.561 8.531 24 1HG GLN 4 1HG GLN 4 -2.491 -14.343 7.407 25 2HG GLN 4 2HG GLN 4 -2.659 -15.677 6.265 26 1HE2 GLN 4 1HE2 GLN 4 -3.955 -14.350 9.052 27 2HE2 GLN 4 2HE2 GLN 4 -4.952 -15.695 9.514 28 H LEU 5 H LEU 5 -1.161 -12.896 6.298 29 HA LEU 5 HA LEU 5 0.710 -11.455 8.036 30 1HB LEU 5 1HB LEU 5 0.065 -10.629 5.163 31 2HB LEU 5 2HB LEU 5 0.769 -9.554 6.361 32 HG LEU 5 HG LEU 5 2.103 -12.077 5.257 33 1HD1 LEU 5 1HD1 LEU 5 2.645 -9.093 4.829 34 2HD1 LEU 5 2HD1 LEU 5 3.646 -10.420 4.226 35 3HD1 LEU 5 3HD1 LEU 5 1.986 -10.215 3.627 36 1HD2 LEU 5 1HD2 LEU 5 4.106 -11.273 6.436 37 2HD2 LEU 5 2HD2 LEU 5 3.176 -9.939 7.162 38 3HD2 LEU 5 3HD2 LEU 5 2.808 -11.613 7.587 39 H SER 6 H SER 6 -0.305 -9.485 8.869 40 HA SER 6 HA SER 6 -3.178 -9.208 8.346 41 1HB SER 6 1HB SER 6 -2.425 -8.934 11.165 42 2HB SER 6 2HB SER 6 -3.694 -9.863 10.406 43 HG SER 6 HG SER 6 -1.741 -10.974 11.585 44 H LEU 7 H LEU 7 -3.827 -7.065 8.280 45 HA LEU 7 HA LEU 7 -1.786 -5.009 9.067 46 1HB LEU 7 1HB LEU 7 -3.766 -4.918 6.752 47 2HB LEU 7 2HB LEU 7 -2.677 -3.613 7.208 48 HG LEU 7 HG LEU 7 -1.806 -6.369 6.225 49 1HD1 LEU 7 1HD1 LEU 7 -1.141 -5.161 4.169 50 2HD1 LEU 7 2HD1 LEU 7 -2.882 -5.026 4.460 51 3HD1 LEU 7 3HD1 LEU 7 -1.814 -3.654 4.828 52 1HD2 LEU 7 1HD2 LEU 7 0.443 -5.392 6.075 53 2HD2 LEU 7 2HD2 LEU 7 -0.146 -3.841 6.715 54 3HD2 LEU 7 3HD2 LEU 7 -0.104 -5.292 7.736 55 HA PRO 8 HA PRO 8 -5.315 -3.080 11.186 56 1HB PRO 8 1HB PRO 8 -4.347 -0.557 11.505 57 2HB PRO 8 2HB PRO 8 -3.732 -1.903 12.460 58 1HG PRO 8 1HG PRO 8 -2.533 -0.644 9.987 59 2HG PRO 8 2HG PRO 8 -1.705 -1.117 11.500 60 1HD PRO 8 1HD PRO 8 -1.754 -2.704 9.234 61 2HD PRO 8 2HD PRO 8 -1.633 -3.350 10.877 62 H VAL 9 H VAL 9 -7.105 -1.955 10.339 63 HA VAL 9 HA VAL 9 -6.944 -0.915 7.568 64 HB VAL 9 HB VAL 9 -9.383 -1.545 9.279 65 1HG1 VAL 9 1HG1 VAL 9 -10.659 -1.309 7.237 66 2HG1 VAL 9 2HG1 VAL 9 -9.740 0.168 7.491 67 3HG1 VAL 9 3HG1 VAL 9 -9.176 -1.001 6.284 68 1HG2 VAL 9 1HG2 VAL 9 -8.258 -3.641 8.795 69 2HG2 VAL 9 2HG2 VAL 9 -9.663 -3.515 7.736 70 3HG2 VAL 9 3HG2 VAL 9 -8.024 -3.186 7.111 71 H LEU 10 H LEU 10 -6.492 1.172 7.553 72 HA LEU 10 HA LEU 10 -7.139 2.957 9.856 73 1HB LEU 10 1HB LEU 10 -5.193 3.301 7.539 74 2HB LEU 10 2HB LEU 10 -5.392 4.415 8.896 75 HG LEU 10 HG LEU 10 -4.381 1.550 9.187 76 1HD1 LEU 10 1HD1 LEU 10 -2.160 2.472 9.416 77 2HD1 LEU 10 2HD1 LEU 10 -2.820 2.916 7.840 78 3HD1 LEU 10 3HD1 LEU 10 -2.763 4.125 9.141 79 1HD2 LEU 10 1HD2 LEU 10 -4.285 3.905 11.127 80 2HD2 LEU 10 2HD2 LEU 10 -5.385 2.524 11.239 81 3HD2 LEU 10 3HD2 LEU 10 -3.652 2.260 11.414 82 H GLN 11 H GLN 11 -7.518 5.310 8.868 83 HA GLN 11 HA GLN 11 -9.481 5.114 6.608 84 1HB GLN 11 1HB GLN 11 -9.115 7.140 8.876 85 2HB GLN 11 2HB GLN 11 -10.174 7.374 7.492 86 1HG GLN 11 1HG GLN 11 -11.133 5.035 8.152 87 2HG GLN 11 2HG GLN 11 -10.457 5.409 9.753 88 1HE2 GLN 11 1HE2 GLN 11 -13.113 5.745 7.710 89 2HE2 GLN 11 2HE2 GLN 11 -13.913 7.115 8.455 90 H VAL 12 H VAL 12 -9.326 6.623 4.865 91 HA VAL 12 HA VAL 12 -6.667 7.260 3.946 92 HB VAL 12 HB VAL 12 -8.519 6.813 2.485 93 1HG1 VAL 12 1HG1 VAL 12 -10.446 7.904 3.537 94 2HG1 VAL 12 2HG1 VAL 12 -9.746 9.500 3.184 95 3HG1 VAL 12 3HG1 VAL 12 -10.229 8.407 1.867 96 1HG2 VAL 12 1HG2 VAL 12 -7.528 9.639 1.992 97 2HG2 VAL 12 2HG2 VAL 12 -6.550 8.168 1.763 98 3HG2 VAL 12 3HG2 VAL 12 -8.010 8.430 0.791 99 H ARG 13 H ARG 13 -8.898 8.891 6.097 100 HA ARG 13 HA ARG 13 -7.749 11.540 5.718 101 1HB ARG 13 1HB ARG 13 -9.287 12.290 7.360 102 2HB ARG 13 2HB ARG 13 -10.146 11.177 6.286 103 1HG ARG 13 1HG ARG 13 -9.700 9.388 8.117 104 2HG ARG 13 2HG ARG 13 -9.196 10.726 9.133 105 1HD ARG 13 1HD ARG 13 -11.703 11.546 8.128 106 2HD ARG 13 2HD ARG 13 -11.893 9.810 8.379 107 HE ARG 13 HE ARG 13 -11.520 10.042 10.661 108 1HH1 ARG 13 2HH2 ARG 13 -11.166 13.186 9.055 109 2HH1 ARG 13 1HH2 ARG 13 -10.629 14.002 10.499 110 1HH2 ARG 13 2HH1 ARG 13 -10.998 11.145 12.551 111 2HH2 ARG 13 1HH1 ARG 13 -10.861 12.867 12.622 112 H ASP 14 H ASP 14 -7.394 8.849 8.012 113 HA ASP 14 HA ASP 14 -5.834 10.325 9.966 114 1HB ASP 14 1HB ASP 14 -6.765 7.465 9.538 115 2HB ASP 14 2HB ASP 14 -5.408 7.756 10.615 116 H VAL 15 H VAL 15 -5.354 8.144 7.296 117 HA VAL 15 HA VAL 15 -2.485 7.906 7.422 118 HB VAL 15 HB VAL 15 -4.381 7.414 5.068 119 1HG1 VAL 15 1HG1 VAL 15 -2.695 6.005 4.261 120 2HG1 VAL 15 2HG1 VAL 15 -1.891 7.497 4.704 121 3HG1 VAL 15 3HG1 VAL 15 -1.713 6.106 5.758 122 1HG2 VAL 15 1HG2 VAL 15 -4.653 5.150 5.802 123 2HG2 VAL 15 2HG2 VAL 15 -3.328 5.247 6.983 124 3HG2 VAL 15 3HG2 VAL 15 -4.854 6.006 7.321 125 H LEU 16 H LEU 16 -2.447 10.272 7.916 126 HA LEU 16 HA LEU 16 -2.667 12.466 6.376 127 1HB LEU 16 1HB LEU 16 -0.205 11.464 7.863 128 2HB LEU 16 2HB LEU 16 -0.459 13.106 7.362 129 HG LEU 16 HG LEU 16 -2.066 11.610 9.457 130 1HD1 LEU 16 1HD1 LEU 16 -0.097 13.924 9.587 131 2HD1 LEU 16 2HD1 LEU 16 -1.059 13.310 10.954 132 3HD1 LEU 16 3HD1 LEU 16 0.140 12.267 10.182 133 1HD2 LEU 16 1HD2 LEU 16 -3.616 13.104 8.344 134 2HD2 LEU 16 2HD2 LEU 16 -3.149 13.818 9.888 135 3HD2 LEU 16 3HD2 LEU 16 -2.420 14.433 8.390 136 H VAL 17 H VAL 17 -0.320 9.797 5.653 137 HA VAL 17 HA VAL 17 0.168 11.081 3.067 138 HB VAL 17 HB VAL 17 2.395 11.124 3.217 139 1HG1 VAL 17 1HG1 VAL 17 1.661 12.437 5.177 140 2HG1 VAL 17 2HG1 VAL 17 2.037 11.006 6.192 141 3HG1 VAL 17 3HG1 VAL 17 3.311 11.804 5.249 142 1HG2 VAL 17 1HG2 VAL 17 2.842 8.772 3.436 143 2HG2 VAL 17 2HG2 VAL 17 3.886 9.654 4.557 144 3HG2 VAL 17 3HG2 VAL 17 2.449 8.805 5.160 145 H ARG 18 H ARG 18 -0.525 9.669 1.540 146 HA ARG 18 HA ARG 18 -0.876 6.849 2.264 147 1HB ARG 18 1HB ARG 18 -2.181 8.323 0.018 148 2HB ARG 18 2HB ARG 18 -2.618 6.782 0.798 149 1HG ARG 18 1HG ARG 18 -4.082 8.010 1.923 150 2HG ARG 18 2HG ARG 18 -2.736 8.383 2.954 151 1HD ARG 18 1HD ARG 18 -2.337 10.406 1.467 152 2HD ARG 18 2HD ARG 18 -3.816 9.975 0.652 153 HE ARG 18 HE ARG 18 -4.707 10.039 3.167 154 1HH1 ARG 18 2HH2 ARG 18 -2.781 12.476 1.441 155 2HH1 ARG 18 1HH2 ARG 18 -2.957 13.650 2.707 156 1HH2 ARG 18 2HH1 ARG 18 -5.148 11.601 4.607 157 2HH2 ARG 18 1HH1 ARG 18 -4.497 13.235 4.437 158 H GLY 19 H GLY 19 1.656 8.290 0.868 159 1HA GLY 19 1HA GLY 19 1.625 6.773 -1.734 160 2HA GLY 19 2HA GLY 19 2.181 8.443 -1.521 161 H PHE 20 H PHE 20 3.008 5.003 -0.942 162 HA PHE 20 HA PHE 20 5.095 5.319 0.862 163 1HB PHE 20 1HB PHE 20 4.512 3.363 -1.392 164 2HB PHE 20 2HB PHE 20 5.898 3.245 -0.345 165 HD1 PHE 20 1HD PHE 20 2.641 2.023 -0.715 166 HD2 PHE 20 2HD PHE 20 5.506 3.353 2.209 167 HE1 PHE 20 1HE PHE 20 1.590 0.600 0.943 168 HE2 PHE 20 2HE PHE 20 4.274 2.066 3.969 169 HZ PHE 20 HZ PHE 20 2.380 0.594 3.303 170 H GLY 21 H GLY 21 4.985 6.348 -2.435 171 1HA GLY 21 1HA GLY 21 7.623 7.440 -2.404 172 2HA GLY 21 2HA GLY 21 7.470 6.098 -3.551 173 H ASP 22 H ASP 22 7.950 8.288 -4.806 174 HA ASP 22 HA ASP 22 5.344 9.494 -5.650 175 1HB ASP 22 1HB ASP 22 7.227 10.928 -4.602 176 2HB ASP 22 2HB ASP 22 8.087 10.689 -6.136 177 H SER 23 H SER 23 7.259 7.093 -6.441 178 HA SER 23 HA SER 23 6.487 7.123 -9.295 179 1HB SER 23 1HB SER 23 9.156 6.547 -8.052 180 2HB SER 23 2HB SER 23 8.586 5.333 -9.194 181 HG SER 23 HG SER 23 8.893 8.108 -9.704 182 H VAL 24 H VAL 24 5.737 4.990 -9.976 183 HA VAL 24 HA VAL 24 4.693 3.301 -7.879 184 HB VAL 24 HB VAL 24 3.400 2.648 -9.501 185 1HG1 VAL 24 1HG1 VAL 24 5.340 3.389 -11.695 186 2HG1 VAL 24 2HG1 VAL 24 3.648 2.903 -11.874 187 3HG1 VAL 24 3HG1 VAL 24 4.025 4.425 -11.057 188 1HG2 VAL 24 1HG2 VAL 24 4.756 0.575 -9.333 189 2HG2 VAL 24 2HG2 VAL 24 3.947 0.772 -10.885 190 3HG2 VAL 24 3HG2 VAL 24 5.685 1.104 -10.751 191 H GLU 25 H GLU 25 7.695 3.262 -9.827 192 HA GLU 25 HA GLU 25 8.452 0.698 -8.829 193 1HB GLU 25 1HB GLU 25 10.134 2.956 -9.987 194 2HB GLU 25 2HB GLU 25 10.700 1.323 -9.633 195 1HG GLU 25 1HG GLU 25 8.408 0.777 -11.107 196 2HG GLU 25 2HG GLU 25 8.888 2.310 -11.815 197 H GLU 26 H GLU 26 8.745 3.843 -7.423 198 HA GLU 26 HA GLU 26 10.454 3.026 -5.175 199 1HB GLU 26 1HB GLU 26 8.482 5.353 -5.535 200 2HB GLU 26 2HB GLU 26 9.428 5.049 -4.069 201 1HG GLU 26 1HG GLU 26 11.532 5.190 -5.358 202 2HG GLU 26 2HG GLU 26 10.618 5.533 -6.820 203 H ALA 27 H ALA 27 6.983 3.816 -5.510 204 HA ALA 27 HA ALA 27 6.274 3.152 -2.980 205 1HB ALA 27 1HB ALA 27 3.972 3.254 -3.750 206 2HB ALA 27 2HB ALA 27 4.921 4.454 -4.624 207 3HB ALA 27 3HB ALA 27 4.471 2.923 -5.421 208 H LEU 28 H LEU 28 6.172 0.862 -5.777 209 HA LEU 28 HA LEU 28 5.009 -1.347 -4.565 210 1HB LEU 28 1HB LEU 28 5.963 -0.737 -7.000 211 2HB LEU 28 2HB LEU 28 7.370 -1.619 -6.452 212 HG LEU 28 HG LEU 28 4.510 -2.538 -6.726 213 1HD1 LEU 28 1HD1 LEU 28 5.363 -3.978 -8.534 214 2HD1 LEU 28 2HD1 LEU 28 5.738 -2.276 -8.836 215 3HD1 LEU 28 3HD1 LEU 28 7.013 -3.364 -8.249 216 1HD2 LEU 28 1HD2 LEU 28 6.892 -4.163 -5.744 217 2HD2 LEU 28 2HD2 LEU 28 5.395 -3.819 -4.858 218 3HD2 LEU 28 3HD2 LEU 28 5.350 -4.879 -6.272 219 H SER 29 H SER 29 8.467 -0.326 -4.489 220 HA SER 29 HA SER 29 9.294 -2.765 -3.100 221 1HB SER 29 1HB SER 29 10.743 -0.254 -4.017 222 2HB SER 29 2HB SER 29 11.523 -1.645 -3.225 223 HG SER 29 HG SER 29 11.246 -1.479 -5.719 224 H GLU 30 H GLU 30 8.675 0.670 -2.315 225 HA GLU 30 HA GLU 30 9.635 0.659 0.403 226 1HB GLU 30 1HB GLU 30 7.382 2.076 -1.090 227 2HB GLU 30 2HB GLU 30 7.835 2.586 0.492 228 1HG GLU 30 1HG GLU 30 9.711 2.567 -1.912 229 2HG GLU 30 2HG GLU 30 8.749 3.927 -1.379 230 H ALA 31 H ALA 31 6.441 0.012 -1.117 231 HA ALA 31 HA ALA 31 4.942 -0.324 1.207 232 1HB ALA 31 1HB ALA 31 3.456 -1.624 -0.340 233 2HB ALA 31 2HB ALA 31 4.022 -0.071 -1.005 234 3HB ALA 31 3HB ALA 31 4.733 -1.595 -1.566 235 H ARG 32 H ARG 32 6.593 -2.794 -0.777 236 HA ARG 32 HA ARG 32 6.282 -5.079 0.891 237 1HB ARG 32 1HB ARG 32 7.137 -4.913 -1.500 238 2HB ARG 32 2HB ARG 32 8.610 -4.193 -0.869 239 1HG ARG 32 1HG ARG 32 9.039 -6.354 0.394 240 2HG ARG 32 2HG ARG 32 7.629 -7.037 -0.466 241 1HD ARG 32 1HD ARG 32 8.672 -6.523 -2.629 242 2HD ARG 32 2HD ARG 32 10.005 -5.711 -1.809 243 HE ARG 32 HE ARG 32 9.398 -8.622 -1.791 244 1HH1 ARG 32 2HH2 ARG 32 11.804 -6.036 -1.775 245 2HH1 ARG 32 1HH2 ARG 32 13.180 -7.049 -1.526 246 1HH2 ARG 32 2HH1 ARG 32 11.225 -10.038 -1.687 247 2HH2 ARG 32 1HH1 ARG 32 12.841 -9.382 -1.601 248 H GLU 33 H GLU 33 8.679 -2.351 1.174 249 HA GLU 33 HA GLU 33 10.107 -3.787 3.181 250 1HB GLU 33 1HB GLU 33 11.468 -2.315 2.052 251 2HB GLU 33 2HB GLU 33 10.179 -1.196 1.710 252 1HG GLU 33 1HG GLU 33 10.272 -0.065 3.644 253 2HG GLU 33 2HG GLU 33 11.228 -1.300 4.476 254 H HIS 34 H HIS 34 7.504 -1.341 3.151 255 HA HIS 34 HA HIS 34 7.549 -0.838 5.982 256 1HB HIS 34 1HB HIS 34 5.558 -0.282 3.758 257 2HB HIS 34 2HB HIS 34 5.213 0.081 5.443 258 HD1 HIS 34 1HD HIS 34 7.797 1.174 2.767 259 HD2 HIS 34 2HD HIS 34 5.839 2.422 6.260 260 HE1 HIS 34 1HE HIS 34 8.337 3.666 3.069 261 H LEU 35 H LEU 35 5.896 -3.184 3.883 262 HA LEU 35 HA LEU 35 4.201 -4.378 5.879 263 1HB LEU 35 1HB LEU 35 5.601 -5.503 3.399 264 2HB LEU 35 2HB LEU 35 4.614 -6.506 4.415 265 HG LEU 35 HG LEU 35 3.662 -4.152 2.786 266 1HD1 LEU 35 1HD1 LEU 35 2.483 -5.835 1.480 267 2HD1 LEU 35 2HD1 LEU 35 4.214 -6.214 1.528 268 3HD1 LEU 35 3HD1 LEU 35 3.089 -7.127 2.551 269 1HD2 LEU 35 1HD2 LEU 35 2.083 -6.022 4.573 270 2HD2 LEU 35 2HD2 LEU 35 2.332 -4.293 4.832 271 3HD2 LEU 35 3HD2 LEU 35 1.381 -4.815 3.442 272 H LYS 36 H LYS 36 7.584 -5.014 4.879 273 HA LYS 36 HA LYS 36 7.870 -7.358 6.405 274 1HB LYS 36 1HB LYS 36 9.152 -6.733 4.405 275 2HB LYS 36 2HB LYS 36 10.010 -5.486 5.345 276 1HG LYS 36 1HG LYS 36 11.013 -7.134 6.756 277 2HG LYS 36 2HG LYS 36 9.840 -8.359 6.255 278 1HD LYS 36 1HD LYS 36 12.158 -8.689 5.330 279 2HD LYS 36 2HD LYS 36 10.855 -8.659 4.130 280 1HE LYS 36 1HE LYS 36 11.388 -6.431 3.446 281 2HE LYS 36 2HE LYS 36 12.473 -6.181 4.816 282 1HZ LYS 36 1HZ LYS 36 14.031 -7.633 3.912 283 2HZ LYS 36 2HZ LYS 36 13.000 -8.258 2.788 284 3HZ LYS 36 3HZ LYS 36 13.561 -6.709 2.629 285 H ASN 37 H ASN 37 8.830 -4.002 7.003 286 HA ASN 37 HA ASN 37 9.773 -4.344 9.700 287 1HB ASN 37 1HB ASN 37 8.656 -1.946 8.185 288 2HB ASN 37 2HB ASN 37 9.224 -1.859 9.851 289 1HD2 ASN 37 1HD2 ASN 37 10.226 -1.990 6.503 290 2HD2 ASN 37 2HD2 ASN 37 11.918 -1.754 6.792 291 H GLY 38 H GLY 38 6.560 -3.372 8.361 292 1HA GLY 38 1HA GLY 38 4.576 -4.327 9.412 293 2HA GLY 38 2HA GLY 38 5.300 -3.995 10.995 294 H THR 39 H THR 39 6.028 -1.474 8.909 295 HA THR 39 HA THR 39 4.130 0.306 10.380 296 HB THR 39 HB THR 39 6.315 1.097 10.570 297 HG1 THR 39 1HG THR 39 5.159 2.571 8.484 298 1HG2 THR 39 1HG2 THR 39 7.608 -0.011 8.976 299 2HG2 THR 39 2HG2 THR 39 6.583 0.526 7.622 300 3HG2 THR 39 3HG2 THR 39 7.652 1.677 8.435 301 H CYS 40 H CYS 40 2.704 -1.280 8.839 302 HA CYS 40 HA CYS 40 1.909 0.453 6.595 303 1HB CYS 40 1HB CYS 40 3.302 -1.113 5.503 304 2HB CYS 40 2HB CYS 40 2.565 -2.503 6.360 305 HG CYS 40 HG CYS 40 0.821 -0.353 4.558 306 H GLY 41 H GLY 41 -0.223 0.554 6.319 307 1HA GLY 41 1HA GLY 41 -1.984 -1.308 7.682 308 2HA GLY 41 2HA GLY 41 -2.321 0.405 7.829 309 H LEU 42 H LEU 42 -4.308 -0.691 6.742 310 HA LEU 42 HA LEU 42 -4.152 -0.742 3.749 311 1HB LEU 42 1HB LEU 42 -4.632 -2.952 4.853 312 2HB LEU 42 2HB LEU 42 -5.905 -2.189 5.788 313 HG LEU 42 HG LEU 42 -7.090 -1.702 3.525 314 1HD1 LEU 42 1HD1 LEU 42 -6.515 -3.315 1.713 315 2HD1 LEU 42 2HD1 LEU 42 -5.227 -2.139 1.988 316 3HD1 LEU 42 3HD1 LEU 42 -5.083 -3.806 2.612 317 1HD2 LEU 42 1HD2 LEU 42 -7.821 -4.183 3.457 318 2HD2 LEU 42 2HD2 LEU 42 -6.761 -4.380 4.853 319 3HD2 LEU 42 3HD2 LEU 42 -8.126 -3.218 4.890 320 H VAL 43 H VAL 43 -5.735 0.439 2.673 321 HA VAL 43 HA VAL 43 -7.910 1.619 4.284 322 HB VAL 43 HB VAL 43 -6.082 2.916 2.253 323 1HG1 VAL 43 1HG1 VAL 43 -7.686 4.833 2.088 324 2HG1 VAL 43 2HG1 VAL 43 -8.308 3.369 1.334 325 3HG1 VAL 43 3HG1 VAL 43 -8.899 3.871 2.934 326 1HG2 VAL 43 1HG2 VAL 43 -7.233 3.821 4.928 327 2HG2 VAL 43 2HG2 VAL 43 -5.602 3.195 4.665 328 3HG2 VAL 43 3HG2 VAL 43 -6.085 4.746 3.956 329 H GLU 44 H GLU 44 -9.870 1.512 3.381 330 HA GLU 44 HA GLU 44 -10.456 -0.521 1.421 331 1HB GLU 44 1HB GLU 44 -12.083 1.750 2.666 332 2HB GLU 44 2HB GLU 44 -12.758 0.538 1.578 333 1HG GLU 44 1HG GLU 44 -12.070 -1.245 3.141 334 2HG GLU 44 2HG GLU 44 -11.501 -0.058 4.298 335 H LEU 45 H LEU 45 -10.550 -0.455 -0.638 336 HA LEU 45 HA LEU 45 -10.069 1.954 -2.151 337 1HB LEU 45 1HB LEU 45 -10.602 -0.940 -2.710 338 2HB LEU 45 2HB LEU 45 -11.118 0.162 -3.980 339 HG LEU 45 HG LEU 45 -8.386 0.380 -2.699 340 1HD1 LEU 45 1HD1 LEU 45 -9.144 -1.262 -5.146 341 2HD1 LEU 45 2HD1 LEU 45 -7.489 -0.930 -4.583 342 3HD1 LEU 45 3HD1 LEU 45 -8.604 -1.870 -3.594 343 1HD2 LEU 45 1HD2 LEU 45 -8.922 2.382 -3.937 344 2HD2 LEU 45 2HD2 LEU 45 -7.957 1.420 -5.046 345 3HD2 LEU 45 3HD2 LEU 45 -9.691 1.465 -5.249 346 H GLU 46 H GLU 46 -11.372 3.108 -3.418 347 HA GLU 46 HA GLU 46 -14.091 2.622 -3.875 348 1HB GLU 46 1HB GLU 46 -15.005 4.614 -2.707 349 2HB GLU 46 2HB GLU 46 -14.270 3.524 -1.529 350 1HG GLU 46 1HG GLU 46 -12.238 4.859 -1.560 351 2HG GLU 46 2HG GLU 46 -12.981 6.013 -2.670 352 H LYS 47 H LYS 47 -14.847 4.736 -5.149 353 HA LYS 47 HA LYS 47 -12.873 5.401 -7.134 354 1HB LYS 47 1HB LYS 47 -15.212 5.320 -7.628 355 2HB LYS 47 2HB LYS 47 -15.603 6.546 -6.422 356 1HG LYS 47 1HG LYS 47 -14.868 8.299 -7.710 357 2HG LYS 47 2HG LYS 47 -13.673 7.331 -8.577 358 1HD LYS 47 1HD LYS 47 -15.333 6.234 -9.903 359 2HD LYS 47 2HD LYS 47 -16.668 6.912 -8.955 360 1HE LYS 47 1HE LYS 47 -14.690 8.596 -10.562 361 2HE LYS 47 2HE LYS 47 -16.224 7.994 -11.202 362 1HZ LYS 47 1HZ LYS 47 -16.601 10.165 -10.424 363 2HZ LYS 47 2HZ LYS 47 -17.329 9.197 -9.354 364 3HZ LYS 47 3HZ LYS 47 -15.893 9.912 -8.981 365 H GLY 48 H GLY 48 -14.153 7.207 -4.306 366 1HA GLY 48 1HA GLY 48 -12.585 9.551 -4.935 367 2HA GLY 48 2HA GLY 48 -13.707 9.318 -3.608 368 H VAL 49 H VAL 49 -10.942 7.027 -3.911 369 HA VAL 49 HA VAL 49 -9.728 8.258 -1.488 370 HB VAL 49 HB VAL 49 -10.105 5.531 -2.637 371 1HG1 VAL 49 1HG1 VAL 49 -7.589 5.996 -1.026 372 2HG1 VAL 49 2HG1 VAL 49 -8.284 4.431 -1.479 373 3HG1 VAL 49 3HG1 VAL 49 -7.650 5.504 -2.729 374 1HG2 VAL 49 1HG2 VAL 49 -11.146 6.558 -0.470 375 2HG2 VAL 49 2HG2 VAL 49 -10.405 4.959 -0.266 376 3HG2 VAL 49 3HG2 VAL 49 -9.554 6.432 0.254 377 H LEU 50 H LEU 50 -9.096 6.725 -4.651 378 HA LEU 50 HA LEU 50 -6.610 7.411 -5.345 379 1HB LEU 50 1HB LEU 50 -9.246 7.321 -6.852 380 2HB LEU 50 2HB LEU 50 -7.789 7.902 -7.667 381 HG LEU 50 HG LEU 50 -6.658 5.905 -6.813 382 1HD1 LEU 50 1HD1 LEU 50 -7.643 3.872 -6.429 383 2HD1 LEU 50 2HD1 LEU 50 -7.831 5.006 -5.106 384 3HD1 LEU 50 3HD1 LEU 50 -9.249 4.663 -6.171 385 1HD2 LEU 50 1HD2 LEU 50 -9.006 5.309 -8.674 386 2HD2 LEU 50 2HD2 LEU 50 -7.492 6.055 -9.205 387 3HD2 LEU 50 3HD2 LEU 50 -7.485 4.387 -8.627 388 HA PRO 51 HA PRO 51 -7.358 11.821 -6.723 389 1HB PRO 51 1HB PRO 51 -9.606 13.235 -6.082 390 2HB PRO 51 2HB PRO 51 -9.471 12.182 -7.523 391 1HG PRO 51 1HG PRO 51 -10.771 11.596 -4.861 392 2HG PRO 51 2HG PRO 51 -11.358 11.190 -6.514 393 1HD PRO 51 1HD PRO 51 -9.999 9.469 -4.825 394 2HD PRO 51 2HD PRO 51 -10.017 9.267 -6.560 395 H GLN 52 H GLN 52 -7.779 10.731 -3.516 396 HA GLN 52 HA GLN 52 -6.827 13.273 -2.295 397 1HB GLN 52 1HB GLN 52 -7.930 10.808 -0.891 398 2HB GLN 52 2HB GLN 52 -7.596 12.390 -0.199 399 1HG GLN 52 1HG GLN 52 -9.442 13.344 -1.596 400 2HG GLN 52 2HG GLN 52 -9.822 11.721 -2.160 401 1HE2 GLN 52 1HE2 GLN 52 -10.743 10.171 -0.670 402 2HE2 GLN 52 2HE2 GLN 52 -11.311 10.627 0.905 403 H LEU 53 H LEU 53 -5.695 10.424 -3.619 404 HA LEU 53 HA LEU 53 -3.605 9.802 -1.595 405 1HB LEU 53 1HB LEU 53 -4.720 8.400 -4.012 406 2HB LEU 53 2HB LEU 53 -3.222 7.916 -3.272 407 HG LEU 53 HG LEU 53 -5.816 7.014 -2.664 408 1HD1 LEU 53 1HD1 LEU 53 -3.909 5.632 -2.391 409 2HD1 LEU 53 2HD1 LEU 53 -3.167 6.758 -1.247 410 3HD1 LEU 53 3HD1 LEU 53 -4.587 5.836 -0.739 411 1HD2 LEU 53 1HD2 LEU 53 -4.795 8.473 -0.229 412 2HD2 LEU 53 2HD2 LEU 53 -6.261 8.921 -1.092 413 3HD2 LEU 53 3HD2 LEU 53 -6.145 7.367 -0.292 414 H GLU 54 H GLU 54 -1.463 9.150 -3.049 415 HA GLU 54 HA GLU 54 -0.720 11.699 -4.316 416 1HB GLU 54 1HB GLU 54 0.782 9.156 -3.572 417 2HB GLU 54 2HB GLU 54 1.512 10.404 -4.568 418 1HG GLU 54 1HG GLU 54 0.477 10.787 -1.736 419 2HG GLU 54 2HG GLU 54 2.158 10.622 -2.201 420 H GLN 55 H GLN 55 0.065 8.517 -5.566 421 HA GLN 55 HA GLN 55 -1.821 8.670 -7.638 422 1HB GLN 55 1HB GLN 55 0.726 10.074 -8.081 423 2HB GLN 55 2HB GLN 55 0.389 8.812 -9.309 424 1HG GLN 55 1HG GLN 55 -0.915 11.455 -8.828 425 2HG GLN 55 2HG GLN 55 -0.506 10.625 -10.325 426 1HE2 GLN 55 1HE2 GLN 55 -1.830 8.362 -10.438 427 2HE2 GLN 55 2HE2 GLN 55 -3.160 8.303 -9.398 428 HA PRO 56 HA PRO 56 0.871 4.879 -8.260 429 1HB PRO 56 1HB PRO 56 3.122 4.446 -6.684 430 2HB PRO 56 2HB PRO 56 3.085 5.069 -8.355 431 1HG PRO 56 1HG PRO 56 3.613 6.562 -5.849 432 2HG PRO 56 2HG PRO 56 4.085 6.946 -7.519 433 1HD PRO 56 1HD PRO 56 1.957 8.125 -6.119 434 2HD PRO 56 2HD PRO 56 2.214 8.238 -7.886 435 H TYR 57 H TYR 57 -1.075 4.460 -7.348 436 HA TYR 57 HA TYR 57 -1.427 4.070 -4.475 437 1HB TYR 57 1HB TYR 57 -3.251 2.914 -6.571 438 2HB TYR 57 2HB TYR 57 -3.635 3.444 -4.946 439 HD1 TYR 57 1HD TYR 57 -4.381 4.100 -8.119 440 HD2 TYR 57 2HD TYR 57 -2.677 6.196 -4.767 441 HE1 TYR 57 1HE TYR 57 -5.284 6.177 -8.982 442 HE2 TYR 57 2HE TYR 57 -3.374 8.407 -5.788 443 HH TYR 57 HH TYR 57 -5.205 8.523 -8.893 444 H VAL 58 H VAL 58 -0.448 2.437 -3.455 445 HA VAL 58 HA VAL 58 0.318 -0.003 -4.802 446 HB VAL 58 HB VAL 58 0.514 0.962 -1.934 447 1HG1 VAL 58 1HG1 VAL 58 0.667 -1.683 -2.568 448 2HG1 VAL 58 2HG1 VAL 58 2.321 -1.172 -2.946 449 3HG1 VAL 58 3HG1 VAL 58 1.638 -0.892 -1.330 450 1HG2 VAL 58 1HG2 VAL 58 2.419 0.921 -4.327 451 2HG2 VAL 58 2HG2 VAL 58 1.857 2.334 -3.414 452 3HG2 VAL 58 3HG2 VAL 58 2.978 1.183 -2.674 453 H PHE 59 H PHE 59 -1.588 -0.982 -5.489 454 HA PHE 59 HA PHE 59 -3.797 -1.581 -3.634 455 1HB PHE 59 1HB PHE 59 -3.166 -2.579 -6.440 456 2HB PHE 59 2HB PHE 59 -4.694 -2.807 -5.605 457 HD1 PHE 59 1HD PHE 59 -5.191 -0.104 -4.503 458 HD2 PHE 59 2HD PHE 59 -3.789 -1.429 -8.337 459 HE1 PHE 59 1HE PHE 59 -5.999 2.016 -5.522 460 HE2 PHE 59 2HE PHE 59 -4.895 0.506 -9.412 461 HZ PHE 59 HZ PHE 59 -5.992 2.268 -8.015 462 H ILE 60 H ILE 60 -4.699 -3.614 -3.445 463 HA ILE 60 HA ILE 60 -2.822 -5.877 -3.626 464 HB ILE 60 HB ILE 60 -3.633 -6.752 -1.525 465 1HG1 ILE 60 1HG1 ILE 60 -5.210 -4.213 -1.069 466 2HG1 ILE 60 2HG1 ILE 60 -5.879 -5.803 -1.473 467 1HG2 ILE 60 1HG2 ILE 60 -2.384 -5.309 -0.088 468 2HG2 ILE 60 2HG2 ILE 60 -1.655 -5.241 -1.702 469 3HG2 ILE 60 3HG2 ILE 60 -2.704 -3.914 -1.153 470 1HD1 ILE 60 1HD1 ILE 60 -6.068 -5.464 0.889 471 2HD1 ILE 60 2HD1 ILE 60 -4.938 -6.791 0.540 472 3HD1 ILE 60 3HD1 ILE 60 -4.325 -5.194 1.021 473 H LYS 61 H LYS 61 -3.604 -7.452 -4.879 474 HA LYS 61 HA LYS 61 -6.546 -7.682 -5.147 475 1HB LYS 61 1HB LYS 61 -5.857 -8.783 -7.451 476 2HB LYS 61 2HB LYS 61 -6.415 -7.117 -7.263 477 1HG LYS 61 1HG LYS 61 -4.083 -6.380 -7.379 478 2HG LYS 61 2HG LYS 61 -3.565 -8.079 -7.403 479 1HD LYS 61 1HD LYS 61 -5.448 -7.946 -9.516 480 2HD LYS 61 2HD LYS 61 -4.592 -6.390 -9.639 481 1HE LYS 61 1HE LYS 61 -2.470 -7.487 -9.702 482 2HE LYS 61 2HE LYS 61 -3.192 -9.033 -9.195 483 1HZ LYS 61 1HZ LYS 61 -4.345 -9.030 -11.421 484 2HZ LYS 61 2HZ LYS 61 -3.397 -7.757 -11.865 485 3HZ LYS 61 3HZ LYS 61 -2.729 -9.182 -11.456 486 H ARG 62 H ARG 62 -7.345 -9.781 -5.430 487 HA ARG 62 HA ARG 62 -6.019 -11.757 -3.766 488 1HB ARG 62 1HB ARG 62 -8.043 -13.224 -4.675 489 2HB ARG 62 2HB ARG 62 -8.221 -12.025 -3.417 490 1HG ARG 62 1HG ARG 62 -9.084 -10.453 -4.798 491 2HG ARG 62 2HG ARG 62 -8.692 -11.250 -6.318 492 1HD ARG 62 1HD ARG 62 -10.667 -12.408 -4.321 493 2HD ARG 62 2HD ARG 62 -11.120 -11.288 -5.614 494 HE ARG 62 HE ARG 62 -9.624 -13.380 -6.791 495 1HH1 ARG 62 2HH2 ARG 62 -12.844 -12.795 -5.395 496 2HH1 ARG 62 1HH2 ARG 62 -13.560 -14.213 -6.093 497 1HH2 ARG 62 2HH1 ARG 62 -10.766 -15.012 -8.089 498 2HH2 ARG 62 1HH1 ARG 62 -12.311 -15.539 -7.564 499 H SER 63 H SER 63 -4.211 -11.533 -5.083 500 HA SER 63 HA SER 63 -2.588 -12.155 -6.522 501 1HB SER 63 1HB SER 63 -3.076 -14.249 -4.979 502 2HB SER 63 2HB SER 63 -3.597 -15.011 -6.514 503 HG SER 63 HG SER 63 -1.518 -14.748 -7.291 504 H ASP 64 H ASP 64 -3.392 -14.634 -8.395 505 HA ASP 64 HA ASP 64 -5.774 -13.685 -9.622 506 1HB ASP 64 1HB ASP 64 -3.831 -12.977 -11.179 507 2HB ASP 64 2HB ASP 64 -3.550 -14.699 -11.437 508 H ALA 65 H ALA 65 -6.724 -15.700 -10.655 509 HA ALA 65 HA ALA 65 -7.562 -17.771 -10.389 510 1HB ALA 65 1HB ALA 65 -5.754 -17.962 -12.039 511 2HB ALA 65 2HB ALA 65 -4.611 -18.359 -10.740 512 3HB ALA 65 3HB ALA 65 -5.943 -19.477 -11.130 513 H LEU 66 H LEU 66 -8.243 -17.481 -8.206 514 HA LEU 66 HA LEU 66 -6.964 -19.403 -6.317 515 1HB LEU 66 1HB LEU 66 -8.096 -16.680 -5.630 516 2HB LEU 66 2HB LEU 66 -7.501 -17.874 -4.478 517 HG LEU 66 HG LEU 66 -5.813 -16.395 -6.539 518 1HD1 LEU 66 1HD1 LEU 66 -5.071 -15.139 -4.565 519 2HD1 LEU 66 2HD1 LEU 66 -6.815 -15.032 -4.757 520 3HD1 LEU 66 3HD1 LEU 66 -6.149 -16.100 -3.522 521 1HD2 LEU 66 1HD2 LEU 66 -4.821 -18.606 -5.994 522 2HD2 LEU 66 2HD2 LEU 66 -3.891 -17.294 -5.267 523 3HD2 LEU 66 3HD2 LEU 66 -4.997 -18.268 -4.262 524 H SER 67 H SER 67 -8.716 -20.846 -7.211 525 HA SER 67 HA SER 67 -11.412 -20.194 -6.081 526 1HB SER 67 1HB SER 67 -11.306 -21.048 -8.385 527 2HB SER 67 2HB SER 67 -10.529 -22.528 -7.802 528 HG SER 67 HG SER 67 -13.188 -21.606 -7.196 529 H THR 68 H THR 68 -8.687 -22.578 -5.722 530 HA THR 68 HA THR 68 -10.277 -24.321 -4.224 531 HB THR 68 HB THR 68 -7.254 -24.228 -4.367 532 HG1 THR 68 1HG THR 68 -9.181 -25.043 -6.283 533 1HG2 THR 68 1HG2 THR 68 -8.006 -26.109 -2.985 534 2HG2 THR 68 2HG2 THR 68 -9.185 -26.582 -4.233 535 3HG2 THR 68 3HG2 THR 68 -7.445 -26.717 -4.542 536 H ASN 69 H ASN 69 -9.995 -25.103 -2.081 537 HA ASN 69 HA ASN 69 -10.123 -23.398 0.052 538 1HB ASN 69 1HB ASN 69 -9.179 -26.299 -0.078 539 2HB ASN 69 2HB ASN 69 -9.291 -25.440 1.453 540 1HD2 ASN 69 1HD2 ASN 69 -10.782 -27.783 1.006 541 2HD2 ASN 69 2HD2 ASN 69 -12.475 -27.312 1.001 542 H HIS 70 H HIS 70 -7.051 -24.583 -1.283 543 HA HIS 70 HA HIS 70 -5.543 -24.009 1.111 544 1HB HIS 70 1HB HIS 70 -4.399 -24.065 -1.699 545 2HB HIS 70 2HB HIS 70 -3.589 -24.426 -0.188 546 HD1 HIS 70 1HD HIS 70 -3.552 -26.453 -2.634 547 HD2 HIS 70 2HD HIS 70 -6.022 -26.575 0.782 548 HE1 HIS 70 1HE HIS 70 -4.369 -28.855 -2.424 549 H GLY 71 H GLY 71 -4.559 -22.082 1.734 550 1HA GLY 71 1HA GLY 71 -3.697 -19.930 1.545 551 2HA GLY 71 2HA GLY 71 -3.988 -19.981 -0.200 552 H HIS 72 H HIS 72 -5.359 -19.290 2.936 553 HA HIS 72 HA HIS 72 -8.050 -18.877 2.241 554 1HB HIS 72 1HB HIS 72 -6.367 -17.896 4.571 555 2HB HIS 72 2HB HIS 72 -8.140 -17.825 4.518 556 HD1 HIS 72 1HD HIS 72 -9.430 -20.349 4.581 557 HD2 HIS 72 2HD HIS 72 -5.229 -20.221 5.055 558 HE1 HIS 72 1HE HIS 72 -8.712 -22.669 5.274 559 H LYS 73 H LYS 73 -8.099 -17.570 0.427 560 HA LYS 73 HA LYS 73 -7.938 -15.795 -0.944 561 1HB LYS 73 1HB LYS 73 -8.892 -14.299 1.511 562 2HB LYS 73 2HB LYS 73 -8.788 -13.628 -0.117 563 1HG LYS 73 1HG LYS 73 -10.334 -15.564 -0.855 564 2HG LYS 73 2HG LYS 73 -10.616 -15.840 0.883 565 1HD LYS 73 1HD LYS 73 -11.162 -13.362 1.070 566 2HD LYS 73 2HD LYS 73 -11.024 -13.275 -0.690 567 1HE LYS 73 1HE LYS 73 -13.326 -13.406 -0.263 568 2HE LYS 73 2HE LYS 73 -12.878 -15.008 -0.845 569 1HZ LYS 73 1HZ LYS 73 -14.375 -14.943 1.107 570 2HZ LYS 73 2HZ LYS 73 -13.010 -15.821 1.416 571 3HZ LYS 73 3HZ LYS 73 -13.217 -14.284 2.015 572 H VAL 74 H VAL 74 -5.704 -16.182 -1.099 573 HA VAL 74 HA VAL 74 -3.822 -14.502 0.324 574 HB VAL 74 HB VAL 74 -2.170 -15.527 -0.878 575 1HG1 VAL 74 1HG1 VAL 74 -4.242 -17.759 -1.119 576 2HG1 VAL 74 2HG1 VAL 74 -2.556 -17.926 -0.636 577 3HG1 VAL 74 3HG1 VAL 74 -3.726 -17.195 0.473 578 1HG2 VAL 74 1HG2 VAL 74 -2.203 -16.815 -2.867 579 2HG2 VAL 74 2HG2 VAL 74 -3.924 -16.429 -3.090 580 3HG2 VAL 74 3HG2 VAL 74 -2.685 -15.148 -3.129 581 H VAL 75 H VAL 75 -2.523 -12.765 -0.763 582 HA VAL 75 HA VAL 75 -3.916 -11.605 -3.072 583 HB VAL 75 HB VAL 75 -4.005 -9.420 -2.161 584 1HG1 VAL 75 1HG1 VAL 75 -5.133 -11.342 -0.078 585 2HG1 VAL 75 2HG1 VAL 75 -5.596 -9.666 -0.353 586 3HG1 VAL 75 3HG1 VAL 75 -5.908 -10.871 -1.609 587 1HG2 VAL 75 1HG2 VAL 75 -2.057 -9.218 -0.797 588 2HG2 VAL 75 2HG2 VAL 75 -3.508 -8.865 0.166 589 3HG2 VAL 75 3HG2 VAL 75 -2.656 -10.428 0.342 590 H GLU 76 H GLU 76 -2.365 -9.509 -3.637 591 HA GLU 76 HA GLU 76 0.432 -10.310 -3.443 592 1HB GLU 76 1HB GLU 76 0.795 -9.648 -5.831 593 2HB GLU 76 2HB GLU 76 -0.119 -11.137 -5.656 594 1HG GLU 76 1HG GLU 76 -2.214 -10.011 -6.137 595 2HG GLU 76 2HG GLU 76 -1.378 -8.470 -6.290 596 H LEU 77 H LEU 77 1.755 -8.306 -4.111 597 HA LEU 77 HA LEU 77 0.496 -5.721 -3.397 598 1HB LEU 77 1HB LEU 77 3.306 -6.817 -3.519 599 2HB LEU 77 2HB LEU 77 3.107 -5.166 -4.000 600 HG LEU 77 HG LEU 77 2.295 -6.254 -1.280 601 1HD1 LEU 77 1HD1 LEU 77 4.211 -4.905 -0.464 602 2HD1 LEU 77 2HD1 LEU 77 4.778 -6.102 -1.639 603 3HD1 LEU 77 3HD1 LEU 77 4.596 -4.420 -2.128 604 1HD2 LEU 77 1HD2 LEU 77 0.902 -4.288 -1.888 605 2HD2 LEU 77 2HD2 LEU 77 2.096 -3.852 -0.656 606 3HD2 LEU 77 3HD2 LEU 77 2.378 -3.412 -2.339 607 H VAL 78 H VAL 78 -0.039 -4.353 -4.991 608 HA VAL 78 HA VAL 78 1.216 -4.613 -7.648 609 HB VAL 78 HB VAL 78 -1.766 -4.094 -7.312 610 1HG1 VAL 78 1HG1 VAL 78 -0.222 -4.949 -9.755 611 2HG1 VAL 78 2HG1 VAL 78 -1.963 -4.686 -9.631 612 3HG1 VAL 78 3HG1 VAL 78 -0.848 -3.307 -9.461 613 1HG2 VAL 78 1HG2 VAL 78 -0.380 -6.714 -7.811 614 2HG2 VAL 78 2HG2 VAL 78 -1.571 -6.290 -6.537 615 3HG2 VAL 78 3HG2 VAL 78 -2.057 -6.365 -8.227 616 H ALA 79 H ALA 79 1.048 -2.459 -8.756 617 HA ALA 79 HA ALA 79 0.525 -0.171 -7.001 618 1HB ALA 79 1HB ALA 79 2.908 -0.590 -6.505 619 2HB ALA 79 2HB ALA 79 3.272 -0.770 -8.227 620 3HB ALA 79 3HB ALA 79 2.782 0.819 -7.563 621 H GLU 80 H GLU 80 -0.471 1.333 -8.196 622 HA GLU 80 HA GLU 80 -0.339 1.048 -11.150 623 1HB GLU 80 1HB GLU 80 -2.459 0.144 -9.577 624 2HB GLU 80 2HB GLU 80 -2.967 1.736 -10.112 625 1HG GLU 80 1HG GLU 80 -2.210 -0.721 -11.745 626 2HG GLU 80 2HG GLU 80 -3.745 0.168 -11.808 627 H MET 81 H MET 81 -0.012 2.958 -12.158 628 HA MET 81 HA MET 81 0.621 5.173 -10.406 629 1HB MET 81 1HB MET 81 1.850 6.029 -12.129 630 2HB MET 81 2HB MET 81 1.914 4.322 -12.462 631 1HG MET 81 1HG MET 81 1.595 5.184 -14.551 632 2HG MET 81 2HG MET 81 -0.041 4.743 -14.108 633 1HE MET 81 1HE MET 81 1.583 9.123 -14.324 634 2HE MET 81 2HE MET 81 1.982 8.107 -12.930 635 3HE MET 81 3HE MET 81 2.583 7.666 -14.549 636 H ASP 82 H ASP 82 -2.143 4.286 -12.308 637 HA ASP 82 HA ASP 82 -3.450 6.910 -11.707 638 1HB ASP 82 1HB ASP 82 -2.490 6.607 -14.113 639 2HB ASP 82 2HB ASP 82 -3.769 5.437 -14.341 640 H GLY 83 H GLY 83 -3.467 3.763 -11.117 641 1HA GLY 83 1HA GLY 83 -4.904 2.128 -10.656 642 2HA GLY 83 2HA GLY 83 -6.180 3.334 -10.351 643 H ILE 84 H ILE 84 -4.289 2.337 -13.161 644 HA ILE 84 HA ILE 84 -6.230 1.859 -15.064 645 HB ILE 84 HB ILE 84 -3.482 0.692 -14.923 646 1HG1 ILE 84 1HG1 ILE 84 -4.513 2.915 -16.733 647 2HG1 ILE 84 2HG1 ILE 84 -4.058 3.328 -15.097 648 1HG2 ILE 84 1HG2 ILE 84 -4.747 -0.719 -16.368 649 2HG2 ILE 84 2HG2 ILE 84 -5.631 0.633 -17.058 650 3HG2 ILE 84 3HG2 ILE 84 -3.886 0.392 -17.424 651 1HD1 ILE 84 1HD1 ILE 84 -2.236 3.747 -16.662 652 2HD1 ILE 84 2HD1 ILE 84 -1.788 2.598 -15.403 653 3HD1 ILE 84 3HD1 ILE 84 -2.159 2.010 -17.030 654 H GLN 85 H GLN 85 -7.806 1.131 -13.623 655 HA GLN 85 HA GLN 85 -9.518 -0.160 -13.907 656 1HB GLN 85 1HB GLN 85 -7.884 -2.600 -14.586 657 2HB GLN 85 2HB GLN 85 -9.604 -2.392 -14.746 658 1HG GLN 85 1HG GLN 85 -9.267 -0.634 -16.460 659 2HG GLN 85 2HG GLN 85 -7.510 -0.767 -16.251 660 1HE2 GLN 85 1HE2 GLN 85 -10.117 -3.264 -16.691 661 2HE2 GLN 85 2HE2 GLN 85 -9.312 -4.050 -18.024 662 H TYR 86 H TYR 86 -7.431 -2.759 -12.737 663 HA TYR 86 HA TYR 86 -7.592 -3.756 -10.485 664 1HB TYR 86 1HB TYR 86 -5.672 -1.520 -11.064 665 2HB TYR 86 2HB TYR 86 -5.547 -2.479 -9.637 666 HD1 TYR 86 1HD TYR 86 -3.217 -2.564 -11.111 667 HD2 TYR 86 2HD TYR 86 -6.764 -4.914 -11.928 668 HE1 TYR 86 1HE TYR 86 -1.855 -4.268 -12.271 669 HE2 TYR 86 2HE TYR 86 -5.422 -6.579 -13.012 670 HH TYR 86 HH TYR 86 -1.869 -6.374 -13.357 671 H GLY 87 H GLY 87 -7.157 -0.304 -9.644 672 1HA GLY 87 1HA GLY 87 -8.008 -0.403 -7.045 673 2HA GLY 87 2HA GLY 87 -8.176 0.972 -8.087 674 H ARG 88 H ARG 88 -10.075 -0.037 -9.928 675 HA ARG 88 HA ARG 88 -12.507 -0.132 -8.222 676 1HB ARG 88 1HB ARG 88 -11.847 1.810 -9.884 677 2HB ARG 88 2HB ARG 88 -12.504 0.761 -11.123 678 1HG ARG 88 1HG ARG 88 -14.138 1.135 -8.631 679 2HG ARG 88 2HG ARG 88 -13.844 2.586 -9.600 680 1HD ARG 88 1HD ARG 88 -14.709 1.105 -11.589 681 2HD ARG 88 2HD ARG 88 -15.437 0.114 -10.307 682 HE ARG 88 HE ARG 88 -16.216 2.746 -11.244 683 1HH1 ARG 88 2HH2 ARG 88 -16.281 0.855 -8.213 684 2HH1 ARG 88 1HH2 ARG 88 -17.089 2.090 -7.329 685 1HH2 ARG 88 2HH1 ARG 88 -17.432 4.202 -10.209 686 2HH2 ARG 88 1HH1 ARG 88 -17.942 4.006 -8.551 687 H SER 89 H SER 89 -11.285 -2.549 -8.476 688 HA SER 89 HA SER 89 -13.265 -3.956 -10.144 689 1HB SER 89 1HB SER 89 -10.963 -3.860 -11.245 690 2HB SER 89 2HB SER 89 -10.326 -4.789 -9.864 691 HG SER 89 HG SER 89 -11.064 -5.912 -11.869 692 H GLY 90 H GLY 90 -13.737 -6.133 -9.367 693 1HA GLY 90 1HA GLY 90 -13.820 -6.265 -6.437 694 2HA GLY 90 2HA GLY 90 -14.560 -7.374 -7.589 695 H ILE 91 H ILE 91 -11.569 -7.295 -8.832 696 HA ILE 91 HA ILE 91 -10.540 -9.554 -7.309 697 HB ILE 91 HB ILE 91 -10.184 -9.163 -9.675 698 1HG1 ILE 91 1HG1 ILE 91 -7.669 -9.398 -8.157 699 2HG1 ILE 91 2HG1 ILE 91 -8.818 -10.721 -8.427 700 1HG2 ILE 91 1HG2 ILE 91 -8.030 -7.137 -9.042 701 2HG2 ILE 91 2HG2 ILE 91 -8.652 -7.606 -10.634 702 3HG2 ILE 91 3HG2 ILE 91 -9.663 -6.681 -9.532 703 1HD1 ILE 91 1HD1 ILE 91 -6.949 -11.001 -9.934 704 2HD1 ILE 91 2HD1 ILE 91 -8.391 -10.567 -10.871 705 3HD1 ILE 91 3HD1 ILE 91 -7.123 -9.356 -10.557 706 H THR 92 H THR 92 -10.504 -6.042 -6.912 707 HA THR 92 HA THR 92 -8.014 -6.258 -5.412 708 HB THR 92 HB THR 92 -9.358 -3.749 -6.421 709 HG1 THR 92 1HG THR 92 -8.504 -4.101 -8.247 710 1HG2 THR 92 1HG2 THR 92 -7.090 -2.822 -6.343 711 2HG2 THR 92 2HG2 THR 92 -7.477 -3.475 -4.721 712 3HG2 THR 92 3HG2 THR 92 -6.434 -4.375 -5.808 713 H LEU 93 H LEU 93 -7.856 -5.578 -3.305 714 HA LEU 93 HA LEU 93 -10.441 -5.492 -1.857 715 1HB LEU 93 1HB LEU 93 -7.822 -5.773 -0.488 716 2HB LEU 93 2HB LEU 93 -9.435 -6.225 -0.000 717 HG LEU 93 HG LEU 93 -7.804 -7.644 -2.137 718 1HD1 LEU 93 1HD1 LEU 93 -8.590 -8.320 0.716 719 2HD1 LEU 93 2HD1 LEU 93 -7.831 -9.465 -0.423 720 3HD1 LEU 93 3HD1 LEU 93 -6.948 -8.022 0.097 721 1HD2 LEU 93 1HD2 LEU 93 -10.216 -7.833 -2.670 722 2HD2 LEU 93 2HD2 LEU 93 -9.597 -9.368 -2.064 723 3HD2 LEU 93 3HD2 LEU 93 -10.557 -8.328 -0.999 724 H GLY 94 H GLY 94 -7.213 -3.760 -1.802 725 1HA GLY 94 1HA GLY 94 -8.484 -1.221 -1.081 726 2HA GLY 94 2HA GLY 94 -7.614 -2.015 0.220 727 H VAL 95 H VAL 95 -6.451 0.134 -0.074 728 HA VAL 95 HA VAL 95 -4.066 -0.252 -1.799 729 HB VAL 95 HB VAL 95 -5.320 2.380 -0.886 730 1HG1 VAL 95 1HG1 VAL 95 -2.743 1.844 -2.430 731 2HG1 VAL 95 2HG1 VAL 95 -3.470 3.444 -2.287 732 3HG1 VAL 95 3HG1 VAL 95 -2.861 2.626 -0.838 733 1HG2 VAL 95 1HG2 VAL 95 -4.778 1.819 -3.707 734 2HG2 VAL 95 2HG2 VAL 95 -6.316 1.286 -2.970 735 3HG2 VAL 95 3HG2 VAL 95 -5.858 2.999 -2.977 736 H LEU 96 H LEU 96 -2.207 -0.514 -0.642 737 HA LEU 96 HA LEU 96 -2.234 -0.411 2.274 738 1HB LEU 96 1HB LEU 96 -0.406 -1.391 0.056 739 2HB LEU 96 2HB LEU 96 0.284 -0.983 1.601 740 HG LEU 96 HG LEU 96 -0.732 -2.571 2.802 741 1HD1 LEU 96 1HD1 LEU 96 -2.579 -4.088 2.051 742 2HD1 LEU 96 2HD1 LEU 96 -2.992 -2.435 2.481 743 3HD1 LEU 96 3HD1 LEU 96 -2.904 -2.890 0.768 744 1HD2 LEU 96 1HD2 LEU 96 -0.336 -3.846 0.086 745 2HD2 LEU 96 2HD2 LEU 96 0.912 -3.553 1.305 746 3HD2 LEU 96 3HD2 LEU 96 -0.367 -4.729 1.632 747 H VAL 97 H VAL 97 -0.972 0.874 3.467 748 HA VAL 97 HA VAL 97 0.363 3.282 2.377 749 HB VAL 97 HB VAL 97 -1.081 4.588 3.910 750 1HG1 VAL 97 1HG1 VAL 97 -2.795 3.228 1.793 751 2HG1 VAL 97 2HG1 VAL 97 -2.927 4.877 2.417 752 3HG1 VAL 97 3HG1 VAL 97 -1.536 4.429 1.429 753 1HG2 VAL 97 1HG2 VAL 97 -1.939 2.714 5.368 754 2HG2 VAL 97 2HG2 VAL 97 -3.234 3.722 4.726 755 3HG2 VAL 97 3HG2 VAL 97 -2.928 2.137 4.014 756 HA PRO 98 HA PRO 98 2.669 2.553 6.070 757 1HB PRO 98 1HB PRO 98 2.567 5.404 6.895 758 2HB PRO 98 2HB PRO 98 3.963 4.321 6.562 759 1HG PRO 98 1HG PRO 98 3.023 6.333 4.824 760 2HG PRO 98 2HG PRO 98 3.994 4.910 4.330 761 1HD PRO 98 1HD PRO 98 1.106 5.478 3.950 762 2HD PRO 98 2HD PRO 98 2.188 4.393 3.048 763 H HIS 99 H HIS 99 2.288 2.151 8.285 764 HA HIS 99 HA HIS 99 -0.084 3.402 9.595 765 1HB HIS 99 1HB HIS 99 -0.217 0.988 9.856 766 2HB HIS 99 2HB HIS 99 1.486 0.869 10.238 767 HD1 HIS 99 1HD HIS 99 1.911 0.537 12.758 768 HD2 HIS 99 2HD HIS 99 -1.395 3.039 11.910 769 HE1 HIS 99 1HE HIS 99 0.966 1.289 14.983 770 H VAL 100 H VAL 100 0.638 5.309 10.383 771 HA VAL 100 HA VAL 100 3.107 5.306 12.049 772 HB VAL 100 HB VAL 100 2.041 7.336 10.083 773 1HG1 VAL 100 1HG1 VAL 100 3.990 7.941 12.327 774 2HG1 VAL 100 2HG1 VAL 100 3.818 8.927 10.854 775 3HG1 VAL 100 3HG1 VAL 100 2.466 8.790 11.952 776 1HG2 VAL 100 1HG2 VAL 100 3.684 5.704 9.263 777 2HG2 VAL 100 2HG2 VAL 100 4.534 7.258 9.464 778 3HG2 VAL 100 3HG2 VAL 100 4.730 6.008 10.662 779 H GLY 101 H GLY 101 1.210 4.140 13.232 780 1HA GLY 101 1HA GLY 101 0.557 4.154 15.388 781 2HA GLY 101 2HA GLY 101 1.177 5.786 15.478 782 H GLU 102 H GLU 102 -1.306 5.602 13.161 783 HA GLU 102 HA GLU 102 -2.705 7.628 14.562 784 1HB GLU 102 1HB GLU 102 -3.488 6.096 12.049 785 2HB GLU 102 2HB GLU 102 -4.159 7.646 12.563 786 1HG GLU 102 1HG GLU 102 -1.252 7.121 11.809 787 2HG GLU 102 2HG GLU 102 -2.489 7.739 10.745 788 H THR 103 H THR 103 -4.995 5.535 13.022 789 HA THR 103 HA THR 103 -6.132 4.430 15.479 790 HB THR 103 HB THR 103 -7.282 6.787 13.921 791 HG1 THR 103 1HG THR 103 -6.773 6.296 16.683 792 1HG2 THR 103 1HG2 THR 103 -8.624 4.900 15.878 793 2HG2 THR 103 2HG2 THR 103 -9.241 6.526 15.469 794 3HG2 THR 103 3HG2 THR 103 -9.121 5.271 14.220 795 HA PRO 104 HA PRO 104 -7.561 2.081 11.887 796 1HB PRO 104 1HB PRO 104 -7.362 -0.446 12.952 797 2HB PRO 104 2HB PRO 104 -6.060 0.410 12.096 798 1HG PRO 104 1HG PRO 104 -6.446 0.059 15.061 799 2HG PRO 104 2HG PRO 104 -4.925 0.035 14.138 800 1HD PRO 104 1HD PRO 104 -5.899 2.244 15.560 801 2HD PRO 104 2HD PRO 104 -4.743 2.364 14.220 802 H ILE 105 H ILE 105 -9.375 0.879 11.682 803 HA ILE 105 HA ILE 105 -11.435 1.013 13.848 804 HB ILE 105 HB ILE 105 -13.014 1.572 12.072 805 1HG1 ILE 105 1HG1 ILE 105 -10.736 0.857 10.243 806 2HG1 ILE 105 2HG1 ILE 105 -12.432 0.429 10.162 807 1HG2 ILE 105 1HG2 ILE 105 -10.587 3.393 11.817 808 2HG2 ILE 105 2HG2 ILE 105 -12.299 3.814 11.625 809 3HG2 ILE 105 3HG2 ILE 105 -11.683 3.359 13.213 810 1HD1 ILE 105 1HD1 ILE 105 -11.772 1.897 8.345 811 2HD1 ILE 105 2HD1 ILE 105 -12.934 2.758 9.395 812 3HD1 ILE 105 3HD1 ILE 105 -11.182 3.108 9.473 813 H ALA 106 H ALA 106 -9.698 -1.088 11.761 814 HA ALA 106 HA ALA 106 -10.985 -3.392 12.777 815 1HB ALA 106 1HB ALA 106 -11.657 -4.412 10.623 816 2HB ALA 106 2HB ALA 106 -12.570 -2.917 10.866 817 3HB ALA 106 3HB ALA 106 -11.202 -2.937 9.746 818 H TYR 107 H TYR 107 -9.829 -5.331 11.554 819 HA TYR 107 HA TYR 107 -7.085 -4.668 10.634 820 1HB TYR 107 1HB TYR 107 -7.972 -6.315 12.991 821 2HB TYR 107 2HB TYR 107 -6.669 -6.947 12.041 822 HD1 TYR 107 1HD TYR 107 -4.399 -6.180 12.399 823 HD2 TYR 107 2HD TYR 107 -7.724 -3.821 13.861 824 HE1 TYR 107 1HE TYR 107 -2.842 -4.769 13.607 825 HE2 TYR 107 2HE TYR 107 -6.129 -2.337 15.010 826 HH TYR 107 HH TYR 107 -3.960 -2.029 15.688 827 H ARG 108 H ARG 108 -6.485 -5.936 8.883 828 HA ARG 108 HA ARG 108 -8.523 -7.848 7.799 829 1HB ARG 108 1HB ARG 108 -7.987 -5.584 6.608 830 2HB ARG 108 2HB ARG 108 -6.459 -6.347 6.171 831 1HG ARG 108 1HG ARG 108 -7.837 -6.762 4.312 832 2HG ARG 108 2HG ARG 108 -7.948 -8.281 5.207 833 1HD ARG 108 1HD ARG 108 -10.070 -7.338 6.302 834 2HD ARG 108 2HD ARG 108 -9.915 -5.961 5.198 835 HE ARG 108 HE ARG 108 -9.940 -8.604 3.916 836 1HH1 ARG 108 2HH2 ARG 108 -12.021 -6.013 5.146 837 2HH1 ARG 108 1HH2 ARG 108 -13.278 -6.241 3.981 838 1HH2 ARG 108 2HH1 ARG 108 -11.527 -8.991 2.467 839 2HH2 ARG 108 1HH1 ARG 108 -13.008 -8.072 2.346 840 H ASN 109 H ASN 109 -7.725 -9.970 7.196 841 HA ASN 109 HA ASN 109 -4.881 -10.540 7.607 842 1HB ASN 109 1HB ASN 109 -5.624 -12.733 8.019 843 2HB ASN 109 2HB ASN 109 -6.645 -11.734 9.016 844 1HD2 ASN 109 1HD2 ASN 109 -6.563 -14.420 6.832 845 2HD2 ASN 109 2HD2 ASN 109 -8.138 -14.271 6.135 846 H VAL 110 H VAL 110 -3.795 -11.678 5.942 847 HA VAL 110 HA VAL 110 -5.173 -12.583 3.526 848 HB VAL 110 HB VAL 110 -3.564 -11.280 2.114 849 1HG1 VAL 110 1HG1 VAL 110 -4.766 -9.181 2.026 850 2HG1 VAL 110 2HG1 VAL 110 -5.910 -10.491 2.325 851 3HG1 VAL 110 3HG1 VAL 110 -5.410 -9.409 3.646 852 1HG2 VAL 110 1HG2 VAL 110 -1.893 -10.666 3.847 853 2HG2 VAL 110 2HG2 VAL 110 -2.495 -9.238 2.983 854 3HG2 VAL 110 3HG2 VAL 110 -3.080 -9.589 4.614 855 H LEU 111 H LEU 111 -3.350 -13.665 2.069 856 HA LEU 111 HA LEU 111 -0.976 -14.455 3.683 857 1HB LEU 111 1HB LEU 111 -2.337 -15.753 1.364 858 2HB LEU 111 2HB LEU 111 -0.717 -16.190 1.813 859 HG LEU 111 HG LEU 111 -2.428 -17.804 2.287 860 1HD1 LEU 111 1HD1 LEU 111 -0.308 -17.753 3.614 861 2HD1 LEU 111 2HD1 LEU 111 -1.244 -16.971 4.910 862 3HD1 LEU 111 3HD1 LEU 111 -1.667 -18.588 4.373 863 1HD2 LEU 111 1HD2 LEU 111 -4.315 -16.472 2.831 864 2HD2 LEU 111 2HD2 LEU 111 -3.985 -17.642 4.128 865 3HD2 LEU 111 3HD2 LEU 111 -3.566 -15.929 4.337 866 H LEU 112 H LEU 112 0.956 -14.452 2.418 867 HA LEU 112 HA LEU 112 1.072 -12.640 0.034 868 1HB LEU 112 1HB LEU 112 2.366 -12.148 2.401 869 2HB LEU 112 2HB LEU 112 3.497 -13.251 1.693 870 HG LEU 112 HG LEU 112 2.785 -10.527 0.711 871 1HD1 LEU 112 1HD1 LEU 112 5.237 -10.272 0.729 872 2HD1 LEU 112 2HD1 LEU 112 4.657 -10.808 2.298 873 3HD1 LEU 112 3HD1 LEU 112 5.431 -11.969 1.207 874 1HD2 LEU 112 1HD2 LEU 112 2.665 -11.817 -1.353 875 2HD2 LEU 112 2HD2 LEU 112 4.174 -10.941 -1.305 876 3HD2 LEU 112 3HD2 LEU 112 4.190 -12.673 -0.942 877 H ARG 113 H ARG 113 1.805 -13.697 -1.788 878 HA ARG 113 HA ARG 113 2.533 -16.501 -1.805 879 1HB ARG 113 1HB ARG 113 1.051 -15.211 -3.284 880 2HB ARG 113 2HB ARG 113 2.437 -14.328 -3.920 881 1HG ARG 113 1HG ARG 113 3.200 -16.161 -5.150 882 2HG ARG 113 2HG ARG 113 2.319 -17.323 -4.134 883 1HD ARG 113 1HD ARG 113 0.140 -16.203 -4.901 884 2HD ARG 113 2HD ARG 113 1.087 -15.264 -6.033 885 HE ARG 113 HE ARG 113 0.406 -18.144 -6.080 886 1HH1 ARG 113 2HH2 ARG 113 2.247 -15.505 -7.689 887 2HH1 ARG 113 1HH2 ARG 113 2.031 -16.153 -9.250 888 1HH2 ARG 113 2HH1 ARG 113 0.331 -19.100 -8.198 889 2HH2 ARG 113 1HH1 ARG 113 0.946 -18.220 -9.558 890 H LYS 114 H LYS 114 4.255 -15.876 -0.282 891 HA LYS 114 HA LYS 114 6.467 -15.469 0.324 892 1HB LYS 114 1HB LYS 114 6.521 -17.704 -1.727 893 2HB LYS 114 2HB LYS 114 7.791 -17.416 -0.533 894 1HG LYS 114 1HG LYS 114 5.217 -17.583 0.808 895 2HG LYS 114 2HG LYS 114 5.360 -18.926 -0.316 896 1HD LYS 114 1HD LYS 114 6.152 -19.687 1.770 897 2HD LYS 114 2HD LYS 114 7.591 -19.482 0.756 898 1HE LYS 114 1HE LYS 114 8.046 -17.295 1.850 899 2HE LYS 114 2HE LYS 114 6.550 -17.435 2.785 900 1HZ LYS 114 1HZ LYS 114 7.507 -19.465 3.788 901 2HZ LYS 114 2HZ LYS 114 8.923 -19.147 3.031 902 3HZ LYS 114 3HZ LYS 114 8.370 -18.069 4.123 903 H ASN 115 H ASN 115 7.365 -13.595 -0.084 904 HA ASN 115 HA ASN 115 8.082 -12.953 -2.891 905 1HB ASN 115 1HB ASN 115 6.295 -11.704 -1.364 906 2HB ASN 115 2HB ASN 115 7.708 -10.911 -0.685 907 1HD2 ASN 115 1HD2 ASN 115 6.355 -11.842 -3.909 908 2HD2 ASN 115 2HD2 ASN 115 6.693 -10.293 -4.654 909 H GLY 116 H GLY 116 9.705 -13.894 -0.155 910 1HA GLY 116 1HA GLY 116 12.162 -12.581 -0.913 911 2HA GLY 116 2HA GLY 116 11.486 -12.059 0.645 Start of MODEL 7 1 1H GLY 1 H GLY 1 4.924 -22.249 1.411 2 1HA GLY 1 1HA GLY 1 3.298 -22.709 -1.022 3 2HA GLY 1 2HA GLY 1 2.628 -22.685 0.622 4 H HIS 2 H HIS 2 2.209 -20.753 1.626 5 HA HIS 2 HA HIS 2 3.172 -18.195 0.514 6 1HB HIS 2 1HB HIS 2 0.213 -18.814 1.091 7 2HB HIS 2 2HB HIS 2 0.864 -17.311 0.548 8 HD1 HIS 2 1HD HIS 2 0.317 -20.926 -0.754 9 HD2 HIS 2 2HD HIS 2 0.633 -16.937 -1.870 10 HE1 HIS 2 1HE HIS 2 -0.148 -20.895 -3.259 11 H VAL 3 H VAL 3 2.637 -16.454 2.189 12 HA VAL 3 HA VAL 3 2.966 -17.537 4.955 13 HB VAL 3 HB VAL 3 4.176 -15.061 4.936 14 1HG1 VAL 3 1HG1 VAL 3 5.038 -17.156 5.978 15 2HG1 VAL 3 2HG1 VAL 3 5.488 -17.781 4.386 16 3HG1 VAL 3 3HG1 VAL 3 6.312 -16.351 5.065 17 1HG2 VAL 3 1HG2 VAL 3 4.146 -14.819 2.520 18 2HG2 VAL 3 2HG2 VAL 3 5.786 -14.910 3.175 19 3HG2 VAL 3 3HG2 VAL 3 5.094 -16.314 2.356 20 H GLN 4 H GLN 4 1.506 -16.741 6.507 21 HA GLN 4 HA GLN 4 -0.590 -15.075 5.436 22 1HB GLN 4 1HB GLN 4 -0.664 -17.042 7.275 23 2HB GLN 4 2HB GLN 4 -0.405 -15.677 8.374 24 1HG GLN 4 1HG GLN 4 -2.295 -14.519 6.977 25 2HG GLN 4 2HG GLN 4 -2.642 -16.133 6.368 26 1HE2 GLN 4 1HE2 GLN 4 -2.973 -13.849 9.021 27 2HE2 GLN 4 2HE2 GLN 4 -3.744 -14.902 10.156 28 H LEU 5 H LEU 5 -0.917 -12.922 5.741 29 HA LEU 5 HA LEU 5 0.744 -11.505 7.706 30 1HB LEU 5 1HB LEU 5 0.225 -10.616 4.845 31 2HB LEU 5 2HB LEU 5 0.835 -9.556 6.114 32 HG LEU 5 HG LEU 5 2.283 -12.014 5.018 33 1HD1 LEU 5 1HD1 LEU 5 2.792 -9.007 4.747 34 2HD1 LEU 5 2HD1 LEU 5 3.845 -10.289 4.137 35 3HD1 LEU 5 3HD1 LEU 5 2.213 -10.090 3.461 36 1HD2 LEU 5 1HD2 LEU 5 2.899 -11.678 7.393 37 2HD2 LEU 5 2HD2 LEU 5 4.215 -11.185 6.344 38 3HD2 LEU 5 3HD2 LEU 5 3.184 -9.951 7.094 39 H SER 6 H SER 6 -0.281 -9.542 8.591 40 HA SER 6 HA SER 6 -3.030 -9.155 7.754 41 1HB SER 6 1HB SER 6 -2.192 -9.038 10.656 42 2HB SER 6 2HB SER 6 -3.759 -9.077 9.915 43 HG SER 6 HG SER 6 -1.931 -11.252 9.991 44 H LEU 7 H LEU 7 -3.794 -7.030 8.467 45 HA LEU 7 HA LEU 7 -1.693 -4.998 8.891 46 1HB LEU 7 1HB LEU 7 -3.823 -5.102 6.695 47 2HB LEU 7 2HB LEU 7 -2.992 -3.619 7.137 48 HG LEU 7 HG LEU 7 -1.530 -6.079 6.118 49 1HD1 LEU 7 1HD1 LEU 7 -2.403 -3.552 4.660 50 2HD1 LEU 7 2HD1 LEU 7 -1.410 -4.876 3.996 51 3HD1 LEU 7 3HD1 LEU 7 -3.107 -5.164 4.444 52 1HD2 LEU 7 1HD2 LEU 7 -0.680 -3.156 6.326 53 2HD2 LEU 7 2HD2 LEU 7 -0.196 -4.398 7.493 54 3HD2 LEU 7 3HD2 LEU 7 0.306 -4.535 5.822 55 HA PRO 8 HA PRO 8 -5.299 -3.126 11.040 56 1HB PRO 8 1HB PRO 8 -4.395 -0.577 11.138 57 2HB PRO 8 2HB PRO 8 -3.775 -1.820 12.230 58 1HG PRO 8 1HG PRO 8 -2.548 -0.728 9.699 59 2HG PRO 8 2HG PRO 8 -1.732 -1.071 11.253 60 1HD PRO 8 1HD PRO 8 -1.724 -2.814 9.117 61 2HD PRO 8 2HD PRO 8 -1.605 -3.332 10.811 62 H VAL 9 H VAL 9 -6.928 -1.542 10.274 63 HA VAL 9 HA VAL 9 -6.625 -0.644 7.466 64 HB VAL 9 HB VAL 9 -9.310 -1.167 8.779 65 1HG1 VAL 9 1HG1 VAL 9 -10.041 -1.235 6.407 66 2HG1 VAL 9 2HG1 VAL 9 -9.264 0.303 6.792 67 3HG1 VAL 9 3HG1 VAL 9 -8.380 -0.924 5.872 68 1HG2 VAL 9 1HG2 VAL 9 -8.252 -3.362 8.744 69 2HG2 VAL 9 2HG2 VAL 9 -9.438 -3.281 7.448 70 3HG2 VAL 9 3HG2 VAL 9 -7.697 -3.117 7.082 71 H LEU 10 H LEU 10 -6.773 1.533 7.266 72 HA LEU 10 HA LEU 10 -7.152 3.155 9.748 73 1HB LEU 10 1HB LEU 10 -5.107 3.448 7.521 74 2HB LEU 10 2HB LEU 10 -5.282 4.537 8.900 75 HG LEU 10 HG LEU 10 -4.634 1.598 9.328 76 1HD1 LEU 10 1HD1 LEU 10 -2.983 2.478 7.717 77 2HD1 LEU 10 2HD1 LEU 10 -2.600 3.796 8.829 78 3HD1 LEU 10 3HD1 LEU 10 -2.268 2.120 9.303 79 1HD2 LEU 10 1HD2 LEU 10 -3.710 3.972 10.963 80 2HD2 LEU 10 2HD2 LEU 10 -5.285 3.235 11.236 81 3HD2 LEU 10 3HD2 LEU 10 -3.806 2.269 11.434 82 H GLN 11 H GLN 11 -7.934 5.355 9.243 83 HA GLN 11 HA GLN 11 -9.771 5.327 6.927 84 1HB GLN 11 1HB GLN 11 -9.327 7.059 9.369 85 2HB GLN 11 2HB GLN 11 -10.000 7.804 7.940 86 1HG GLN 11 1HG GLN 11 -11.408 5.339 8.326 87 2HG GLN 11 2HG GLN 11 -11.356 6.194 9.877 88 1HE2 GLN 11 1HE2 GLN 11 -13.504 7.197 10.045 89 2HE2 GLN 11 2HE2 GLN 11 -14.134 8.109 8.697 90 H VAL 12 H VAL 12 -9.396 6.363 4.995 91 HA VAL 12 HA VAL 12 -6.807 6.993 4.107 92 HB VAL 12 HB VAL 12 -8.710 6.372 2.701 93 1HG1 VAL 12 1HG1 VAL 12 -9.853 9.163 3.049 94 2HG1 VAL 12 2HG1 VAL 12 -10.492 7.838 2.051 95 3HG1 VAL 12 3HG1 VAL 12 -10.534 7.713 3.821 96 1HG2 VAL 12 1HG2 VAL 12 -8.222 7.810 0.844 97 2HG2 VAL 12 2HG2 VAL 12 -7.731 9.143 1.905 98 3HG2 VAL 12 3HG2 VAL 12 -6.750 7.677 1.837 99 H ARG 13 H ARG 13 -9.194 8.928 5.822 100 HA ARG 13 HA ARG 13 -8.166 11.464 4.953 101 1HB ARG 13 1HB ARG 13 -9.611 12.334 6.933 102 2HB ARG 13 2HB ARG 13 -10.411 11.586 5.547 103 1HG ARG 13 1HG ARG 13 -10.807 9.561 6.682 104 2HG ARG 13 2HG ARG 13 -9.723 9.969 8.023 105 1HD ARG 13 1HD ARG 13 -12.173 11.614 7.434 106 2HD ARG 13 2HD ARG 13 -12.274 10.104 8.368 107 HE ARG 13 HE ARG 13 -10.285 11.365 9.670 108 1HH1 ARG 13 2HH2 ARG 13 -13.644 12.109 8.814 109 2HH1 ARG 13 1HH2 ARG 13 -13.952 13.144 10.155 110 1HH2 ARG 13 2HH1 ARG 13 -10.612 12.863 11.426 111 2HH2 ARG 13 1HH1 ARG 13 -12.199 13.531 11.728 112 H ASP 14 H ASP 14 -7.573 9.291 7.670 113 HA ASP 14 HA ASP 14 -6.220 11.318 9.271 114 1HB ASP 14 1HB ASP 14 -7.015 8.414 9.560 115 2HB ASP 14 2HB ASP 14 -5.770 9.077 10.602 116 H VAL 15 H VAL 15 -5.478 8.668 7.114 117 HA VAL 15 HA VAL 15 -2.655 8.535 7.661 118 HB VAL 15 HB VAL 15 -4.244 7.511 5.258 119 1HG1 VAL 15 1HG1 VAL 15 -1.789 7.452 4.958 120 2HG1 VAL 15 2HG1 VAL 15 -1.606 6.727 6.559 121 3HG1 VAL 15 3HG1 VAL 15 -2.404 5.824 5.262 122 1HG2 VAL 15 1HG2 VAL 15 -5.061 6.599 7.583 123 2HG2 VAL 15 2HG2 VAL 15 -4.592 5.442 6.338 124 3HG2 VAL 15 3HG2 VAL 15 -3.491 5.836 7.683 125 H LEU 16 H LEU 16 -2.652 10.912 7.643 126 HA LEU 16 HA LEU 16 -2.977 12.676 5.665 127 1HB LEU 16 1HB LEU 16 -0.971 12.384 7.883 128 2HB LEU 16 2HB LEU 16 -0.736 13.699 6.767 129 HG LEU 16 HG LEU 16 -3.406 13.231 8.156 130 1HD1 LEU 16 1HD1 LEU 16 -2.733 14.979 9.772 131 2HD1 LEU 16 2HD1 LEU 16 -1.706 13.550 9.892 132 3HD1 LEU 16 3HD1 LEU 16 -1.096 14.997 9.071 133 1HD2 LEU 16 1HD2 LEU 16 -2.172 15.704 6.848 134 2HD2 LEU 16 2HD2 LEU 16 -3.468 14.712 6.154 135 3HD2 LEU 16 3HD2 LEU 16 -3.765 15.628 7.634 136 H VAL 17 H VAL 17 -0.196 10.421 5.627 137 HA VAL 17 HA VAL 17 0.033 11.185 2.794 138 HB VAL 17 HB VAL 17 2.028 12.109 3.630 139 1HG1 VAL 17 1HG1 VAL 17 2.190 10.838 5.808 140 2HG1 VAL 17 2HG1 VAL 17 2.841 9.464 4.896 141 3HG1 VAL 17 3HG1 VAL 17 3.717 10.999 4.927 142 1HG2 VAL 17 1HG2 VAL 17 2.754 9.377 2.480 143 2HG2 VAL 17 2HG2 VAL 17 2.184 10.784 1.512 144 3HG2 VAL 17 3HG2 VAL 17 3.710 10.862 2.400 145 H ARG 18 H ARG 18 -0.831 9.676 1.716 146 HA ARG 18 HA ARG 18 -0.794 6.866 2.577 147 1HB ARG 18 1HB ARG 18 -2.216 8.127 0.231 148 2HB ARG 18 2HB ARG 18 -2.517 6.567 1.015 149 1HG ARG 18 1HG ARG 18 -4.238 7.726 1.898 150 2HG ARG 18 2HG ARG 18 -3.044 8.045 3.122 151 1HD ARG 18 1HD ARG 18 -2.509 10.192 1.900 152 2HD ARG 18 2HD ARG 18 -3.749 9.818 0.728 153 HE ARG 18 HE ARG 18 -5.008 9.755 3.199 154 1HH1 ARG 18 2HH2 ARG 18 -3.114 12.238 1.505 155 2HH1 ARG 18 1HH2 ARG 18 -3.772 13.547 2.417 156 1HH2 ARG 18 2HH1 ARG 18 -5.865 11.341 4.299 157 2HH2 ARG 18 1HH1 ARG 18 -5.533 13.033 4.065 158 H GLY 19 H GLY 19 1.413 8.646 0.931 159 1HA GLY 19 1HA GLY 19 1.620 6.909 -1.483 160 2HA GLY 19 2HA GLY 19 2.115 8.605 -1.394 161 H PHE 20 H PHE 20 2.962 5.341 -0.636 162 HA PHE 20 HA PHE 20 5.224 5.626 1.025 163 1HB PHE 20 1HB PHE 20 4.585 3.833 -1.342 164 2HB PHE 20 2HB PHE 20 6.028 3.658 -0.367 165 HD1 PHE 20 1HD PHE 20 2.451 2.927 -0.586 166 HD2 PHE 20 2HD PHE 20 5.892 2.979 2.068 167 HE1 PHE 20 1HE PHE 20 1.448 1.177 0.778 168 HE2 PHE 20 2HE PHE 20 5.019 1.058 3.185 169 HZ PHE 20 HZ PHE 20 2.722 0.160 2.693 170 H GLY 21 H GLY 21 4.773 6.679 -2.322 171 1HA GLY 21 1HA GLY 21 7.265 8.009 -2.347 172 2HA GLY 21 2HA GLY 21 7.325 6.590 -3.419 173 H ASP 22 H ASP 22 7.657 8.549 -4.853 174 HA ASP 22 HA ASP 22 5.130 9.768 -5.772 175 1HB ASP 22 1HB ASP 22 7.387 10.937 -5.076 176 2HB ASP 22 2HB ASP 22 7.907 10.515 -6.696 177 H SER 23 H SER 23 6.982 7.080 -6.516 178 HA SER 23 HA SER 23 5.957 6.956 -9.290 179 1HB SER 23 1HB SER 23 8.726 6.120 -8.386 180 2HB SER 23 2HB SER 23 8.010 5.740 -9.959 181 HG SER 23 HG SER 23 9.163 8.027 -9.072 182 H VAL 24 H VAL 24 5.499 4.874 -10.007 183 HA VAL 24 HA VAL 24 4.149 3.158 -8.279 184 HB VAL 24 HB VAL 24 5.392 2.528 -11.017 185 1HG1 VAL 24 1HG1 VAL 24 4.637 0.466 -9.818 186 2HG1 VAL 24 2HG1 VAL 24 3.033 1.247 -9.690 187 3HG1 VAL 24 3HG1 VAL 24 3.693 0.840 -11.273 188 1HG2 VAL 24 1HG2 VAL 24 2.695 3.535 -10.153 189 2HG2 VAL 24 2HG2 VAL 24 3.923 4.421 -11.107 190 3HG2 VAL 24 3HG2 VAL 24 3.114 3.026 -11.821 191 H GLU 25 H GLU 25 7.409 2.638 -9.765 192 HA GLU 25 HA GLU 25 7.717 0.192 -8.524 193 1HB GLU 25 1HB GLU 25 9.623 2.224 -9.690 194 2HB GLU 25 2HB GLU 25 10.305 0.828 -8.844 195 1HG GLU 25 1HG GLU 25 9.031 -0.687 -10.351 196 2HG GLU 25 2HG GLU 25 8.517 0.717 -11.294 197 H GLU 26 H GLU 26 8.540 3.409 -7.399 198 HA GLU 26 HA GLU 26 10.186 2.818 -5.147 199 1HB GLU 26 1HB GLU 26 8.289 5.142 -5.728 200 2HB GLU 26 2HB GLU 26 9.306 5.061 -4.307 201 1HG GLU 26 1HG GLU 26 10.282 5.040 -7.194 202 2HG GLU 26 2HG GLU 26 10.283 6.415 -6.099 203 H ALA 27 H ALA 27 6.710 3.520 -5.454 204 HA ALA 27 HA ALA 27 6.122 3.178 -2.736 205 1HB ALA 27 1HB ALA 27 3.787 3.250 -3.457 206 2HB ALA 27 2HB ALA 27 4.737 4.377 -4.430 207 3HB ALA 27 3HB ALA 27 4.257 2.806 -5.116 208 H LEU 28 H LEU 28 5.747 0.675 -5.503 209 HA LEU 28 HA LEU 28 4.847 -1.309 -4.013 210 1HB LEU 28 1HB LEU 28 5.434 -0.935 -6.584 211 2HB LEU 28 2HB LEU 28 7.010 -1.549 -6.163 212 HG LEU 28 HG LEU 28 5.064 -3.140 -4.864 213 1HD1 LEU 28 1HD1 LEU 28 4.469 -2.837 -7.784 214 2HD1 LEU 28 2HD1 LEU 28 3.881 -4.178 -6.763 215 3HD1 LEU 28 3HD1 LEU 28 3.425 -2.507 -6.368 216 1HD2 LEU 28 1HD2 LEU 28 6.011 -5.021 -6.185 217 2HD2 LEU 28 2HD2 LEU 28 6.770 -3.833 -7.256 218 3HD2 LEU 28 3HD2 LEU 28 7.310 -3.953 -5.571 219 H SER 29 H SER 29 8.237 -0.259 -4.398 220 HA SER 29 HA SER 29 9.356 -2.602 -3.181 221 1HB SER 29 1HB SER 29 10.331 0.107 -4.028 222 2HB SER 29 2HB SER 29 11.160 -0.541 -2.626 223 HG SER 29 HG SER 29 12.289 -1.400 -4.107 224 H GLU 30 H GLU 30 8.703 0.684 -1.991 225 HA GLU 30 HA GLU 30 9.546 0.357 0.678 226 1HB GLU 30 1HB GLU 30 7.361 2.012 -0.714 227 2HB GLU 30 2HB GLU 30 7.782 2.235 0.978 228 1HG GLU 30 1HG GLU 30 9.961 2.423 -1.102 229 2HG GLU 30 2HG GLU 30 8.733 3.679 -0.897 230 H ALA 31 H ALA 31 6.369 -0.253 -0.885 231 HA ALA 31 HA ALA 31 4.899 -0.925 1.436 232 1HB ALA 31 1HB ALA 31 4.647 -1.794 -1.449 233 2HB ALA 31 2HB ALA 31 3.371 -1.930 -0.203 234 3HB ALA 31 3HB ALA 31 3.997 -0.324 -0.713 235 H ARG 32 H ARG 32 6.734 -3.066 -0.814 236 HA ARG 32 HA ARG 32 6.400 -5.456 0.770 237 1HB ARG 32 1HB ARG 32 8.742 -4.515 -0.984 238 2HB ARG 32 2HB ARG 32 8.614 -6.131 -0.308 239 1HG ARG 32 1HG ARG 32 6.781 -6.701 -1.628 240 2HG ARG 32 2HG ARG 32 6.439 -5.031 -2.123 241 1HD ARG 32 1HD ARG 32 8.179 -4.944 -3.645 242 2HD ARG 32 2HD ARG 32 9.120 -6.160 -2.793 243 HE ARG 32 HE ARG 32 6.976 -6.624 -4.753 244 1HH1 ARG 32 2HH2 ARG 32 9.541 -8.161 -2.900 245 2HH1 ARG 32 1HH2 ARG 32 8.785 -9.719 -2.788 246 1HH2 ARG 32 2HH1 ARG 32 6.063 -8.675 -4.882 247 2HH2 ARG 32 1HH1 ARG 32 6.784 -10.074 -4.147 248 H GLU 33 H GLU 33 8.738 -2.793 1.050 249 HA GLU 33 HA GLU 33 10.185 -4.079 3.089 250 1HB GLU 33 1HB GLU 33 10.091 -1.425 1.765 251 2HB GLU 33 2HB GLU 33 10.567 -1.296 3.458 252 1HG GLU 33 1HG GLU 33 12.504 -2.497 3.147 253 2HG GLU 33 2HG GLU 33 11.781 -3.499 1.884 254 H HIS 34 H HIS 34 7.555 -1.642 3.371 255 HA HIS 34 HA HIS 34 7.796 -1.505 6.235 256 1HB HIS 34 1HB HIS 34 5.656 -0.657 4.294 257 2HB HIS 34 2HB HIS 34 5.624 -0.368 6.041 258 HD1 HIS 34 1HD HIS 34 8.464 0.498 3.461 259 HD2 HIS 34 2HD HIS 34 5.764 2.202 6.179 260 HE1 HIS 34 1HE HIS 34 9.128 2.934 3.711 261 H LEU 35 H LEU 35 5.935 -3.481 3.926 262 HA LEU 35 HA LEU 35 4.177 -4.709 5.821 263 1HB LEU 35 1HB LEU 35 5.388 -5.638 3.191 264 2HB LEU 35 2HB LEU 35 4.225 -6.618 4.076 265 HG LEU 35 HG LEU 35 3.598 -3.749 3.231 266 1HD1 LEU 35 1HD1 LEU 35 4.092 -5.132 1.219 267 2HD1 LEU 35 2HD1 LEU 35 2.874 -6.313 1.758 268 3HD1 LEU 35 3HD1 LEU 35 2.401 -4.640 1.341 269 1HD2 LEU 35 1HD2 LEU 35 1.822 -6.070 3.999 270 2HD2 LEU 35 2HD2 LEU 35 2.255 -4.663 4.999 271 3HD2 LEU 35 3HD2 LEU 35 1.315 -4.419 3.520 272 H LYS 36 H LYS 36 7.552 -5.372 4.901 273 HA LYS 36 HA LYS 36 7.783 -7.751 6.523 274 1HB LYS 36 1HB LYS 36 9.172 -6.878 4.481 275 2HB LYS 36 2HB LYS 36 10.113 -6.012 5.688 276 1HG LYS 36 1HG LYS 36 9.520 -8.998 5.893 277 2HG LYS 36 2HG LYS 36 10.785 -8.389 4.843 278 1HD LYS 36 1HD LYS 36 10.725 -7.794 7.822 279 2HD LYS 36 2HD LYS 36 11.553 -9.184 7.122 280 1HE LYS 36 1HE LYS 36 12.082 -6.360 6.136 281 2HE LYS 36 2HE LYS 36 12.915 -7.001 7.549 282 1HZ LYS 36 1HZ LYS 36 13.013 -8.501 5.000 283 2HZ LYS 36 2HZ LYS 36 14.028 -7.244 5.325 284 3HZ LYS 36 3HZ LYS 36 14.019 -8.545 6.304 285 H ASN 37 H ASN 37 8.486 -4.310 6.981 286 HA ASN 37 HA ASN 37 9.524 -4.439 9.653 287 1HB ASN 37 1HB ASN 37 7.962 -2.203 8.287 288 2HB ASN 37 2HB ASN 37 8.604 -2.101 9.899 289 1HD2 ASN 37 1HD2 ASN 37 9.810 -2.878 6.541 290 2HD2 ASN 37 2HD2 ASN 37 11.212 -1.893 6.780 291 H GLY 38 H GLY 38 6.315 -4.022 8.424 292 1HA GLY 38 1HA GLY 38 4.269 -4.889 9.446 293 2HA GLY 38 2HA GLY 38 5.024 -4.735 11.034 294 H THR 39 H THR 39 5.558 -2.078 8.757 295 HA THR 39 HA THR 39 3.793 -0.308 10.380 296 HB THR 39 HB THR 39 5.457 1.432 9.713 297 HG1 THR 39 1HG THR 39 7.308 0.863 8.799 298 1HG2 THR 39 1HG2 THR 39 6.777 -0.959 11.083 299 2HG2 THR 39 2HG2 THR 39 7.152 0.754 11.303 300 3HG2 THR 39 3HG2 THR 39 5.606 0.127 11.874 301 H CYS 40 H CYS 40 2.600 -1.803 8.441 302 HA CYS 40 HA CYS 40 1.859 0.271 6.475 303 1HB CYS 40 1HB CYS 40 3.123 -1.509 5.340 304 2HB CYS 40 2HB CYS 40 2.046 -2.730 6.034 305 HG CYS 40 HG CYS 40 -0.166 -1.449 4.899 306 H GLY 41 H GLY 41 -0.314 0.385 6.053 307 1HA GLY 41 1HA GLY 41 -2.089 -1.416 7.537 308 2HA GLY 41 2HA GLY 41 -2.399 0.303 7.647 309 H LEU 42 H LEU 42 -4.417 -0.818 6.593 310 HA LEU 42 HA LEU 42 -4.222 -0.880 3.616 311 1HB LEU 42 1HB LEU 42 -4.907 -3.002 4.833 312 2HB LEU 42 2HB LEU 42 -6.230 -2.103 5.558 313 HG LEU 42 HG LEU 42 -7.112 -1.676 3.180 314 1HD1 LEU 42 1HD1 LEU 42 -5.068 -3.856 2.534 315 2HD1 LEU 42 2HD1 LEU 42 -6.332 -3.262 1.433 316 3HD1 LEU 42 3HD1 LEU 42 -5.024 -2.193 1.933 317 1HD2 LEU 42 1HD2 LEU 42 -8.097 -3.344 4.706 318 2HD2 LEU 42 2HD2 LEU 42 -8.145 -3.889 3.020 319 3HD2 LEU 42 3HD2 LEU 42 -6.934 -4.557 4.145 320 H VAL 43 H VAL 43 -5.592 0.442 2.474 321 HA VAL 43 HA VAL 43 -7.749 1.917 3.872 322 HB VAL 43 HB VAL 43 -5.669 2.873 1.872 323 1HG1 VAL 43 1HG1 VAL 43 -8.422 4.100 2.284 324 2HG1 VAL 43 2HG1 VAL 43 -7.046 4.925 1.502 325 3HG1 VAL 43 3HG1 VAL 43 -7.739 3.474 0.771 326 1HG2 VAL 43 1HG2 VAL 43 -5.364 3.279 4.334 327 2HG2 VAL 43 2HG2 VAL 43 -5.487 4.777 3.394 328 3HG2 VAL 43 3HG2 VAL 43 -6.874 4.198 4.342 329 H GLU 44 H GLU 44 -9.702 1.312 3.032 330 HA GLU 44 HA GLU 44 -9.850 -0.683 0.992 331 1HB GLU 44 1HB GLU 44 -12.032 1.152 2.077 332 2HB GLU 44 2HB GLU 44 -12.252 -0.310 1.115 333 1HG GLU 44 1HG GLU 44 -12.451 -1.348 3.088 334 2HG GLU 44 2HG GLU 44 -10.710 -1.368 3.102 335 H LEU 45 H LEU 45 -10.822 -0.459 -1.139 336 HA LEU 45 HA LEU 45 -10.225 2.121 -2.480 337 1HB LEU 45 1HB LEU 45 -10.899 -0.681 -3.368 338 2HB LEU 45 2HB LEU 45 -11.274 0.660 -4.445 339 HG LEU 45 HG LEU 45 -8.505 0.468 -3.213 340 1HD1 LEU 45 1HD1 LEU 45 -7.761 -0.768 -5.222 341 2HD1 LEU 45 2HD1 LEU 45 -8.857 -1.704 -4.189 342 3HD1 LEU 45 3HD1 LEU 45 -9.472 -0.997 -5.689 343 1HD2 LEU 45 1HD2 LEU 45 -9.596 1.675 -5.806 344 2HD2 LEU 45 2HD2 LEU 45 -9.061 2.564 -4.370 345 3HD2 LEU 45 3HD2 LEU 45 -7.889 1.655 -5.322 346 H GLU 46 H GLU 46 -11.684 3.529 -1.542 347 HA GLU 46 HA GLU 46 -14.556 2.936 -1.959 348 1HB GLU 46 1HB GLU 46 -13.286 5.643 -1.381 349 2HB GLU 46 2HB GLU 46 -14.982 5.217 -1.423 350 1HG GLU 46 1HG GLU 46 -14.480 3.575 0.494 351 2HG GLU 46 2HG GLU 46 -12.970 4.458 0.696 352 H LYS 47 H LYS 47 -15.782 4.571 -3.354 353 HA LYS 47 HA LYS 47 -14.855 4.866 -5.997 354 1HB LYS 47 1HB LYS 47 -17.226 5.093 -5.081 355 2HB LYS 47 2HB LYS 47 -16.798 6.712 -4.533 356 1HG LYS 47 1HG LYS 47 -16.325 7.388 -6.873 357 2HG LYS 47 2HG LYS 47 -16.633 5.722 -7.425 358 1HD LYS 47 1HD LYS 47 -18.946 5.867 -6.538 359 2HD LYS 47 2HD LYS 47 -18.646 7.543 -6.041 360 1HE LYS 47 1HE LYS 47 -18.145 8.115 -8.437 361 2HE LYS 47 2HE LYS 47 -18.581 6.450 -8.880 362 1HZ LYS 47 1HZ LYS 47 -20.378 8.461 -7.646 363 2HZ LYS 47 2HZ LYS 47 -20.459 7.893 -9.163 364 3HZ LYS 47 3HZ LYS 47 -20.776 6.887 -7.889 365 H GLY 48 H GLY 48 -14.653 7.172 -3.206 366 1HA GLY 48 1HA GLY 48 -13.043 9.043 -4.856 367 2HA GLY 48 2HA GLY 48 -14.005 9.412 -3.429 368 H VAL 49 H VAL 49 -11.626 6.711 -3.713 369 HA VAL 49 HA VAL 49 -10.085 7.935 -1.494 370 HB VAL 49 HB VAL 49 -10.606 5.212 -2.550 371 1HG1 VAL 49 1HG1 VAL 49 -8.660 4.172 -1.446 372 2HG1 VAL 49 2HG1 VAL 49 -8.175 5.145 -2.835 373 3HG1 VAL 49 3HG1 VAL 49 -7.950 5.774 -1.187 374 1HG2 VAL 49 1HG2 VAL 49 -10.782 4.732 -0.162 375 2HG2 VAL 49 2HG2 VAL 49 -9.865 6.174 0.262 376 3HG2 VAL 49 3HG2 VAL 49 -11.498 6.338 -0.374 377 H LEU 50 H LEU 50 -9.637 6.693 -4.817 378 HA LEU 50 HA LEU 50 -6.921 7.137 -5.075 379 1HB LEU 50 1HB LEU 50 -9.284 7.283 -6.976 380 2HB LEU 50 2HB LEU 50 -7.656 7.628 -7.541 381 HG LEU 50 HG LEU 50 -8.905 5.040 -6.879 382 1HD1 LEU 50 1HD1 LEU 50 -6.663 5.797 -8.760 383 2HD1 LEU 50 2HD1 LEU 50 -7.505 4.231 -8.693 384 3HD1 LEU 50 3HD1 LEU 50 -8.385 5.694 -9.149 385 1HD2 LEU 50 1HD2 LEU 50 -6.813 3.842 -6.439 386 2HD2 LEU 50 2HD2 LEU 50 -5.991 5.395 -6.187 387 3HD2 LEU 50 3HD2 LEU 50 -7.304 4.881 -5.105 388 HA PRO 51 HA PRO 51 -7.325 11.649 -6.340 389 1HB PRO 51 1HB PRO 51 -9.528 13.176 -6.015 390 2HB PRO 51 2HB PRO 51 -9.378 12.006 -7.358 391 1HG PRO 51 1HG PRO 51 -10.857 11.673 -4.741 392 2HG PRO 51 2HG PRO 51 -11.406 11.236 -6.386 393 1HD PRO 51 1HD PRO 51 -10.205 9.549 -4.521 394 2HD PRO 51 2HD PRO 51 -10.269 9.160 -6.239 395 H GLN 52 H GLN 52 -8.108 10.359 -3.332 396 HA GLN 52 HA GLN 52 -7.321 12.774 -1.792 397 1HB GLN 52 1HB GLN 52 -8.633 10.177 -0.851 398 2HB GLN 52 2HB GLN 52 -8.155 11.523 0.168 399 1HG GLN 52 1HG GLN 52 -9.732 12.987 -1.233 400 2HG GLN 52 2HG GLN 52 -10.347 11.510 -1.946 401 1HE2 GLN 52 1HE2 GLN 52 -11.560 10.028 -0.537 402 2HE2 GLN 52 2HE2 GLN 52 -12.088 10.533 1.100 403 H LEU 53 H LEU 53 -6.101 9.944 -3.207 404 HA LEU 53 HA LEU 53 -3.909 9.452 -1.247 405 1HB LEU 53 1HB LEU 53 -5.012 8.054 -3.695 406 2HB LEU 53 2HB LEU 53 -3.411 7.698 -3.088 407 HG LEU 53 HG LEU 53 -5.692 6.350 -2.413 408 1HD1 LEU 53 1HD1 LEU 53 -3.703 5.275 -1.964 409 2HD1 LEU 53 2HD1 LEU 53 -3.028 6.640 -1.091 410 3HD1 LEU 53 3HD1 LEU 53 -4.256 5.625 -0.303 411 1HD2 LEU 53 1HD2 LEU 53 -6.650 8.108 -0.997 412 2HD2 LEU 53 2HD2 LEU 53 -6.189 6.690 -0.068 413 3HD2 LEU 53 3HD2 LEU 53 -5.188 8.158 -0.032 414 H GLU 54 H GLU 54 -1.675 9.199 -2.454 415 HA GLU 54 HA GLU 54 -1.086 11.763 -3.714 416 1HB GLU 54 1HB GLU 54 0.616 9.334 -3.084 417 2HB GLU 54 2HB GLU 54 1.213 10.830 -3.782 418 1HG GLU 54 1HG GLU 54 0.017 10.465 -1.011 419 2HG GLU 54 2HG GLU 54 1.704 10.719 -1.415 420 H GLN 55 H GLN 55 0.150 8.666 -4.983 421 HA GLN 55 HA GLN 55 -1.508 8.831 -7.247 422 1HB GLN 55 1HB GLN 55 0.635 10.540 -7.511 423 2HB GLN 55 2HB GLN 55 1.294 8.959 -8.124 424 1HG GLN 55 1HG GLN 55 0.452 9.806 -10.061 425 2HG GLN 55 2HG GLN 55 -0.736 8.670 -9.421 426 1HE2 GLN 55 1HE2 GLN 55 -2.618 9.370 -8.672 427 2HE2 GLN 55 2HE2 GLN 55 -3.242 11.018 -8.734 428 HA PRO 56 HA PRO 56 1.015 5.021 -7.740 429 1HB PRO 56 1HB PRO 56 3.224 4.290 -6.459 430 2HB PRO 56 2HB PRO 56 3.204 5.400 -7.868 431 1HG PRO 56 1HG PRO 56 3.441 6.103 -4.968 432 2HG PRO 56 2HG PRO 56 4.297 6.801 -6.356 433 1HD PRO 56 1HD PRO 56 2.031 7.932 -5.157 434 2HD PRO 56 2HD PRO 56 2.541 8.243 -6.840 435 H TYR 57 H TYR 57 -0.882 4.627 -6.876 436 HA TYR 57 HA TYR 57 -1.424 3.838 -4.155 437 1HB TYR 57 1HB TYR 57 -2.988 2.931 -6.574 438 2HB TYR 57 2HB TYR 57 -3.588 3.346 -4.977 439 HD1 TYR 57 1HD TYR 57 -2.722 6.065 -4.477 440 HD2 TYR 57 2HD TYR 57 -3.757 4.265 -8.249 441 HE1 TYR 57 1HE TYR 57 -3.391 8.314 -5.382 442 HE2 TYR 57 2HE TYR 57 -4.471 6.459 -9.121 443 HH TYR 57 HH TYR 57 -4.835 9.263 -6.907 444 H VAL 58 H VAL 58 -0.194 2.117 -3.385 445 HA VAL 58 HA VAL 58 0.438 -0.184 -5.058 446 HB VAL 58 HB VAL 58 0.793 0.002 -2.053 447 1HG1 VAL 58 1HG1 VAL 58 2.264 -1.547 -4.255 448 2HG1 VAL 58 2HG1 VAL 58 2.529 -1.687 -2.509 449 3HG1 VAL 58 3HG1 VAL 58 1.008 -2.240 -3.216 450 1HG2 VAL 58 1HG2 VAL 58 3.098 0.748 -2.505 451 2HG2 VAL 58 2HG2 VAL 58 2.701 0.956 -4.223 452 3HG2 VAL 58 3HG2 VAL 58 1.917 1.958 -2.981 453 H PHE 59 H PHE 59 -1.307 -1.368 -5.624 454 HA PHE 59 HA PHE 59 -3.621 -1.725 -3.811 455 1HB PHE 59 1HB PHE 59 -3.053 -2.649 -6.664 456 2HB PHE 59 2HB PHE 59 -4.576 -2.837 -5.817 457 HD1 PHE 59 1HD PHE 59 -4.757 -0.066 -4.530 458 HD2 PHE 59 2HD PHE 59 -3.740 -1.352 -8.495 459 HE1 PHE 59 1HE PHE 59 -5.563 2.097 -5.426 460 HE2 PHE 59 2HE PHE 59 -4.594 0.789 -9.418 461 HZ PHE 59 HZ PHE 59 -5.516 2.521 -7.888 462 H ILE 60 H ILE 60 -4.585 -3.693 -3.601 463 HA ILE 60 HA ILE 60 -2.808 -6.042 -3.707 464 HB ILE 60 HB ILE 60 -3.778 -6.884 -1.676 465 1HG1 ILE 60 1HG1 ILE 60 -5.243 -4.258 -1.304 466 2HG1 ILE 60 2HG1 ILE 60 -5.982 -5.803 -1.757 467 1HG2 ILE 60 1HG2 ILE 60 -2.817 -4.091 -1.138 468 2HG2 ILE 60 2HG2 ILE 60 -2.538 -5.549 -0.150 469 3HG2 ILE 60 3HG2 ILE 60 -1.749 -5.397 -1.727 470 1HD1 ILE 60 1HD1 ILE 60 -5.243 -6.820 0.340 471 2HD1 ILE 60 2HD1 ILE 60 -4.550 -5.251 0.835 472 3HD1 ILE 60 3HD1 ILE 60 -6.293 -5.415 0.605 473 H LYS 61 H LYS 61 -3.660 -7.696 -4.821 474 HA LYS 61 HA LYS 61 -6.564 -7.762 -5.378 475 1HB LYS 61 1HB LYS 61 -5.867 -8.552 -7.773 476 2HB LYS 61 2HB LYS 61 -5.970 -6.828 -7.403 477 1HG LYS 61 1HG LYS 61 -3.677 -6.652 -7.193 478 2HG LYS 61 2HG LYS 61 -3.392 -8.388 -7.125 479 1HD LYS 61 1HD LYS 61 -4.625 -8.096 -9.628 480 2HD LYS 61 2HD LYS 61 -3.643 -6.611 -9.454 481 1HE LYS 61 1HE LYS 61 -1.727 -7.989 -8.800 482 2HE LYS 61 2HE LYS 61 -2.743 -9.440 -9.004 483 1HZ LYS 61 1HZ LYS 61 -2.201 -7.670 -11.297 484 2HZ LYS 61 2HZ LYS 61 -1.110 -8.795 -10.829 485 3HZ LYS 61 3HZ LYS 61 -2.579 -9.306 -11.257 486 H ARG 62 H ARG 62 -7.259 -9.955 -6.057 487 HA ARG 62 HA ARG 62 -6.401 -11.738 -4.054 488 1HB ARG 62 1HB ARG 62 -8.120 -12.614 -6.402 489 2HB ARG 62 2HB ARG 62 -8.142 -13.199 -4.736 490 1HG ARG 62 1HG ARG 62 -8.853 -10.761 -4.133 491 2HG ARG 62 2HG ARG 62 -9.219 -10.641 -5.863 492 1HD ARG 62 1HD ARG 62 -10.638 -12.733 -5.602 493 2HD ARG 62 2HD ARG 62 -10.520 -12.461 -3.843 494 HE ARG 62 HE ARG 62 -11.280 -10.013 -4.954 495 1HH1 ARG 62 2HH2 ARG 62 -12.756 -13.231 -5.402 496 2HH1 ARG 62 1HH2 ARG 62 -14.368 -12.615 -5.235 497 1HH2 ARG 62 2HH1 ARG 62 -13.424 -9.257 -5.148 498 2HH2 ARG 62 1HH1 ARG 62 -14.748 -10.363 -5.019 499 H SER 63 H SER 63 -4.348 -11.295 -6.202 500 HA SER 63 HA SER 63 -2.683 -12.337 -7.311 501 1HB SER 63 1HB SER 63 -2.711 -14.019 -5.360 502 2HB SER 63 2HB SER 63 -3.714 -15.043 -6.416 503 HG SER 63 HG SER 63 -1.793 -15.712 -6.930 504 H ASP 64 H ASP 64 -2.397 -13.434 -9.366 505 HA ASP 64 HA ASP 64 -4.841 -13.028 -10.897 506 1HB ASP 64 1HB ASP 64 -1.990 -13.586 -11.766 507 2HB ASP 64 2HB ASP 64 -3.331 -13.252 -12.870 508 H ALA 65 H ALA 65 -3.741 -15.703 -9.355 509 HA ALA 65 HA ALA 65 -5.337 -17.457 -11.171 510 1HB ALA 65 1HB ALA 65 -2.927 -18.298 -9.526 511 2HB ALA 65 2HB ALA 65 -3.903 -19.307 -10.630 512 3HB ALA 65 3HB ALA 65 -2.921 -17.991 -11.283 513 H LEU 66 H LEU 66 -5.604 -15.846 -8.421 514 HA LEU 66 HA LEU 66 -6.650 -16.244 -6.370 515 1HB LEU 66 1HB LEU 66 -9.049 -16.022 -6.973 516 2HB LEU 66 2HB LEU 66 -7.935 -14.822 -7.581 517 HG LEU 66 HG LEU 66 -8.409 -17.132 -9.442 518 1HD1 LEU 66 1HD1 LEU 66 -10.570 -16.207 -10.236 519 2HD1 LEU 66 2HD1 LEU 66 -10.696 -16.835 -8.581 520 3HD1 LEU 66 3HD1 LEU 66 -10.596 -15.079 -8.863 521 1HD2 LEU 66 1HD2 LEU 66 -7.024 -15.099 -9.903 522 2HD2 LEU 66 2HD2 LEU 66 -8.325 -15.373 -11.086 523 3HD2 LEU 66 3HD2 LEU 66 -8.491 -14.117 -9.820 524 H SER 67 H SER 67 -6.212 -18.169 -5.253 525 HA SER 67 HA SER 67 -6.569 -20.202 -4.353 526 1HB SER 67 1HB SER 67 -9.417 -19.299 -4.866 527 2HB SER 67 2HB SER 67 -9.077 -20.883 -4.159 528 HG SER 67 HG SER 67 -8.393 -18.338 -3.166 529 H THR 68 H THR 68 -5.531 -20.396 -6.713 530 HA THR 68 HA THR 68 -6.602 -21.650 -8.821 531 HB THR 68 HB THR 68 -3.936 -22.592 -7.689 532 HG1 THR 68 1HG THR 68 -4.709 -20.108 -8.757 533 1HG2 THR 68 1HG2 THR 68 -3.252 -22.519 -10.049 534 2HG2 THR 68 2HG2 THR 68 -4.648 -23.589 -9.849 535 3HG2 THR 68 3HG2 THR 68 -4.870 -21.962 -10.525 536 H ASN 69 H ASN 69 -5.250 -23.521 -6.028 537 HA ASN 69 HA ASN 69 -7.295 -25.613 -6.548 538 1HB ASN 69 1HB ASN 69 -4.887 -26.276 -7.212 539 2HB ASN 69 2HB ASN 69 -4.557 -26.296 -5.480 540 1HD2 ASN 69 1HD2 ASN 69 -6.084 -27.806 -4.131 541 2HD2 ASN 69 2HD2 ASN 69 -6.623 -29.263 -4.940 542 H HIS 70 H HIS 70 -7.860 -23.468 -5.116 543 HA HIS 70 HA HIS 70 -8.424 -22.588 -3.107 544 1HB HIS 70 1HB HIS 70 -9.371 -25.417 -3.172 545 2HB HIS 70 2HB HIS 70 -9.565 -24.533 -1.665 546 HD1 HIS 70 1HD HIS 70 -11.934 -23.524 -1.593 547 HD2 HIS 70 2HD HIS 70 -10.145 -23.440 -5.407 548 HE1 HIS 70 1HE HIS 70 -13.330 -21.919 -3.028 549 H GLY 71 H GLY 71 -6.158 -22.063 -2.708 550 1HA GLY 71 1HA GLY 71 -5.434 -23.028 0.026 551 2HA GLY 71 2HA GLY 71 -4.249 -22.557 -1.183 552 H HIS 72 H HIS 72 -7.160 -21.374 0.468 553 HA HIS 72 HA HIS 72 -7.812 -19.481 1.438 554 1HB HIS 72 1HB HIS 72 -4.842 -19.111 1.850 555 2HB HIS 72 2HB HIS 72 -6.066 -18.077 2.549 556 HD1 HIS 72 1HD HIS 72 -6.527 -21.959 2.551 557 HD2 HIS 72 2HD HIS 72 -5.724 -18.622 5.008 558 HE1 HIS 72 1HE HIS 72 -6.510 -22.817 4.947 559 H LYS 73 H LYS 73 -7.766 -17.123 1.578 560 HA LYS 73 HA LYS 73 -7.615 -15.781 -0.972 561 1HB LYS 73 1HB LYS 73 -9.180 -15.242 0.975 562 2HB LYS 73 2HB LYS 73 -7.800 -14.530 1.796 563 1HG LYS 73 1HG LYS 73 -8.548 -12.626 0.779 564 2HG LYS 73 2HG LYS 73 -7.553 -13.251 -0.542 565 1HD LYS 73 1HD LYS 73 -9.724 -12.604 -1.442 566 2HD LYS 73 2HD LYS 73 -9.639 -14.370 -1.480 567 1HE LYS 73 1HE LYS 73 -10.677 -13.522 1.107 568 2HE LYS 73 2HE LYS 73 -11.541 -12.630 -0.134 569 1HZ LYS 73 1HZ LYS 73 -11.352 -15.585 0.050 570 2HZ LYS 73 2HZ LYS 73 -12.660 -14.640 0.360 571 3HZ LYS 73 3HZ LYS 73 -12.106 -14.761 -1.173 572 H VAL 74 H VAL 74 -5.458 -16.316 -1.562 573 HA VAL 74 HA VAL 74 -3.201 -14.840 -0.392 574 HB VAL 74 HB VAL 74 -3.630 -15.933 -3.210 575 1HG1 VAL 74 1HG1 VAL 74 -1.150 -15.942 -3.321 576 2HG1 VAL 74 2HG1 VAL 74 -1.781 -14.312 -3.120 577 3HG1 VAL 74 3HG1 VAL 74 -1.076 -15.150 -1.723 578 1HG2 VAL 74 1HG2 VAL 74 -3.811 -17.778 -1.597 579 2HG2 VAL 74 2HG2 VAL 74 -2.284 -17.883 -2.451 580 3HG2 VAL 74 3HG2 VAL 74 -2.321 -17.260 -0.787 581 H VAL 75 H VAL 75 -2.528 -12.749 -1.005 582 HA VAL 75 HA VAL 75 -3.911 -11.600 -3.267 583 HB VAL 75 HB VAL 75 -4.295 -9.445 -2.367 584 1HG1 VAL 75 1HG1 VAL 75 -5.314 -11.425 -0.284 585 2HG1 VAL 75 2HG1 VAL 75 -5.938 -9.805 -0.571 586 3HG1 VAL 75 3HG1 VAL 75 -6.087 -11.033 -1.836 587 1HG2 VAL 75 1HG2 VAL 75 -2.921 -10.314 0.178 588 2HG2 VAL 75 2HG2 VAL 75 -2.376 -9.084 -0.981 589 3HG2 VAL 75 3HG2 VAL 75 -3.831 -8.796 -0.034 590 H GLU 76 H GLU 76 -2.465 -9.538 -3.924 591 HA GLU 76 HA GLU 76 0.391 -10.309 -3.647 592 1HB GLU 76 1HB GLU 76 -1.360 -10.245 -6.141 593 2HB GLU 76 2HB GLU 76 0.359 -9.917 -6.269 594 1HG GLU 76 1HG GLU 76 -0.810 -12.460 -5.072 595 2HG GLU 76 2HG GLU 76 -0.471 -12.228 -6.785 596 H LEU 77 H LEU 77 1.786 -8.552 -4.696 597 HA LEU 77 HA LEU 77 0.666 -5.885 -3.932 598 1HB LEU 77 1HB LEU 77 3.511 -6.969 -3.970 599 2HB LEU 77 2HB LEU 77 3.110 -5.274 -3.704 600 HG LEU 77 HG LEU 77 2.122 -7.553 -1.932 601 1HD1 LEU 77 1HD1 LEU 77 3.831 -6.963 -0.346 602 2HD1 LEU 77 2HD1 LEU 77 4.621 -7.255 -1.899 603 3HD1 LEU 77 3HD1 LEU 77 4.360 -5.580 -1.322 604 1HD2 LEU 77 1HD2 LEU 77 0.766 -5.425 -1.892 605 2HD2 LEU 77 2HD2 LEU 77 1.532 -5.805 -0.360 606 3HD2 LEU 77 3HD2 LEU 77 2.232 -4.544 -1.412 607 H VAL 78 H VAL 78 0.375 -4.414 -5.494 608 HA VAL 78 HA VAL 78 1.824 -4.532 -8.056 609 HB VAL 78 HB VAL 78 -1.038 -3.940 -8.308 610 1HG1 VAL 78 1HG1 VAL 78 0.592 -6.143 -9.590 611 2HG1 VAL 78 2HG1 VAL 78 -1.049 -5.649 -10.063 612 3HG1 VAL 78 3HG1 VAL 78 0.303 -4.519 -10.259 613 1HG2 VAL 78 1HG2 VAL 78 -2.026 -5.956 -8.107 614 2HG2 VAL 78 2HG2 VAL 78 -0.599 -6.759 -7.396 615 3HG2 VAL 78 3HG2 VAL 78 -1.483 -5.463 -6.515 616 H ALA 79 H ALA 79 2.088 -2.336 -8.748 617 HA ALA 79 HA ALA 79 0.613 -0.277 -7.125 618 1HB ALA 79 1HB ALA 79 2.848 -0.247 -6.318 619 2HB ALA 79 2HB ALA 79 3.522 -0.262 -7.944 620 3HB ALA 79 3HB ALA 79 2.637 1.171 -7.353 621 H GLU 80 H GLU 80 0.140 1.733 -8.193 622 HA GLU 80 HA GLU 80 0.166 1.765 -11.107 623 1HB GLU 80 1HB GLU 80 -2.086 0.747 -9.515 624 2HB GLU 80 2HB GLU 80 -2.523 2.268 -10.262 625 1HG GLU 80 1HG GLU 80 -1.470 -0.217 -11.674 626 2HG GLU 80 2HG GLU 80 -3.095 0.468 -11.775 627 H MET 81 H MET 81 -0.163 3.937 -11.816 628 HA MET 81 HA MET 81 0.084 5.959 -9.636 629 1HB MET 81 1HB MET 81 1.527 7.190 -11.158 630 2HB MET 81 2HB MET 81 2.174 5.661 -10.697 631 1HG MET 81 1HG MET 81 1.398 4.669 -12.873 632 2HG MET 81 2HG MET 81 0.697 6.210 -13.310 633 1HE MET 81 1HE MET 81 3.613 7.760 -11.823 634 2HE MET 81 2HE MET 81 4.356 8.201 -13.370 635 3HE MET 81 3HE MET 81 2.618 8.493 -13.109 636 H ASP 82 H ASP 82 -2.296 5.015 -11.087 637 HA ASP 82 HA ASP 82 -3.700 7.481 -11.677 638 1HB ASP 82 1HB ASP 82 -2.381 7.166 -13.780 639 2HB ASP 82 2HB ASP 82 -3.026 5.546 -13.949 640 H GLY 83 H GLY 83 -3.304 3.968 -12.089 641 1HA GLY 83 1HA GLY 83 -4.507 2.346 -10.917 642 2HA GLY 83 2HA GLY 83 -5.918 3.437 -10.792 643 H ILE 84 H ILE 84 -3.838 2.990 -13.626 644 HA ILE 84 HA ILE 84 -5.634 2.794 -15.689 645 HB ILE 84 HB ILE 84 -2.896 1.638 -15.131 646 1HG1 ILE 84 1HG1 ILE 84 -3.726 3.699 -17.187 647 2HG1 ILE 84 2HG1 ILE 84 -3.399 4.119 -15.525 648 1HG2 ILE 84 1HG2 ILE 84 -4.431 1.147 -17.673 649 2HG2 ILE 84 2HG2 ILE 84 -2.661 1.074 -17.553 650 3HG2 ILE 84 3HG2 ILE 84 -3.636 -0.032 -16.591 651 1HD1 ILE 84 1HD1 ILE 84 -1.093 3.191 -15.711 652 2HD1 ILE 84 2HD1 ILE 84 -1.377 2.899 -17.444 653 3HD1 ILE 84 3HD1 ILE 84 -1.406 4.549 -16.803 654 H GLN 85 H GLN 85 -4.319 0.088 -13.772 655 HA GLN 85 HA GLN 85 -6.665 -1.548 -14.459 656 1HB GLN 85 1HB GLN 85 -3.713 -2.268 -14.718 657 2HB GLN 85 2HB GLN 85 -4.861 -3.510 -14.233 658 1HG GLN 85 1HG GLN 85 -5.036 -1.871 -16.793 659 2HG GLN 85 2HG GLN 85 -4.526 -3.557 -16.654 660 1HE2 GLN 85 1HE2 GLN 85 -6.976 -2.189 -18.039 661 2HE2 GLN 85 2HE2 GLN 85 -8.355 -2.994 -17.346 662 H TYR 86 H TYR 86 -6.978 -3.158 -12.942 663 HA TYR 86 HA TYR 86 -7.300 -4.075 -10.915 664 1HB TYR 86 1HB TYR 86 -4.868 -2.672 -9.830 665 2HB TYR 86 2HB TYR 86 -5.574 -4.188 -9.314 666 HD1 TYR 86 1HD TYR 86 -3.046 -2.647 -11.350 667 HD2 TYR 86 2HD TYR 86 -5.610 -6.117 -11.142 668 HE1 TYR 86 1HE TYR 86 -1.494 -3.849 -12.807 669 HE2 TYR 86 2HE TYR 86 -3.972 -7.414 -12.444 670 HH TYR 86 HH TYR 86 -0.870 -6.010 -13.567 671 H GLY 87 H GLY 87 -6.415 -0.586 -10.601 672 1HA GLY 87 1HA GLY 87 -7.518 0.138 -8.202 673 2HA GLY 87 2HA GLY 87 -7.571 1.153 -9.657 674 H ARG 88 H ARG 88 -9.488 0.247 -7.324 675 HA ARG 88 HA ARG 88 -11.721 -0.071 -6.943 676 1HB ARG 88 1HB ARG 88 -11.515 2.101 -8.225 677 2HB ARG 88 2HB ARG 88 -12.147 1.220 -9.610 678 1HG ARG 88 1HG ARG 88 -13.866 0.624 -7.355 679 2HG ARG 88 2HG ARG 88 -13.533 2.348 -7.285 680 1HD ARG 88 1HD ARG 88 -14.347 0.935 -9.831 681 2HD ARG 88 2HD ARG 88 -15.545 1.558 -8.674 682 HE ARG 88 HE ARG 88 -13.930 3.708 -8.987 683 1HH1 ARG 88 2HH2 ARG 88 -15.329 1.730 -11.640 684 2HH1 ARG 88 1HH2 ARG 88 -15.630 3.121 -12.627 685 1HH2 ARG 88 2HH1 ARG 88 -13.994 5.334 -10.386 686 2HH2 ARG 88 1HH1 ARG 88 -14.564 5.145 -12.017 687 H SER 89 H SER 89 -10.325 -2.127 -9.177 688 HA SER 89 HA SER 89 -12.748 -3.327 -10.181 689 1HB SER 89 1HB SER 89 -10.326 -3.448 -11.119 690 2HB SER 89 2HB SER 89 -10.045 -4.708 -9.894 691 HG SER 89 HG SER 89 -12.164 -4.700 -11.825 692 H GLY 90 H GLY 90 -13.629 -5.461 -9.499 693 1HA GLY 90 1HA GLY 90 -13.851 -5.642 -6.654 694 2HA GLY 90 2HA GLY 90 -14.529 -6.761 -7.834 695 H ILE 91 H ILE 91 -11.670 -7.242 -8.938 696 HA ILE 91 HA ILE 91 -10.799 -9.326 -7.198 697 HB ILE 91 HB ILE 91 -10.333 -9.085 -9.622 698 1HG1 ILE 91 1HG1 ILE 91 -7.826 -9.477 -8.024 699 2HG1 ILE 91 2HG1 ILE 91 -9.128 -10.677 -8.114 700 1HG2 ILE 91 1HG2 ILE 91 -8.007 -7.257 -8.886 701 2HG2 ILE 91 2HG2 ILE 91 -8.493 -7.785 -10.495 702 3HG2 ILE 91 3HG2 ILE 91 -9.536 -6.688 -9.603 703 1HD1 ILE 91 1HD1 ILE 91 -8.848 -10.690 -10.623 704 2HD1 ILE 91 2HD1 ILE 91 -7.364 -9.735 -10.400 705 3HD1 ILE 91 3HD1 ILE 91 -7.491 -11.362 -9.700 706 H THR 92 H THR 92 -10.337 -5.830 -7.062 707 HA THR 92 HA THR 92 -7.885 -6.132 -5.570 708 HB THR 92 HB THR 92 -9.197 -3.603 -6.596 709 HG1 THR 92 1HG THR 92 -8.186 -3.964 -8.449 710 1HG2 THR 92 1HG2 THR 92 -6.940 -2.701 -6.600 711 2HG2 THR 92 2HG2 THR 92 -7.209 -3.390 -4.983 712 3HG2 THR 92 3HG2 THR 92 -6.254 -4.282 -6.181 713 H LEU 93 H LEU 93 -7.726 -5.564 -3.399 714 HA LEU 93 HA LEU 93 -10.380 -5.410 -2.052 715 1HB LEU 93 1HB LEU 93 -7.829 -6.268 -0.748 716 2HB LEU 93 2HB LEU 93 -9.475 -6.406 -0.199 717 HG LEU 93 HG LEU 93 -9.725 -7.730 -2.584 718 1HD1 LEU 93 1HD1 LEU 93 -7.709 -9.287 -2.745 719 2HD1 LEU 93 2HD1 LEU 93 -7.439 -7.647 -3.312 720 3HD1 LEU 93 3HD1 LEU 93 -6.824 -8.132 -1.726 721 1HD2 LEU 93 1HD2 LEU 93 -10.378 -8.489 -0.383 722 2HD2 LEU 93 2HD2 LEU 93 -9.625 -9.784 -1.365 723 3HD2 LEU 93 3HD2 LEU 93 -8.710 -9.007 -0.042 724 H GLY 94 H GLY 94 -7.199 -3.671 -2.180 725 1HA GLY 94 1HA GLY 94 -8.361 -1.194 -1.406 726 2HA GLY 94 2HA GLY 94 -7.569 -1.927 -0.009 727 H VAL 95 H VAL 95 -6.286 0.085 -0.323 728 HA VAL 95 HA VAL 95 -3.939 -0.395 -2.043 729 HB VAL 95 HB VAL 95 -4.614 2.290 -0.840 730 1HG1 VAL 95 1HG1 VAL 95 -2.343 1.855 -1.782 731 2HG1 VAL 95 2HG1 VAL 95 -3.100 1.526 -3.356 732 3HG1 VAL 95 3HG1 VAL 95 -3.193 3.145 -2.619 733 1HG2 VAL 95 1HG2 VAL 95 -5.451 2.995 -3.165 734 2HG2 VAL 95 2HG2 VAL 95 -5.884 1.282 -3.352 735 3HG2 VAL 95 3HG2 VAL 95 -6.570 2.217 -2.024 736 H LEU 96 H LEU 96 -1.925 -0.323 -0.853 737 HA LEU 96 HA LEU 96 -2.055 -0.564 2.090 738 1HB LEU 96 1HB LEU 96 0.228 -0.582 0.048 739 2HB LEU 96 2HB LEU 96 0.482 -0.639 1.751 740 HG LEU 96 HG LEU 96 0.645 -2.826 1.437 741 1HD1 LEU 96 1HD1 LEU 96 -1.330 -4.169 1.769 742 2HD1 LEU 96 2HD1 LEU 96 -1.454 -2.693 2.744 743 3HD1 LEU 96 3HD1 LEU 96 -2.394 -2.841 1.243 744 1HD2 LEU 96 1HD2 LEU 96 -0.302 -4.072 -0.437 745 2HD2 LEU 96 2HD2 LEU 96 -1.109 -2.594 -1.013 746 3HD2 LEU 96 3HD2 LEU 96 0.661 -2.680 -0.946 747 H VAL 97 H VAL 97 -0.928 0.904 3.465 748 HA VAL 97 HA VAL 97 0.140 3.379 2.314 749 HB VAL 97 HB VAL 97 -1.139 4.719 3.935 750 1HG1 VAL 97 1HG1 VAL 97 -3.037 3.261 2.065 751 2HG1 VAL 97 2HG1 VAL 97 -3.151 4.924 2.671 752 3HG1 VAL 97 3HG1 VAL 97 -1.844 4.469 1.550 753 1HG2 VAL 97 1HG2 VAL 97 -3.227 3.799 4.973 754 2HG2 VAL 97 2HG2 VAL 97 -2.849 2.191 4.351 755 3HG2 VAL 97 3HG2 VAL 97 -1.809 2.948 5.574 756 HA PRO 98 HA PRO 98 2.813 2.712 5.863 757 1HB PRO 98 1HB PRO 98 3.881 5.278 6.141 758 2HB PRO 98 2HB PRO 98 4.478 3.903 5.150 759 1HG PRO 98 1HG PRO 98 3.234 6.386 4.194 760 2HG PRO 98 2HG PRO 98 4.002 5.076 3.273 761 1HD PRO 98 1HD PRO 98 1.153 5.584 3.753 762 2HD PRO 98 2HD PRO 98 1.931 4.472 2.590 763 H HIS 99 H HIS 99 2.005 2.216 7.628 764 HA HIS 99 HA HIS 99 0.037 3.767 9.122 765 1HB HIS 99 1HB HIS 99 -0.169 1.344 9.261 766 2HB HIS 99 2HB HIS 99 1.515 1.130 9.542 767 HD1 HIS 99 1HD HIS 99 2.225 0.894 12.017 768 HD2 HIS 99 2HD HIS 99 -1.392 2.957 11.463 769 HE1 HIS 99 1HE HIS 99 1.282 1.308 14.348 770 H VAL 100 H VAL 100 0.614 5.334 10.420 771 HA VAL 100 HA VAL 100 3.155 5.212 11.943 772 HB VAL 100 HB VAL 100 3.465 7.643 11.627 773 1HG1 VAL 100 1HG1 VAL 100 3.358 6.218 8.935 774 2HG1 VAL 100 2HG1 VAL 100 4.381 7.588 9.402 775 3HG1 VAL 100 3HG1 VAL 100 4.638 6.005 10.148 776 1HG2 VAL 100 1HG2 VAL 100 1.240 7.439 9.540 777 2HG2 VAL 100 2HG2 VAL 100 1.117 8.276 11.103 778 3HG2 VAL 100 3HG2 VAL 100 2.241 8.861 9.879 779 H GLY 101 H GLY 101 0.432 4.415 12.693 780 1HA GLY 101 1HA GLY 101 -0.237 4.338 14.969 781 2HA GLY 101 2HA GLY 101 0.502 5.905 15.246 782 H GLU 102 H GLU 102 -1.493 5.815 12.466 783 HA GLU 102 HA GLU 102 -2.957 8.023 13.263 784 1HB GLU 102 1HB GLU 102 -3.762 6.162 11.011 785 2HB GLU 102 2HB GLU 102 -4.036 7.895 11.163 786 1HG GLU 102 1HG GLU 102 -2.330 8.034 9.829 787 2HG GLU 102 2HG GLU 102 -1.335 7.929 11.267 788 H THR 103 H THR 103 -3.480 5.237 14.332 789 HA THR 103 HA THR 103 -4.961 4.056 15.617 790 HB THR 103 HB THR 103 -6.376 6.655 15.382 791 HG1 THR 103 1HG THR 103 -4.563 6.637 16.576 792 1HG2 THR 103 1HG2 THR 103 -7.869 5.905 17.252 793 2HG2 THR 103 2HG2 THR 103 -8.195 5.026 15.746 794 3HG2 THR 103 3HG2 THR 103 -7.263 4.244 17.037 795 HA PRO 104 HA PRO 104 -7.110 2.392 12.012 796 1HB PRO 104 1HB PRO 104 -7.092 -0.252 12.699 797 2HB PRO 104 2HB PRO 104 -5.676 0.644 12.085 798 1HG PRO 104 1HG PRO 104 -6.398 0.041 14.960 799 2HG PRO 104 2HG PRO 104 -4.827 -0.258 14.160 800 1HD PRO 104 1HD PRO 104 -5.336 1.977 15.648 801 2HD PRO 104 2HD PRO 104 -4.276 2.049 14.208 802 H ILE 105 H ILE 105 -8.989 1.154 11.691 803 HA ILE 105 HA ILE 105 -10.991 1.325 13.902 804 HB ILE 105 HB ILE 105 -12.631 1.602 12.054 805 1HG1 ILE 105 1HG1 ILE 105 -10.861 0.756 10.250 806 2HG1 ILE 105 2HG1 ILE 105 -12.139 1.866 9.838 807 1HG2 ILE 105 1HG2 ILE 105 -12.205 4.005 11.786 808 2HG2 ILE 105 2HG2 ILE 105 -11.830 3.470 13.436 809 3HG2 ILE 105 3HG2 ILE 105 -10.520 3.800 12.318 810 1HD1 ILE 105 1HD1 ILE 105 -9.922 2.475 8.877 811 2HD1 ILE 105 2HD1 ILE 105 -10.656 3.762 9.848 812 3HD1 ILE 105 3HD1 ILE 105 -9.331 2.824 10.526 813 H ALA 106 H ALA 106 -9.353 -0.807 11.675 814 HA ALA 106 HA ALA 106 -10.647 -3.088 12.804 815 1HB ALA 106 1HB ALA 106 -12.311 -2.541 11.031 816 2HB ALA 106 2HB ALA 106 -11.017 -2.524 9.815 817 3HB ALA 106 3HB ALA 106 -11.457 -4.035 10.636 818 H TYR 107 H TYR 107 -9.728 -5.077 11.319 819 HA TYR 107 HA TYR 107 -7.010 -4.496 10.355 820 1HB TYR 107 1HB TYR 107 -7.687 -6.535 12.492 821 2HB TYR 107 2HB TYR 107 -6.422 -6.879 11.321 822 HD1 TYR 107 1HD TYR 107 -4.240 -6.391 11.893 823 HD2 TYR 107 2HD TYR 107 -7.396 -3.963 13.576 824 HE1 TYR 107 1HE TYR 107 -2.568 -5.007 13.041 825 HE2 TYR 107 2HE TYR 107 -5.727 -2.541 14.664 826 HH TYR 107 HH TYR 107 -3.493 -2.190 15.057 827 H ARG 108 H ARG 108 -6.335 -6.093 8.771 828 HA ARG 108 HA ARG 108 -8.461 -7.766 7.573 829 1HB ARG 108 1HB ARG 108 -7.563 -5.329 6.483 830 2HB ARG 108 2HB ARG 108 -6.620 -6.543 5.636 831 1HG ARG 108 1HG ARG 108 -8.632 -6.241 4.348 832 2HG ARG 108 2HG ARG 108 -8.811 -7.772 5.196 833 1HD ARG 108 1HD ARG 108 -10.782 -6.992 5.865 834 2HD ARG 108 2HD ARG 108 -9.912 -6.046 7.052 835 HE ARG 108 HE ARG 108 -9.978 -4.478 4.736 836 1HH1 ARG 108 2HH2 ARG 108 -12.389 -5.905 6.966 837 2HH1 ARG 108 1HH2 ARG 108 -13.497 -4.586 6.793 838 1HH2 ARG 108 2HH1 ARG 108 -11.515 -2.683 4.584 839 2HH2 ARG 108 1HH1 ARG 108 -12.972 -2.766 5.445 840 H ASN 109 H ASN 109 -7.590 -9.766 6.793 841 HA ASN 109 HA ASN 109 -4.669 -10.194 7.097 842 1HB ASN 109 1HB ASN 109 -5.963 -12.646 7.739 843 2HB ASN 109 2HB ASN 109 -4.896 -11.661 8.709 844 1HD2 ASN 109 1HD2 ASN 109 -8.090 -12.928 8.501 845 2HD2 ASN 109 2HD2 ASN 109 -8.836 -11.805 9.614 846 H VAL 110 H VAL 110 -3.714 -11.508 5.627 847 HA VAL 110 HA VAL 110 -5.270 -12.806 3.499 848 HB VAL 110 HB VAL 110 -3.863 -11.594 1.808 849 1HG1 VAL 110 1HG1 VAL 110 -6.202 -10.969 2.162 850 2HG1 VAL 110 2HG1 VAL 110 -5.717 -9.809 3.411 851 3HG1 VAL 110 3HG1 VAL 110 -5.213 -9.557 1.739 852 1HG2 VAL 110 1HG2 VAL 110 -3.242 -9.612 4.054 853 2HG2 VAL 110 2HG2 VAL 110 -2.072 -10.757 3.369 854 3HG2 VAL 110 3HG2 VAL 110 -2.765 -9.490 2.358 855 H LEU 111 H LEU 111 -3.499 -13.824 1.922 856 HA LEU 111 HA LEU 111 -1.049 -14.626 3.435 857 1HB LEU 111 1HB LEU 111 -2.873 -15.809 1.351 858 2HB LEU 111 2HB LEU 111 -1.163 -16.148 1.125 859 HG LEU 111 HG LEU 111 -2.368 -17.919 2.052 860 1HD1 LEU 111 1HD1 LEU 111 0.004 -17.180 2.954 861 2HD1 LEU 111 2HD1 LEU 111 -0.882 -17.068 4.488 862 3HD1 LEU 111 3HD1 LEU 111 -0.837 -18.595 3.599 863 1HD2 LEU 111 1HD2 LEU 111 -3.214 -16.106 4.320 864 2HD2 LEU 111 2HD2 LEU 111 -4.247 -16.784 3.069 865 3HD2 LEU 111 3HD2 LEU 111 -3.488 -17.859 4.267 866 H LEU 112 H LEU 112 0.906 -14.469 2.230 867 HA LEU 112 HA LEU 112 0.937 -12.705 -0.189 868 1HB LEU 112 1HB LEU 112 2.278 -12.221 2.233 869 2HB LEU 112 2HB LEU 112 3.454 -13.137 1.356 870 HG LEU 112 HG LEU 112 2.366 -10.409 0.711 871 1HD1 LEU 112 1HD1 LEU 112 5.158 -11.617 0.651 872 2HD1 LEU 112 2HD1 LEU 112 4.749 -9.889 0.513 873 3HD1 LEU 112 3HD1 LEU 112 4.443 -10.744 2.024 874 1HD2 LEU 112 1HD2 LEU 112 3.829 -12.103 -1.374 875 2HD2 LEU 112 2HD2 LEU 112 2.151 -11.487 -1.515 876 3HD2 LEU 112 3HD2 LEU 112 3.498 -10.375 -1.476 877 H ARG 113 H ARG 113 2.073 -13.481 -1.948 878 HA ARG 113 HA ARG 113 2.586 -16.304 -2.132 879 1HB ARG 113 1HB ARG 113 1.445 -14.565 -3.710 880 2HB ARG 113 2HB ARG 113 3.082 -14.102 -4.154 881 1HG ARG 113 1HG ARG 113 3.281 -15.822 -5.540 882 2HG ARG 113 2HG ARG 113 2.758 -16.999 -4.324 883 1HD ARG 113 1HD ARG 113 0.448 -16.741 -4.898 884 2HD ARG 113 2HD ARG 113 0.722 -15.203 -5.707 885 HE ARG 113 HE ARG 113 1.274 -16.214 -7.614 886 1HH1 ARG 113 2HH2 ARG 113 1.266 -18.807 -5.147 887 2HH1 ARG 113 1HH2 ARG 113 1.502 -20.059 -6.350 888 1HH2 ARG 113 2HH1 ARG 113 1.673 -17.846 -9.078 889 2HH2 ARG 113 1HH1 ARG 113 2.014 -19.474 -8.615 890 H LYS 114 H LYS 114 4.334 -15.283 -0.256 891 HA LYS 114 HA LYS 114 6.581 -15.145 0.350 892 1HB LYS 114 1HB LYS 114 6.718 -17.197 -1.889 893 2HB LYS 114 2HB LYS 114 7.965 -16.976 -0.662 894 1HG LYS 114 1HG LYS 114 5.347 -17.393 0.585 895 2HG LYS 114 2HG LYS 114 5.654 -18.611 -0.625 896 1HD LYS 114 1HD LYS 114 6.426 -19.443 1.496 897 2HD LYS 114 2HD LYS 114 7.796 -19.185 0.413 898 1HE LYS 114 1HE LYS 114 8.196 -16.957 1.582 899 2HE LYS 114 2HE LYS 114 6.924 -17.409 2.737 900 1HZ LYS 114 1HZ LYS 114 8.260 -19.404 3.230 901 2HZ LYS 114 2HZ LYS 114 9.466 -18.807 2.247 902 3HZ LYS 114 3HZ LYS 114 9.026 -18.015 3.626 903 H ASN 115 H ASN 115 8.981 -15.427 -1.298 904 HA ASN 115 HA ASN 115 8.744 -13.099 -3.128 905 1HB ASN 115 1HB ASN 115 10.907 -13.576 -1.039 906 2HB ASN 115 2HB ASN 115 11.129 -12.545 -2.455 907 1HD2 ASN 115 1HD2 ASN 115 11.120 -11.837 0.430 908 2HD2 ASN 115 2HD2 ASN 115 9.850 -10.624 0.587 909 H GLY 116 H GLY 116 11.598 -14.943 -2.329 910 1HA GLY 116 1HA GLY 116 10.836 -17.131 -4.157 911 2HA GLY 116 2HA GLY 116 12.543 -16.720 -3.818 Start of MODEL 8 1 1H GLY 1 H GLY 1 2.994 -23.646 -0.848 2 1HA GLY 1 1HA GLY 1 0.556 -22.663 0.504 3 2HA GLY 1 2HA GLY 1 1.928 -23.463 1.306 4 H HIS 2 H HIS 2 0.588 -20.498 0.222 5 HA HIS 2 HA HIS 2 2.949 -18.834 0.295 6 1HB HIS 2 1HB HIS 2 -0.025 -18.315 0.613 7 2HB HIS 2 2HB HIS 2 1.174 -17.040 0.576 8 HD1 HIS 2 1HD HIS 2 2.007 -19.677 -2.070 9 HD2 HIS 2 2HD HIS 2 -0.434 -16.269 -1.535 10 HE1 HIS 2 1HE HIS 2 1.321 -18.932 -4.357 11 H VAL 3 H VAL 3 2.990 -16.992 2.018 12 HA VAL 3 HA VAL 3 2.945 -18.052 4.796 13 HB VAL 3 HB VAL 3 4.082 -15.680 3.312 14 1HG1 VAL 3 1HG1 VAL 3 5.082 -14.800 5.399 15 2HG1 VAL 3 2HG1 VAL 3 3.349 -14.561 5.228 16 3HG1 VAL 3 3HG1 VAL 3 3.975 -15.836 6.311 17 1HG2 VAL 3 1HG2 VAL 3 6.167 -16.556 3.635 18 2HG2 VAL 3 2HG2 VAL 3 5.727 -17.354 5.168 19 3HG2 VAL 3 3HG2 VAL 3 5.231 -18.056 3.628 20 H GLN 4 H GLN 4 1.670 -16.584 6.414 21 HA GLN 4 HA GLN 4 -0.593 -15.240 5.166 22 1HB GLN 4 1HB GLN 4 -0.820 -17.467 6.545 23 2HB GLN 4 2HB GLN 4 -0.503 -16.422 7.953 24 1HG GLN 4 1HG GLN 4 -2.295 -14.906 7.091 25 2HG GLN 4 2HG GLN 4 -2.575 -16.073 5.779 26 1HE2 GLN 4 1HE2 GLN 4 -3.773 -15.109 8.859 27 2HE2 GLN 4 2HE2 GLN 4 -4.489 -16.616 9.315 28 H LEU 5 H LEU 5 -0.997 -13.114 5.819 29 HA LEU 5 HA LEU 5 0.449 -12.087 8.117 30 1HB LEU 5 1HB LEU 5 0.736 -10.918 5.320 31 2HB LEU 5 2HB LEU 5 1.147 -10.024 6.780 32 HG LEU 5 HG LEU 5 2.478 -12.649 5.997 33 1HD1 LEU 5 1HD1 LEU 5 2.982 -10.964 4.327 34 2HD1 LEU 5 2HD1 LEU 5 3.439 -9.805 5.590 35 3HD1 LEU 5 3HD1 LEU 5 4.411 -11.272 5.324 36 1HD2 LEU 5 1HD2 LEU 5 3.294 -10.518 8.008 37 2HD2 LEU 5 2HD2 LEU 5 2.661 -12.126 8.432 38 3HD2 LEU 5 3HD2 LEU 5 4.225 -11.967 7.614 39 H SER 6 H SER 6 -0.516 -9.993 8.917 40 HA SER 6 HA SER 6 -3.073 -9.274 7.720 41 1HB SER 6 1HB SER 6 -2.627 -9.517 10.695 42 2HB SER 6 2HB SER 6 -4.122 -9.442 9.786 43 HG SER 6 HG SER 6 -2.314 -11.549 10.177 44 H LEU 7 H LEU 7 -3.774 -7.085 8.470 45 HA LEU 7 HA LEU 7 -1.626 -5.280 9.407 46 1HB LEU 7 1HB LEU 7 -3.115 -5.135 6.734 47 2HB LEU 7 2HB LEU 7 -2.209 -3.794 7.387 48 HG LEU 7 HG LEU 7 -1.007 -6.486 6.628 49 1HD1 LEU 7 1HD1 LEU 7 -0.120 -5.267 4.683 50 2HD1 LEU 7 2HD1 LEU 7 -1.886 -5.247 4.698 51 3HD1 LEU 7 3HD1 LEU 7 -0.982 -3.804 5.200 52 1HD2 LEU 7 1HD2 LEU 7 1.166 -5.468 6.829 53 2HD2 LEU 7 2HD2 LEU 7 0.452 -3.897 7.234 54 3HD2 LEU 7 3HD2 LEU 7 0.335 -5.259 8.371 55 HA PRO 8 HA PRO 8 -5.403 -3.133 10.791 56 1HB PRO 8 1HB PRO 8 -4.560 -0.571 10.989 57 2HB PRO 8 2HB PRO 8 -3.988 -1.807 12.121 58 1HG PRO 8 1HG PRO 8 -2.620 -0.799 9.633 59 2HG PRO 8 2HG PRO 8 -1.901 -0.984 11.252 60 1HD PRO 8 1HD PRO 8 -1.586 -2.899 9.346 61 2HD PRO 8 2HD PRO 8 -1.806 -3.325 11.058 62 H VAL 9 H VAL 9 -6.777 -1.253 9.931 63 HA VAL 9 HA VAL 9 -6.399 -0.623 7.047 64 HB VAL 9 HB VAL 9 -9.042 -0.965 8.526 65 1HG1 VAL 9 1HG1 VAL 9 -10.036 -0.998 6.315 66 2HG1 VAL 9 2HG1 VAL 9 -9.106 0.492 6.504 67 3HG1 VAL 9 3HG1 VAL 9 -8.444 -0.843 5.537 68 1HG2 VAL 9 1HG2 VAL 9 -9.376 -3.071 7.261 69 2HG2 VAL 9 2HG2 VAL 9 -7.685 -2.989 6.703 70 3HG2 VAL 9 3HG2 VAL 9 -8.050 -3.196 8.422 71 H LEU 10 H LEU 10 -6.730 1.746 6.575 72 HA LEU 10 HA LEU 10 -7.191 3.368 9.038 73 1HB LEU 10 1HB LEU 10 -4.975 3.527 6.947 74 2HB LEU 10 2HB LEU 10 -5.260 4.716 8.223 75 HG LEU 10 HG LEU 10 -4.629 1.826 8.924 76 1HD1 LEU 10 1HD1 LEU 10 -2.848 2.495 7.435 77 2HD1 LEU 10 2HD1 LEU 10 -2.585 3.992 8.366 78 3HD1 LEU 10 3HD1 LEU 10 -2.260 2.411 9.106 79 1HD2 LEU 10 1HD2 LEU 10 -3.828 2.771 11.009 80 2HD2 LEU 10 2HD2 LEU 10 -4.051 4.430 10.382 81 3HD2 LEU 10 3HD2 LEU 10 -5.449 3.400 10.668 82 H GLN 11 H GLN 11 -8.850 4.863 8.440 83 HA GLN 11 HA GLN 11 -9.964 4.631 5.781 84 1HB GLN 11 1HB GLN 11 -10.433 6.685 8.006 85 2HB GLN 11 2HB GLN 11 -11.072 6.842 6.353 86 1HG GLN 11 1HG GLN 11 -11.899 4.411 6.892 87 2HG GLN 11 2HG GLN 11 -11.872 5.045 8.557 88 1HE2 GLN 11 1HE2 GLN 11 -14.024 4.202 7.287 89 2HE2 GLN 11 2HE2 GLN 11 -15.195 5.493 6.860 90 H VAL 12 H VAL 12 -9.892 6.207 4.047 91 HA VAL 12 HA VAL 12 -7.334 7.029 3.376 92 HB VAL 12 HB VAL 12 -9.117 6.553 1.830 93 1HG1 VAL 12 1HG1 VAL 12 -10.889 8.187 1.297 94 2HG1 VAL 12 2HG1 VAL 12 -11.079 7.534 2.934 95 3HG1 VAL 12 3HG1 VAL 12 -10.427 9.169 2.685 96 1HG2 VAL 12 1HG2 VAL 12 -8.179 9.414 1.419 97 2HG2 VAL 12 2HG2 VAL 12 -7.155 7.985 1.243 98 3HG2 VAL 12 3HG2 VAL 12 -8.554 8.184 0.181 99 H ARG 13 H ARG 13 -9.782 8.570 5.363 100 HA ARG 13 HA ARG 13 -8.904 11.270 5.014 101 1HB ARG 13 1HB ARG 13 -10.265 11.708 7.138 102 2HB ARG 13 2HB ARG 13 -11.132 11.101 5.724 103 1HG ARG 13 1HG ARG 13 -11.289 8.918 6.600 104 2HG ARG 13 2HG ARG 13 -10.220 9.234 7.962 105 1HD ARG 13 1HD ARG 13 -12.692 10.891 7.596 106 2HD ARG 13 2HD ARG 13 -12.868 9.229 8.184 107 HE ARG 13 HE ARG 13 -10.911 10.291 9.804 108 1HH1 ARG 13 2HH2 ARG 13 -14.319 10.963 8.958 109 2HH1 ARG 13 1HH2 ARG 13 -14.725 11.676 10.485 110 1HH2 ARG 13 2HH1 ARG 13 -11.478 11.211 11.860 111 2HH2 ARG 13 1HH1 ARG 13 -13.089 11.784 12.206 112 H ASP 14 H ASP 14 -8.147 8.646 7.178 113 HA ASP 14 HA ASP 14 -6.725 10.299 9.116 114 1HB ASP 14 1HB ASP 14 -7.755 7.447 8.936 115 2HB ASP 14 2HB ASP 14 -6.554 7.865 10.123 116 H VAL 15 H VAL 15 -6.188 8.101 6.486 117 HA VAL 15 HA VAL 15 -3.377 7.885 6.799 118 HB VAL 15 HB VAL 15 -4.496 7.660 4.031 119 1HG1 VAL 15 1HG1 VAL 15 -2.576 6.042 5.749 120 2HG1 VAL 15 2HG1 VAL 15 -2.676 6.091 3.955 121 3HG1 VAL 15 3HG1 VAL 15 -2.074 7.479 4.844 122 1HG2 VAL 15 1HG2 VAL 15 -4.779 5.129 4.637 123 2HG2 VAL 15 2HG2 VAL 15 -5.100 5.753 6.277 124 3HG2 VAL 15 3HG2 VAL 15 -6.103 6.225 4.894 125 H LEU 16 H LEU 16 -3.141 10.056 7.572 126 HA LEU 16 HA LEU 16 -3.000 12.408 6.116 127 1HB LEU 16 1HB LEU 16 -0.813 11.169 7.822 128 2HB LEU 16 2HB LEU 16 -0.934 12.860 7.363 129 HG LEU 16 HG LEU 16 -2.856 11.332 9.182 130 1HD1 LEU 16 1HD1 LEU 16 -1.969 12.862 10.901 131 2HD1 LEU 16 2HD1 LEU 16 -0.693 11.869 10.186 132 3HD1 LEU 16 3HD1 LEU 16 -0.862 13.559 9.675 133 1HD2 LEU 16 1HD2 LEU 16 -4.165 13.009 7.973 134 2HD2 LEU 16 2HD2 LEU 16 -3.901 13.557 9.622 135 3HD2 LEU 16 3HD2 LEU 16 -2.937 14.256 8.304 136 H VAL 17 H VAL 17 -0.682 9.595 5.738 137 HA VAL 17 HA VAL 17 0.224 10.904 3.230 138 HB VAL 17 HB VAL 17 1.906 9.249 5.126 139 1HG1 VAL 17 1HG1 VAL 17 2.575 10.861 2.609 140 2HG1 VAL 17 2HG1 VAL 17 3.764 10.138 3.711 141 3HG1 VAL 17 3HG1 VAL 17 2.675 9.090 2.812 142 1HG2 VAL 17 1HG2 VAL 17 3.060 11.439 5.531 143 2HG2 VAL 17 2HG2 VAL 17 1.735 12.269 4.699 144 3HG2 VAL 17 3HG2 VAL 17 1.446 11.359 6.217 145 H ARG 18 H ARG 18 -0.619 9.834 1.542 146 HA ARG 18 HA ARG 18 -1.076 6.915 1.791 147 1HB ARG 18 1HB ARG 18 -2.567 8.313 -0.289 148 2HB ARG 18 2HB ARG 18 -2.988 6.962 0.773 149 1HG ARG 18 1HG ARG 18 -4.338 8.570 1.701 150 2HG ARG 18 2HG ARG 18 -2.895 8.874 2.644 151 1HD ARG 18 1HD ARG 18 -2.250 10.413 0.588 152 2HD ARG 18 2HD ARG 18 -3.915 10.219 0.155 153 HE ARG 18 HE ARG 18 -4.036 11.023 2.793 154 1HH1 ARG 18 2HH2 ARG 18 -2.485 12.528 -0.084 155 2HH1 ARG 18 1HH2 ARG 18 -2.565 14.109 0.573 156 1HH2 ARG 18 2HH1 ARG 18 -4.379 13.167 3.460 157 2HH2 ARG 18 1HH1 ARG 18 -3.454 14.447 2.711 158 H GLY 19 H GLY 19 1.482 8.221 0.904 159 1HA GLY 19 1HA GLY 19 1.830 6.729 -1.601 160 2HA GLY 19 2HA GLY 19 2.469 8.395 -1.454 161 H PHE 20 H PHE 20 3.026 5.097 -0.679 162 HA PHE 20 HA PHE 20 5.003 5.431 1.374 163 1HB PHE 20 1HB PHE 20 4.669 3.533 -0.970 164 2HB PHE 20 2HB PHE 20 6.057 3.511 0.087 165 HD1 PHE 20 1HD PHE 20 2.988 1.991 -0.440 166 HD2 PHE 20 2HD PHE 20 5.537 3.466 2.712 167 HE1 PHE 20 1HE PHE 20 2.012 0.356 1.113 168 HE2 PHE 20 2HE PHE 20 4.472 1.881 4.288 169 HZ PHE 20 HZ PHE 20 2.729 0.302 3.492 170 H GLY 21 H GLY 21 4.982 6.147 -2.111 171 1HA GLY 21 1HA GLY 21 7.403 7.676 -1.980 172 2HA GLY 21 2HA GLY 21 7.544 6.217 -2.967 173 H ASP 22 H ASP 22 7.871 8.375 -4.324 174 HA ASP 22 HA ASP 22 5.420 9.514 -5.243 175 1HB ASP 22 1HB ASP 22 7.554 10.741 -4.866 176 2HB ASP 22 2HB ASP 22 8.279 9.905 -6.233 177 H SER 23 H SER 23 7.456 7.003 -6.513 178 HA SER 23 HA SER 23 5.939 6.968 -9.096 179 1HB SER 23 1HB SER 23 8.860 6.456 -8.506 180 2HB SER 23 2HB SER 23 8.077 5.553 -9.797 181 HG SER 23 HG SER 23 8.535 8.295 -9.543 182 H VAL 24 H VAL 24 5.784 4.770 -10.037 183 HA VAL 24 HA VAL 24 4.458 3.090 -8.183 184 HB VAL 24 HB VAL 24 5.439 2.054 -10.884 185 1HG1 VAL 24 1HG1 VAL 24 2.973 1.557 -9.226 186 2HG1 VAL 24 2HG1 VAL 24 3.329 0.833 -10.809 187 3HG1 VAL 24 3HG1 VAL 24 4.358 0.437 -9.431 188 1HG2 VAL 24 1HG2 VAL 24 3.341 2.991 -11.769 189 2HG2 VAL 24 2HG2 VAL 24 3.161 3.892 -10.227 190 3HG2 VAL 24 3HG2 VAL 24 4.540 4.204 -11.332 191 H GLU 25 H GLU 25 7.711 2.663 -9.738 192 HA GLU 25 HA GLU 25 8.085 0.279 -8.361 193 1HB GLU 25 1HB GLU 25 10.089 2.235 -9.554 194 2HB GLU 25 2HB GLU 25 10.621 0.770 -8.715 195 1HG GLU 25 1HG GLU 25 9.090 -0.545 -10.295 196 2HG GLU 25 2HG GLU 25 8.995 0.933 -11.258 197 H GLU 26 H GLU 26 8.707 3.588 -7.367 198 HA GLU 26 HA GLU 26 10.339 3.193 -5.073 199 1HB GLU 26 1HB GLU 26 8.295 5.379 -5.675 200 2HB GLU 26 2HB GLU 26 9.367 5.373 -4.296 201 1HG GLU 26 1HG GLU 26 10.346 5.296 -7.175 202 2HG GLU 26 2HG GLU 26 10.167 6.743 -6.195 203 H ALA 27 H ALA 27 6.822 3.765 -5.356 204 HA ALA 27 HA ALA 27 6.284 3.349 -2.613 205 1HB ALA 27 1HB ALA 27 4.848 4.574 -4.280 206 2HB ALA 27 2HB ALA 27 4.359 2.987 -4.939 207 3HB ALA 27 3HB ALA 27 3.962 3.429 -3.266 208 H LEU 28 H LEU 28 6.113 1.046 -5.427 209 HA LEU 28 HA LEU 28 5.152 -1.167 -3.957 210 1HB LEU 28 1HB LEU 28 5.872 -0.682 -6.563 211 2HB LEU 28 2HB LEU 28 7.181 -1.722 -6.081 212 HG LEU 28 HG LEU 28 4.201 -2.308 -5.887 213 1HD1 LEU 28 1HD1 LEU 28 6.323 -3.335 -7.816 214 2HD1 LEU 28 2HD1 LEU 28 4.662 -3.932 -7.728 215 3HD1 LEU 28 3HD1 LEU 28 4.986 -2.239 -8.212 216 1HD2 LEU 28 1HD2 LEU 28 6.602 -4.064 -5.311 217 2HD2 LEU 28 2HD2 LEU 28 5.302 -3.595 -4.182 218 3HD2 LEU 28 3HD2 LEU 28 4.950 -4.692 -5.532 219 H SER 29 H SER 29 8.461 0.148 -4.195 220 HA SER 29 HA SER 29 9.753 -2.188 -3.072 221 1HB SER 29 1HB SER 29 10.859 -0.370 -4.522 222 2HB SER 29 2HB SER 29 10.783 0.698 -3.099 223 HG SER 29 HG SER 29 12.182 -0.565 -2.030 224 H GLU 30 H GLU 30 9.001 1.070 -1.907 225 HA GLU 30 HA GLU 30 9.771 0.915 0.782 226 1HB GLU 30 1HB GLU 30 7.528 2.260 -0.767 227 2HB GLU 30 2HB GLU 30 7.816 2.580 0.939 228 1HG GLU 30 1HG GLU 30 9.941 3.020 -1.178 229 2HG GLU 30 2HG GLU 30 8.676 4.190 -0.789 230 H ALA 31 H ALA 31 6.655 0.140 -0.807 231 HA ALA 31 HA ALA 31 5.140 -0.540 1.430 232 1HB ALA 31 1HB ALA 31 4.222 -0.188 -0.748 233 2HB ALA 31 2HB ALA 31 5.145 -1.530 -1.446 234 3HB ALA 31 3HB ALA 31 3.842 -1.860 -0.289 235 H ARG 32 H ARG 32 7.200 -2.648 -0.623 236 HA ARG 32 HA ARG 32 6.844 -5.088 0.850 237 1HB ARG 32 1HB ARG 32 7.983 -4.612 -1.484 238 2HB ARG 32 2HB ARG 32 9.421 -4.179 -0.548 239 1HG ARG 32 1HG ARG 32 9.345 -6.477 0.492 240 2HG ARG 32 2HG ARG 32 7.992 -6.841 -0.597 241 1HD ARG 32 1HD ARG 32 9.675 -5.996 -2.473 242 2HD ARG 32 2HD ARG 32 10.912 -6.341 -1.252 243 HE ARG 32 HE ARG 32 9.045 -8.500 -1.473 244 1HH1 ARG 32 2HH2 ARG 32 11.776 -7.199 -3.372 245 2HH1 ARG 32 1HH2 ARG 32 11.613 -8.471 -4.564 246 1HH2 ARG 32 2HH1 ARG 32 9.324 -10.321 -2.586 247 2HH2 ARG 32 1HH1 ARG 32 10.542 -10.487 -3.839 248 H GLU 33 H GLU 33 9.176 -2.357 1.328 249 HA GLU 33 HA GLU 33 10.419 -3.722 3.472 250 1HB GLU 33 1HB GLU 33 10.403 -0.974 2.235 251 2HB GLU 33 2HB GLU 33 10.952 -1.032 3.891 252 1HG GLU 33 1HG GLU 33 11.977 -2.955 1.779 253 2HG GLU 33 2HG GLU 33 12.689 -1.360 2.021 254 H HIS 34 H HIS 34 7.696 -1.406 3.378 255 HA HIS 34 HA HIS 34 7.671 -1.056 6.238 256 1HB HIS 34 1HB HIS 34 5.789 -0.315 3.986 257 2HB HIS 34 2HB HIS 34 5.356 -0.066 5.669 258 HD1 HIS 34 1HD HIS 34 8.382 0.889 3.418 259 HD2 HIS 34 2HD HIS 34 5.955 2.373 6.539 260 HE1 HIS 34 1HE HIS 34 9.313 3.187 4.034 261 H LEU 35 H LEU 35 6.144 -3.290 3.979 262 HA LEU 35 HA LEU 35 4.425 -4.659 5.831 263 1HB LEU 35 1HB LEU 35 5.956 -5.519 3.327 264 2HB LEU 35 2HB LEU 35 4.984 -6.652 4.220 265 HG LEU 35 HG LEU 35 3.942 -4.151 2.903 266 1HD1 LEU 35 1HD1 LEU 35 4.700 -5.871 1.315 267 2HD1 LEU 35 2HD1 LEU 35 3.648 -7.063 2.088 268 3HD1 LEU 35 3HD1 LEU 35 2.942 -5.652 1.255 269 1HD2 LEU 35 1HD2 LEU 35 2.553 -4.615 4.768 270 2HD2 LEU 35 2HD2 LEU 35 1.714 -5.113 3.295 271 3HD2 LEU 35 3HD2 LEU 35 2.463 -6.346 4.353 272 H LYS 36 H LYS 36 7.949 -5.149 4.976 273 HA LYS 36 HA LYS 36 8.178 -7.482 6.538 274 1HB LYS 36 1HB LYS 36 9.613 -6.530 4.532 275 2HB LYS 36 2HB LYS 36 10.375 -5.538 5.762 276 1HG LYS 36 1HG LYS 36 11.802 -7.358 5.734 277 2HG LYS 36 2HG LYS 36 10.688 -7.672 7.072 278 1HD LYS 36 1HD LYS 36 10.864 -9.752 5.845 279 2HD LYS 36 2HD LYS 36 9.282 -9.020 5.528 280 1HE LYS 36 1HE LYS 36 10.174 -9.916 3.450 281 2HE LYS 36 2HE LYS 36 10.058 -8.159 3.358 282 1HZ LYS 36 1HZ LYS 36 12.409 -8.009 3.769 283 2HZ LYS 36 2HZ LYS 36 12.576 -9.645 3.870 284 3HZ LYS 36 3HZ LYS 36 12.123 -8.920 2.467 285 H ASN 37 H ASN 37 8.954 -4.077 7.028 286 HA ASN 37 HA ASN 37 10.016 -4.296 9.630 287 1HB ASN 37 1HB ASN 37 8.880 -1.995 8.010 288 2HB ASN 37 2HB ASN 37 9.397 -1.787 9.676 289 1HD2 ASN 37 1HD2 ASN 37 10.644 -2.366 6.354 290 2HD2 ASN 37 2HD2 ASN 37 12.251 -1.883 6.843 291 H GLY 38 H GLY 38 6.636 -3.786 8.544 292 1HA GLY 38 1HA GLY 38 4.854 -4.725 9.899 293 2HA GLY 38 2HA GLY 38 5.698 -4.165 11.350 294 H THR 39 H THR 39 6.060 -1.811 9.022 295 HA THR 39 HA THR 39 4.055 -0.090 10.375 296 HB THR 39 HB THR 39 6.229 0.666 10.791 297 HG1 THR 39 1HG THR 39 4.740 2.301 10.171 298 1HG2 THR 39 1HG2 THR 39 7.700 1.380 8.762 299 2HG2 THR 39 2HG2 THR 39 7.637 -0.333 9.213 300 3HG2 THR 39 3HG2 THR 39 6.688 0.269 7.838 301 H CYS 40 H CYS 40 2.911 -1.725 8.713 302 HA CYS 40 HA CYS 40 2.127 0.139 6.542 303 1HB CYS 40 1HB CYS 40 3.430 -1.482 5.443 304 2HB CYS 40 2HB CYS 40 2.633 -2.839 6.283 305 HG CYS 40 HG CYS 40 0.890 -0.588 4.549 306 H GLY 41 H GLY 41 -0.029 0.228 6.179 307 1HA GLY 41 1HA GLY 41 -1.835 -1.515 7.627 308 2HA GLY 41 2HA GLY 41 -2.102 0.237 7.739 309 H LEU 42 H LEU 42 -4.129 -0.843 6.621 310 HA LEU 42 HA LEU 42 -3.866 -0.687 3.675 311 1HB LEU 42 1HB LEU 42 -4.575 -2.906 4.874 312 2HB LEU 42 2HB LEU 42 -6.030 -2.049 5.331 313 HG LEU 42 HG LEU 42 -6.450 -1.713 2.781 314 1HD1 LEU 42 1HD1 LEU 42 -4.075 -2.220 2.110 315 2HD1 LEU 42 2HD1 LEU 42 -4.320 -3.871 2.643 316 3HD1 LEU 42 3HD1 LEU 42 -5.270 -3.202 1.282 317 1HD2 LEU 42 1HD2 LEU 42 -6.487 -4.490 3.980 318 2HD2 LEU 42 2HD2 LEU 42 -7.750 -3.244 4.040 319 3HD2 LEU 42 3HD2 LEU 42 -7.324 -3.995 2.500 320 H VAL 43 H VAL 43 -6.151 -0.016 2.746 321 HA VAL 43 HA VAL 43 -7.801 1.672 4.459 322 HB VAL 43 HB VAL 43 -5.980 3.176 3.264 323 1HG1 VAL 43 1HG1 VAL 43 -5.510 2.106 1.668 324 2HG1 VAL 43 2HG1 VAL 43 -7.086 2.306 0.801 325 3HG1 VAL 43 3HG1 VAL 43 -6.061 3.741 1.219 326 1HG2 VAL 43 1HG2 VAL 43 -7.643 4.830 2.483 327 2HG2 VAL 43 2HG2 VAL 43 -8.725 3.523 1.924 328 3HG2 VAL 43 3HG2 VAL 43 -8.612 3.915 3.653 329 H GLU 44 H GLU 44 -10.011 1.779 3.432 330 HA GLU 44 HA GLU 44 -10.399 -0.405 1.462 331 1HB GLU 44 1HB GLU 44 -12.454 1.202 3.005 332 2HB GLU 44 2HB GLU 44 -12.736 -0.232 2.026 333 1HG GLU 44 1HG GLU 44 -11.603 -1.671 3.530 334 2HG GLU 44 2HG GLU 44 -10.796 -0.353 4.359 335 H LEU 45 H LEU 45 -10.927 -0.016 -0.576 336 HA LEU 45 HA LEU 45 -10.668 2.626 -1.702 337 1HB LEU 45 1HB LEU 45 -11.161 -0.147 -2.792 338 2HB LEU 45 2HB LEU 45 -11.271 1.244 -3.851 339 HG LEU 45 HG LEU 45 -8.830 0.929 -2.077 340 1HD1 LEU 45 1HD1 LEU 45 -7.694 -0.289 -3.876 341 2HD1 LEU 45 2HD1 LEU 45 -9.055 -1.210 -3.212 342 3HD1 LEU 45 3HD1 LEU 45 -9.225 -0.393 -4.783 343 1HD2 LEU 45 1HD2 LEU 45 -9.022 2.060 -4.891 344 2HD2 LEU 45 2HD2 LEU 45 -9.365 3.058 -3.449 345 3HD2 LEU 45 3HD2 LEU 45 -7.784 2.338 -3.670 346 H GLU 46 H GLU 46 -12.214 4.013 -1.319 347 HA GLU 46 HA GLU 46 -15.009 3.404 -2.007 348 1HB GLU 46 1HB GLU 46 -14.128 6.054 -0.954 349 2HB GLU 46 2HB GLU 46 -15.686 5.274 -0.836 350 1HG GLU 46 1HG GLU 46 -13.169 4.430 0.687 351 2HG GLU 46 2HG GLU 46 -14.449 5.435 1.270 352 H LYS 47 H LYS 47 -16.058 5.509 -3.142 353 HA LYS 47 HA LYS 47 -14.906 5.800 -5.761 354 1HB LYS 47 1HB LYS 47 -17.254 6.003 -5.378 355 2HB LYS 47 2HB LYS 47 -17.056 7.349 -4.257 356 1HG LYS 47 1HG LYS 47 -16.265 8.799 -6.068 357 2HG LYS 47 2HG LYS 47 -16.351 7.448 -7.211 358 1HD LYS 47 1HD LYS 47 -18.744 8.604 -5.700 359 2HD LYS 47 2HD LYS 47 -18.295 9.009 -7.362 360 1HE LYS 47 1HE LYS 47 -18.419 6.515 -7.898 361 2HE LYS 47 2HE LYS 47 -19.136 6.278 -6.292 362 1HZ LYS 47 1HZ LYS 47 -20.262 7.914 -8.470 363 2HZ LYS 47 2HZ LYS 47 -20.787 6.440 -7.988 364 3HZ LYS 47 3HZ LYS 47 -20.955 7.724 -6.977 365 H GLY 48 H GLY 48 -15.063 8.024 -2.952 366 1HA GLY 48 1HA GLY 48 -12.932 9.741 -4.079 367 2HA GLY 48 2HA GLY 48 -13.828 9.987 -2.577 368 H VAL 49 H VAL 49 -11.660 7.406 -3.976 369 HA VAL 49 HA VAL 49 -9.902 8.014 -1.655 370 HB VAL 49 HB VAL 49 -10.452 5.292 -2.885 371 1HG1 VAL 49 1HG1 VAL 49 -8.747 4.345 -1.348 372 2HG1 VAL 49 2HG1 VAL 49 -8.002 5.407 -2.553 373 3HG1 VAL 49 3HG1 VAL 49 -8.257 5.980 -0.888 374 1HG2 VAL 49 1HG2 VAL 49 -10.580 6.399 -0.041 375 2HG2 VAL 49 2HG2 VAL 49 -11.963 6.010 -1.064 376 3HG2 VAL 49 3HG2 VAL 49 -10.889 4.727 -0.463 377 H LEU 50 H LEU 50 -9.716 6.507 -4.916 378 HA LEU 50 HA LEU 50 -6.987 6.976 -5.367 379 1HB LEU 50 1HB LEU 50 -9.475 6.796 -7.087 380 2HB LEU 50 2HB LEU 50 -7.910 7.127 -7.812 381 HG LEU 50 HG LEU 50 -9.090 4.623 -6.964 382 1HD1 LEU 50 1HD1 LEU 50 -7.420 3.654 -8.494 383 2HD1 LEU 50 2HD1 LEU 50 -8.298 5.003 -9.211 384 3HD1 LEU 50 3HD1 LEU 50 -6.641 5.242 -8.640 385 1HD2 LEU 50 1HD2 LEU 50 -6.216 4.887 -6.067 386 2HD2 LEU 50 2HD2 LEU 50 -7.629 4.791 -4.981 387 3HD2 LEU 50 3HD2 LEU 50 -7.274 3.453 -6.043 388 HA PRO 51 HA PRO 51 -7.713 11.257 -7.075 389 1HB PRO 51 1HB PRO 51 -10.025 12.602 -7.186 390 2HB PRO 51 2HB PRO 51 -9.704 11.244 -8.279 391 1HG PRO 51 1HG PRO 51 -11.254 11.164 -5.668 392 2HG PRO 51 2HG PRO 51 -11.768 10.551 -7.278 393 1HD PRO 51 1HD PRO 51 -10.594 8.984 -5.363 394 2HD PRO 51 2HD PRO 51 -10.373 8.673 -7.098 395 H GLN 52 H GLN 52 -7.883 10.276 -4.095 396 HA GLN 52 HA GLN 52 -7.372 12.938 -2.930 397 1HB GLN 52 1HB GLN 52 -8.472 10.571 -1.366 398 2HB GLN 52 2HB GLN 52 -8.109 12.182 -0.760 399 1HG GLN 52 1HG GLN 52 -9.934 13.060 -2.300 400 2HG GLN 52 2HG GLN 52 -10.397 11.381 -2.594 401 1HE2 GLN 52 1HE2 GLN 52 -10.082 10.263 -0.024 402 2HE2 GLN 52 2HE2 GLN 52 -11.273 10.955 1.047 403 H LEU 53 H LEU 53 -5.917 10.240 -4.184 404 HA LEU 53 HA LEU 53 -3.973 9.815 -1.949 405 1HB LEU 53 1HB LEU 53 -4.875 8.155 -4.289 406 2HB LEU 53 2HB LEU 53 -3.386 7.820 -3.429 407 HG LEU 53 HG LEU 53 -5.992 6.857 -2.915 408 1HD1 LEU 53 1HD1 LEU 53 -4.809 5.665 -1.018 409 2HD1 LEU 53 2HD1 LEU 53 -4.034 5.523 -2.619 410 3HD1 LEU 53 3HD1 LEU 53 -3.377 6.639 -1.412 411 1HD2 LEU 53 1HD2 LEU 53 -6.502 8.759 -1.405 412 2HD2 LEU 53 2HD2 LEU 53 -6.324 7.224 -0.559 413 3HD2 LEU 53 3HD2 LEU 53 -5.025 8.427 -0.503 414 H GLU 54 H GLU 54 -1.745 9.114 -3.182 415 HA GLU 54 HA GLU 54 -0.748 11.577 -4.460 416 1HB GLU 54 1HB GLU 54 0.455 8.948 -3.545 417 2HB GLU 54 2HB GLU 54 1.359 10.050 -4.569 418 1HG GLU 54 1HG GLU 54 0.152 11.470 -2.287 419 2HG GLU 54 2HG GLU 54 1.119 10.120 -1.751 420 H GLN 55 H GLN 55 0.001 8.370 -5.586 421 HA GLN 55 HA GLN 55 -1.387 8.549 -8.082 422 1HB GLN 55 1HB GLN 55 1.325 9.736 -7.812 423 2HB GLN 55 2HB GLN 55 1.116 8.512 -9.130 424 1HG GLN 55 1HG GLN 55 -1.095 10.253 -9.392 425 2HG GLN 55 2HG GLN 55 0.217 11.314 -8.908 426 1HE2 GLN 55 1HE2 GLN 55 -0.390 8.606 -11.142 427 2HE2 GLN 55 2HE2 GLN 55 0.482 9.248 -12.527 428 HA PRO 56 HA PRO 56 1.137 4.643 -8.035 429 1HB PRO 56 1HB PRO 56 3.262 4.080 -6.502 430 2HB PRO 56 2HB PRO 56 3.351 5.014 -8.030 431 1HG PRO 56 1HG PRO 56 3.336 6.102 -5.227 432 2HG PRO 56 2HG PRO 56 4.381 6.538 -6.571 433 1HD PRO 56 1HD PRO 56 2.170 8.021 -6.001 434 2HD PRO 56 2HD PRO 56 2.754 7.783 -7.675 435 H TYR 57 H TYR 57 -0.831 4.314 -7.236 436 HA TYR 57 HA TYR 57 -1.468 3.889 -4.443 437 1HB TYR 57 1HB TYR 57 -2.961 2.767 -6.814 438 2HB TYR 57 2HB TYR 57 -3.590 3.153 -5.207 439 HD1 TYR 57 1HD TYR 57 -2.705 5.865 -4.694 440 HD2 TYR 57 2HD TYR 57 -3.946 4.094 -8.423 441 HE1 TYR 57 1HE TYR 57 -3.192 8.144 -5.680 442 HE2 TYR 57 2HE TYR 57 -4.539 6.331 -9.313 443 HH TYR 57 HH TYR 57 -4.345 8.697 -8.935 444 H VAL 58 H VAL 58 -0.228 2.323 -3.404 445 HA VAL 58 HA VAL 58 0.477 -0.126 -4.771 446 HB VAL 58 HB VAL 58 0.808 0.491 -1.823 447 1HG1 VAL 58 1HG1 VAL 58 2.356 -1.403 -3.664 448 2HG1 VAL 58 2HG1 VAL 58 2.460 -1.253 -1.899 449 3HG1 VAL 58 3HG1 VAL 58 1.021 -1.932 -2.627 450 1HG2 VAL 58 1HG2 VAL 58 3.160 1.078 -2.503 451 2HG2 VAL 58 2HG2 VAL 58 2.633 1.078 -4.192 452 3HG2 VAL 58 3HG2 VAL 58 1.948 2.245 -3.041 453 H PHE 59 H PHE 59 -1.508 -1.073 -5.350 454 HA PHE 59 HA PHE 59 -3.547 -1.665 -3.285 455 1HB PHE 59 1HB PHE 59 -3.267 -2.557 -6.172 456 2HB PHE 59 2HB PHE 59 -4.721 -2.706 -5.190 457 HD1 PHE 59 1HD PHE 59 -5.055 -0.047 -3.929 458 HD2 PHE 59 2HD PHE 59 -3.651 -1.148 -7.866 459 HE1 PHE 59 1HE PHE 59 -5.952 2.038 -4.831 460 HE2 PHE 59 2HE PHE 59 -4.614 0.972 -8.790 461 HZ PHE 59 HZ PHE 59 -5.750 2.558 -7.292 462 H ILE 60 H ILE 60 -4.554 -3.674 -3.218 463 HA ILE 60 HA ILE 60 -2.775 -5.976 -3.647 464 HB ILE 60 HB ILE 60 -3.566 -7.014 -1.673 465 1HG1 ILE 60 1HG1 ILE 60 -5.226 -4.529 -1.126 466 2HG1 ILE 60 2HG1 ILE 60 -5.817 -6.171 -1.380 467 1HG2 ILE 60 1HG2 ILE 60 -2.304 -5.782 -0.082 468 2HG2 ILE 60 2HG2 ILE 60 -1.614 -5.462 -1.679 469 3HG2 ILE 60 3HG2 ILE 60 -2.709 -4.255 -0.924 470 1HD1 ILE 60 1HD1 ILE 60 -4.168 -5.310 0.994 471 2HD1 ILE 60 2HD1 ILE 60 -5.922 -5.473 0.973 472 3HD1 ILE 60 3HD1 ILE 60 -4.901 -6.901 0.747 473 H LYS 61 H LYS 61 -3.701 -7.432 -4.994 474 HA LYS 61 HA LYS 61 -6.628 -7.515 -5.088 475 1HB LYS 61 1HB LYS 61 -6.303 -8.165 -7.579 476 2HB LYS 61 2HB LYS 61 -6.534 -6.471 -7.082 477 1HG LYS 61 1HG LYS 61 -4.334 -5.958 -7.484 478 2HG LYS 61 2HG LYS 61 -3.800 -7.650 -7.287 479 1HD LYS 61 1HD LYS 61 -5.153 -8.094 -9.505 480 2HD LYS 61 2HD LYS 61 -5.024 -6.313 -9.688 481 1HE LYS 61 1HE LYS 61 -2.649 -6.400 -9.550 482 2HE LYS 61 2HE LYS 61 -2.714 -8.012 -8.874 483 1HZ LYS 61 1HZ LYS 61 -1.905 -8.146 -11.053 484 2HZ LYS 61 2HZ LYS 61 -3.404 -8.817 -11.094 485 3HZ LYS 61 3HZ LYS 61 -3.125 -7.294 -11.722 486 H ARG 62 H ARG 62 -7.527 -9.521 -5.686 487 HA ARG 62 HA ARG 62 -6.141 -11.621 -4.316 488 1HB ARG 62 1HB ARG 62 -8.162 -12.874 -4.497 489 2HB ARG 62 2HB ARG 62 -8.430 -11.270 -3.807 490 1HG ARG 62 1HG ARG 62 -9.511 -10.455 -5.740 491 2HG ARG 62 2HG ARG 62 -8.740 -11.646 -6.754 492 1HD ARG 62 1HD ARG 62 -10.647 -12.626 -4.641 493 2HD ARG 62 2HD ARG 62 -11.301 -11.805 -6.076 494 HE ARG 62 HE ARG 62 -9.493 -13.659 -7.076 495 1HH1 ARG 62 2HH2 ARG 62 -12.546 -13.749 -5.238 496 2HH1 ARG 62 1HH2 ARG 62 -12.943 -15.363 -5.781 497 1HH2 ARG 62 2HH1 ARG 62 -10.264 -15.536 -8.104 498 2HH2 ARG 62 1HH1 ARG 62 -11.651 -16.379 -7.509 499 H SER 63 H SER 63 -4.529 -11.380 -6.209 500 HA SER 63 HA SER 63 -3.219 -12.501 -7.670 501 1HB SER 63 1HB SER 63 -3.460 -14.233 -5.905 502 2HB SER 63 2HB SER 63 -4.772 -14.971 -6.829 503 HG SER 63 HG SER 63 -2.992 -16.026 -7.383 504 H ASP 64 H ASP 64 -5.760 -14.790 -8.497 505 HA ASP 64 HA ASP 64 -6.777 -15.267 -10.401 506 1HB ASP 64 1HB ASP 64 -7.853 -12.830 -9.392 507 2HB ASP 64 2HB ASP 64 -7.880 -12.702 -11.151 508 H ALA 65 H ALA 65 -4.273 -15.171 -10.661 509 HA ALA 65 HA ALA 65 -3.651 -14.400 -13.418 510 1HB ALA 65 1HB ALA 65 -3.270 -12.306 -12.156 511 2HB ALA 65 2HB ALA 65 -2.222 -13.176 -11.016 512 3HB ALA 65 3HB ALA 65 -1.745 -12.984 -12.723 513 H LEU 66 H LEU 66 -3.531 -16.753 -11.093 514 HA LEU 66 HA LEU 66 -0.961 -17.842 -12.093 515 1HB LEU 66 1HB LEU 66 -1.797 -17.336 -9.267 516 2HB LEU 66 2HB LEU 66 -0.838 -18.777 -9.606 517 HG LEU 66 HG LEU 66 0.133 -16.132 -10.694 518 1HD1 LEU 66 1HD1 LEU 66 -0.403 -15.644 -8.400 519 2HD1 LEU 66 2HD1 LEU 66 0.430 -17.102 -7.830 520 3HD1 LEU 66 3HD1 LEU 66 1.352 -15.754 -8.590 521 1HD2 LEU 66 1HD2 LEU 66 1.260 -18.301 -11.288 522 2HD2 LEU 66 2HD2 LEU 66 2.308 -17.190 -10.408 523 3HD2 LEU 66 3HD2 LEU 66 1.593 -18.576 -9.567 524 H SER 67 H SER 67 -0.895 -20.271 -11.328 525 HA SER 67 HA SER 67 -3.055 -21.538 -12.726 526 1HB SER 67 1HB SER 67 -1.693 -23.613 -12.138 527 2HB SER 67 2HB SER 67 -0.881 -22.370 -13.101 528 HG SER 67 HG SER 67 -0.749 -22.543 -10.281 529 H THR 68 H THR 68 -4.968 -21.662 -11.732 530 HA THR 68 HA THR 68 -6.569 -21.712 -10.188 531 HB THR 68 HB THR 68 -6.453 -23.835 -11.310 532 HG1 THR 68 1HG THR 68 -7.915 -24.803 -10.009 533 1HG2 THR 68 1HG2 THR 68 -5.763 -25.890 -10.223 534 2HG2 THR 68 2HG2 THR 68 -4.374 -24.803 -10.324 535 3HG2 THR 68 3HG2 THR 68 -5.245 -25.032 -8.789 536 H ASN 69 H ASN 69 -6.120 -20.193 -8.707 537 HA ASN 69 HA ASN 69 -4.249 -20.491 -6.657 538 1HB ASN 69 1HB ASN 69 -5.791 -18.410 -7.542 539 2HB ASN 69 2HB ASN 69 -6.531 -18.678 -5.983 540 1HD2 ASN 69 1HD2 ASN 69 -4.968 -18.692 -4.024 541 2HD2 ASN 69 2HD2 ASN 69 -3.436 -17.906 -4.206 542 H HIS 70 H HIS 70 -7.685 -21.055 -6.500 543 HA HIS 70 HA HIS 70 -9.046 -21.664 -4.787 544 1HB HIS 70 1HB HIS 70 -8.654 -23.489 -6.448 545 2HB HIS 70 2HB HIS 70 -7.523 -24.226 -5.325 546 HD1 HIS 70 1HD HIS 70 -9.556 -26.298 -5.556 547 HD2 HIS 70 2HD HIS 70 -10.470 -22.744 -3.441 548 HE1 HIS 70 1HE HIS 70 -11.524 -26.812 -4.071 549 H GLY 71 H GLY 71 -8.496 -20.523 -2.887 550 1HA GLY 71 1HA GLY 71 -8.218 -22.322 -0.700 551 2HA GLY 71 2HA GLY 71 -6.716 -21.400 -0.926 552 H HIS 72 H HIS 72 -6.986 -20.382 1.018 553 HA HIS 72 HA HIS 72 -9.185 -18.839 1.909 554 1HB HIS 72 1HB HIS 72 -6.709 -19.580 2.895 555 2HB HIS 72 2HB HIS 72 -6.484 -17.854 2.643 556 HD1 HIS 72 1HD HIS 72 -8.214 -20.345 4.902 557 HD2 HIS 72 2HD HIS 72 -8.218 -16.225 4.051 558 HE1 HIS 72 1HE HIS 72 -9.565 -19.212 6.770 559 H LYS 73 H LYS 73 -8.945 -16.295 2.215 560 HA LYS 73 HA LYS 73 -8.759 -15.117 -0.401 561 1HB LYS 73 1HB LYS 73 -8.848 -13.667 2.255 562 2HB LYS 73 2HB LYS 73 -9.038 -12.972 0.631 563 1HG LYS 73 1HG LYS 73 -11.067 -14.456 0.309 564 2HG LYS 73 2HG LYS 73 -10.937 -14.909 2.027 565 1HD LYS 73 1HD LYS 73 -10.962 -12.483 2.616 566 2HD LYS 73 2HD LYS 73 -11.208 -12.076 0.916 567 1HE LYS 73 1HE LYS 73 -13.103 -13.573 2.773 568 2HE LYS 73 2HE LYS 73 -13.262 -11.915 2.180 569 1HZ LYS 73 1HZ LYS 73 -13.546 -14.391 0.638 570 2HZ LYS 73 2HZ LYS 73 -14.647 -13.232 0.917 571 3HZ LYS 73 3HZ LYS 73 -13.392 -12.896 -0.090 572 H VAL 74 H VAL 74 -6.837 -15.487 -1.285 573 HA VAL 74 HA VAL 74 -4.332 -14.419 -0.138 574 HB VAL 74 HB VAL 74 -4.996 -15.739 -2.831 575 1HG1 VAL 74 1HG1 VAL 74 -2.340 -15.091 -1.505 576 2HG1 VAL 74 2HG1 VAL 74 -2.532 -16.130 -2.941 577 3HG1 VAL 74 3HG1 VAL 74 -2.966 -14.424 -3.037 578 1HG2 VAL 74 1HG2 VAL 74 -3.657 -17.683 -1.715 579 2HG2 VAL 74 2HG2 VAL 74 -4.032 -16.880 -0.185 580 3HG2 VAL 74 3HG2 VAL 74 -5.330 -17.455 -1.236 581 H VAL 75 H VAL 75 -3.255 -12.627 -1.236 582 HA VAL 75 HA VAL 75 -4.352 -11.457 -3.564 583 HB VAL 75 HB VAL 75 -4.168 -9.094 -2.740 584 1HG1 VAL 75 1HG1 VAL 75 -6.280 -8.867 -1.751 585 2HG1 VAL 75 2HG1 VAL 75 -6.450 -10.175 -2.897 586 3HG1 VAL 75 3HG1 VAL 75 -6.306 -10.554 -1.171 587 1HG2 VAL 75 1HG2 VAL 75 -4.131 -10.399 -0.016 588 2HG2 VAL 75 2HG2 VAL 75 -2.779 -9.501 -0.753 589 3HG2 VAL 75 3HG2 VAL 75 -4.276 -8.672 -0.324 590 H GLU 76 H GLU 76 -2.587 -9.473 -4.093 591 HA GLU 76 HA GLU 76 0.069 -10.427 -3.164 592 1HB GLU 76 1HB GLU 76 0.957 -10.340 -5.386 593 2HB GLU 76 2HB GLU 76 -0.455 -11.414 -5.367 594 1HG GLU 76 1HG GLU 76 -1.857 -9.627 -6.329 595 2HG GLU 76 2HG GLU 76 -0.448 -8.568 -6.390 596 H LEU 77 H LEU 77 1.738 -8.621 -4.128 597 HA LEU 77 HA LEU 77 0.795 -5.964 -3.213 598 1HB LEU 77 1HB LEU 77 3.458 -7.327 -3.646 599 2HB LEU 77 2HB LEU 77 3.356 -5.664 -4.204 600 HG LEU 77 HG LEU 77 2.657 -6.435 -1.364 601 1HD1 LEU 77 1HD1 LEU 77 5.026 -6.939 -1.763 602 2HD1 LEU 77 2HD1 LEU 77 5.258 -5.377 -2.573 603 3HD1 LEU 77 3HD1 LEU 77 4.912 -5.419 -0.848 604 1HD2 LEU 77 1HD2 LEU 77 3.312 -3.749 -2.680 605 2HD2 LEU 77 2HD2 LEU 77 1.684 -4.287 -2.253 606 3HD2 LEU 77 3HD2 LEU 77 2.886 -4.010 -0.980 607 H VAL 78 H VAL 78 0.249 -4.383 -4.816 608 HA VAL 78 HA VAL 78 1.388 -4.753 -7.481 609 HB VAL 78 HB VAL 78 -1.521 -3.911 -7.057 610 1HG1 VAL 78 1HG1 VAL 78 -0.108 -5.063 -9.486 611 2HG1 VAL 78 2HG1 VAL 78 -1.806 -4.556 -9.375 612 3HG1 VAL 78 3HG1 VAL 78 -0.530 -3.352 -9.249 613 1HG2 VAL 78 1HG2 VAL 78 -0.606 -6.728 -7.671 614 2HG2 VAL 78 2HG2 VAL 78 -1.413 -6.196 -6.157 615 3HG2 VAL 78 3HG2 VAL 78 -2.245 -6.067 -7.671 616 H ALA 79 H ALA 79 1.376 -2.530 -8.545 617 HA ALA 79 HA ALA 79 0.402 -0.359 -6.922 618 1HB ALA 79 1HB ALA 79 2.678 -0.462 -6.065 619 2HB ALA 79 2HB ALA 79 3.339 -0.465 -7.698 620 3HB ALA 79 3HB ALA 79 2.491 0.981 -7.072 621 H GLU 80 H GLU 80 0.111 1.595 -8.255 622 HA GLU 80 HA GLU 80 0.203 1.297 -11.175 623 1HB GLU 80 1HB GLU 80 -2.066 0.471 -9.495 624 2HB GLU 80 2HB GLU 80 -2.480 1.974 -10.285 625 1HG GLU 80 1HG GLU 80 -1.726 -0.656 -11.564 626 2HG GLU 80 2HG GLU 80 -3.270 0.167 -11.638 627 H MET 81 H MET 81 0.588 3.421 -11.943 628 HA MET 81 HA MET 81 0.646 5.500 -9.919 629 1HB MET 81 1HB MET 81 1.429 6.982 -11.610 630 2HB MET 81 2HB MET 81 2.363 5.514 -11.626 631 1HG MET 81 1HG MET 81 1.742 4.953 -13.738 632 2HG MET 81 2HG MET 81 0.088 5.517 -13.546 633 1HE MET 81 1HE MET 81 3.657 8.349 -14.387 634 2HE MET 81 2HE MET 81 3.209 7.914 -12.724 635 3HE MET 81 3HE MET 81 3.791 6.664 -13.851 636 H ASP 82 H ASP 82 -1.782 4.586 -12.312 637 HA ASP 82 HA ASP 82 -3.310 7.056 -11.534 638 1HB ASP 82 1HB ASP 82 -2.243 7.047 -13.865 639 2HB ASP 82 2HB ASP 82 -3.400 5.787 -14.275 640 H GLY 83 H GLY 83 -3.128 3.900 -11.133 641 1HA GLY 83 1HA GLY 83 -4.435 2.103 -10.854 642 2HA GLY 83 2HA GLY 83 -5.750 3.214 -10.391 643 H ILE 84 H ILE 84 -3.955 2.673 -13.453 644 HA ILE 84 HA ILE 84 -6.053 2.916 -15.311 645 HB ILE 84 HB ILE 84 -3.465 1.318 -15.223 646 1HG1 ILE 84 1HG1 ILE 84 -4.379 3.692 -16.900 647 2HG1 ILE 84 2HG1 ILE 84 -3.408 3.788 -15.432 648 1HG2 ILE 84 1HG2 ILE 84 -3.754 0.694 -17.601 649 2HG2 ILE 84 2HG2 ILE 84 -4.906 -0.090 -16.552 650 3HG2 ILE 84 3HG2 ILE 84 -5.427 1.293 -17.544 651 1HD1 ILE 84 1HD1 ILE 84 -1.627 2.420 -16.544 652 2HD1 ILE 84 2HD1 ILE 84 -2.548 2.538 -18.060 653 3HD1 ILE 84 3HD1 ILE 84 -1.921 4.000 -17.293 654 H GLN 85 H GLN 85 -4.910 0.094 -13.498 655 HA GLN 85 HA GLN 85 -7.547 -1.173 -13.851 656 1HB GLN 85 1HB GLN 85 -4.897 -2.673 -13.796 657 2HB GLN 85 2HB GLN 85 -6.517 -3.378 -13.825 658 1HG GLN 85 1HG GLN 85 -6.662 -1.880 -16.081 659 2HG GLN 85 2HG GLN 85 -4.912 -2.186 -16.031 660 1HE2 GLN 85 1HE2 GLN 85 -7.689 -3.376 -17.416 661 2HE2 GLN 85 2HE2 GLN 85 -7.253 -5.076 -17.412 662 H TYR 86 H TYR 86 -7.766 -2.720 -12.202 663 HA TYR 86 HA TYR 86 -7.872 -3.573 -10.097 664 1HB TYR 86 1HB TYR 86 -5.402 -2.184 -9.167 665 2HB TYR 86 2HB TYR 86 -5.972 -3.798 -8.805 666 HD1 TYR 86 1HD TYR 86 -3.331 -2.208 -10.215 667 HD2 TYR 86 2HD TYR 86 -6.296 -5.095 -11.427 668 HE1 TYR 86 1HE TYR 86 -1.805 -3.031 -11.949 669 HE2 TYR 86 2HE TYR 86 -4.774 -5.925 -13.181 670 HH TYR 86 HH TYR 86 -1.406 -4.709 -13.548 671 H GLY 87 H GLY 87 -6.939 -0.099 -10.043 672 1HA GLY 87 1HA GLY 87 -8.093 0.818 -7.685 673 2HA GLY 87 2HA GLY 87 -8.126 1.674 -9.239 674 H ARG 88 H ARG 88 -10.138 0.879 -6.909 675 HA ARG 88 HA ARG 88 -12.298 0.497 -6.599 676 1HB ARG 88 1HB ARG 88 -12.098 2.523 -8.151 677 2HB ARG 88 2HB ARG 88 -12.675 1.478 -9.440 678 1HG ARG 88 1HG ARG 88 -14.805 1.359 -8.599 679 2HG ARG 88 2HG ARG 88 -14.305 1.585 -6.913 680 1HD ARG 88 1HD ARG 88 -14.184 3.885 -7.061 681 2HD ARG 88 2HD ARG 88 -13.857 3.885 -8.789 682 HE ARG 88 HE ARG 88 -16.490 3.697 -7.473 683 1HH1 ARG 88 2HH2 ARG 88 -14.668 3.360 -10.540 684 2HH1 ARG 88 1HH2 ARG 88 -16.051 3.693 -11.532 685 1HH2 ARG 88 2HH1 ARG 88 -18.373 4.150 -8.944 686 2HH2 ARG 88 1HH1 ARG 88 -18.031 4.122 -10.644 687 H SER 89 H SER 89 -10.757 -1.746 -8.418 688 HA SER 89 HA SER 89 -13.113 -3.117 -9.482 689 1HB SER 89 1HB SER 89 -10.783 -3.197 -10.506 690 2HB SER 89 2HB SER 89 -10.279 -4.161 -9.101 691 HG SER 89 HG SER 89 -12.183 -4.748 -11.117 692 H GLY 90 H GLY 90 -13.971 -5.072 -8.595 693 1HA GLY 90 1HA GLY 90 -13.854 -5.362 -5.710 694 2HA GLY 90 2HA GLY 90 -14.756 -6.359 -6.851 695 H ILE 91 H ILE 91 -11.858 -6.619 -8.267 696 HA ILE 91 HA ILE 91 -10.975 -8.997 -6.883 697 HB ILE 91 HB ILE 91 -10.646 -8.460 -9.290 698 1HG1 ILE 91 1HG1 ILE 91 -8.203 -9.160 -7.729 699 2HG1 ILE 91 2HG1 ILE 91 -9.481 -10.273 -8.259 700 1HG2 ILE 91 1HG2 ILE 91 -8.252 -6.780 -8.507 701 2HG2 ILE 91 2HG2 ILE 91 -8.972 -6.991 -10.112 702 3HG2 ILE 91 3HG2 ILE 91 -9.821 -6.088 -8.865 703 1HD1 ILE 91 1HD1 ILE 91 -8.821 -9.965 -10.591 704 2HD1 ILE 91 2HD1 ILE 91 -7.539 -8.825 -10.105 705 3HD1 ILE 91 3HD1 ILE 91 -7.448 -10.514 -9.609 706 H THR 92 H THR 92 -10.574 -5.543 -6.361 707 HA THR 92 HA THR 92 -8.036 -5.931 -5.051 708 HB THR 92 HB THR 92 -9.494 -3.359 -5.748 709 HG1 THR 92 1HG THR 92 -8.542 -3.459 -7.658 710 1HG2 THR 92 1HG2 THR 92 -7.493 -3.122 -4.219 711 2HG2 THR 92 2HG2 THR 92 -6.520 -3.919 -5.473 712 3HG2 THR 92 3HG2 THR 92 -7.276 -2.349 -5.798 713 H LEU 93 H LEU 93 -7.739 -5.371 -2.830 714 HA LEU 93 HA LEU 93 -10.311 -5.192 -1.283 715 1HB LEU 93 1HB LEU 93 -7.712 -6.257 -0.254 716 2HB LEU 93 2HB LEU 93 -9.292 -6.333 0.500 717 HG LEU 93 HG LEU 93 -8.472 -7.755 -2.080 718 1HD1 LEU 93 1HD1 LEU 93 -9.123 -8.850 0.668 719 2HD1 LEU 93 2HD1 LEU 93 -8.503 -9.740 -0.766 720 3HD1 LEU 93 3HD1 LEU 93 -7.489 -8.536 0.066 721 1HD2 LEU 93 1HD2 LEU 93 -10.855 -7.289 -2.241 722 2HD2 LEU 93 2HD2 LEU 93 -10.648 -8.978 -1.781 723 3HD2 LEU 93 3HD2 LEU 93 -11.114 -7.774 -0.556 724 H GLY 94 H GLY 94 -7.126 -3.625 -1.614 725 1HA GLY 94 1HA GLY 94 -8.240 -1.099 -0.576 726 2HA GLY 94 2HA GLY 94 -7.328 -1.968 0.625 727 H VAL 95 H VAL 95 -6.198 0.236 0.205 728 HA VAL 95 HA VAL 95 -3.857 -0.218 -1.590 729 HB VAL 95 HB VAL 95 -4.831 2.384 -0.259 730 1HG1 VAL 95 1HG1 VAL 95 -2.381 2.462 -0.548 731 2HG1 VAL 95 2HG1 VAL 95 -2.532 1.843 -2.209 732 3HG1 VAL 95 3HG1 VAL 95 -3.085 3.476 -1.794 733 1HG2 VAL 95 1HG2 VAL 95 -6.182 1.634 -2.298 734 2HG2 VAL 95 2HG2 VAL 95 -5.552 3.288 -2.216 735 3HG2 VAL 95 3HG2 VAL 95 -4.687 2.089 -3.179 736 H LEU 96 H LEU 96 -1.913 -0.256 -0.624 737 HA LEU 96 HA LEU 96 -1.835 -0.679 2.289 738 1HB LEU 96 1HB LEU 96 0.117 -1.141 -0.002 739 2HB LEU 96 2HB LEU 96 0.513 -1.357 1.691 740 HG LEU 96 HG LEU 96 -1.778 -2.817 0.391 741 1HD1 LEU 96 1HD1 LEU 96 1.147 -3.634 0.649 742 2HD1 LEU 96 2HD1 LEU 96 -0.150 -4.781 0.263 743 3HD1 LEU 96 3HD1 LEU 96 0.191 -3.435 -0.839 744 1HD2 LEU 96 1HD2 LEU 96 -1.771 -2.779 2.889 745 2HD2 LEU 96 2HD2 LEU 96 -1.598 -4.401 2.206 746 3HD2 LEU 96 3HD2 LEU 96 -0.177 -3.556 2.847 747 H VAL 97 H VAL 97 -0.902 0.741 3.544 748 HA VAL 97 HA VAL 97 0.455 3.169 2.466 749 HB VAL 97 HB VAL 97 -1.022 4.491 3.987 750 1HG1 VAL 97 1HG1 VAL 97 -1.517 4.348 1.557 751 2HG1 VAL 97 2HG1 VAL 97 -2.561 2.934 1.854 752 3HG1 VAL 97 3HG1 VAL 97 -3.006 4.500 2.508 753 1HG2 VAL 97 1HG2 VAL 97 -3.076 3.586 4.897 754 2HG2 VAL 97 2HG2 VAL 97 -2.791 2.007 4.157 755 3HG2 VAL 97 3HG2 VAL 97 -1.742 2.583 5.471 756 HA PRO 98 HA PRO 98 3.038 2.426 5.951 757 1HB PRO 98 1HB PRO 98 3.842 5.013 6.685 758 2HB PRO 98 2HB PRO 98 4.541 3.971 5.422 759 1HG PRO 98 1HG PRO 98 2.753 6.334 5.105 760 2HG PRO 98 2HG PRO 98 3.923 5.638 3.960 761 1HD PRO 98 1HD PRO 98 1.123 5.320 3.892 762 2HD PRO 98 2HD PRO 98 2.316 4.353 2.981 763 H HIS 99 H HIS 99 2.531 1.856 8.034 764 HA HIS 99 HA HIS 99 0.378 3.323 9.478 765 1HB HIS 99 1HB HIS 99 -0.127 1.005 9.469 766 2HB HIS 99 2HB HIS 99 1.570 0.554 9.662 767 HD1 HIS 99 1HD HIS 99 2.129 -0.347 11.978 768 HD2 HIS 99 2HD HIS 99 -0.731 2.749 11.958 769 HE1 HIS 99 1HE HIS 99 1.489 0.017 14.380 770 H VAL 100 H VAL 100 1.464 5.116 10.329 771 HA VAL 100 HA VAL 100 4.003 4.596 11.801 772 HB VAL 100 HB VAL 100 4.301 7.042 11.638 773 1HG1 VAL 100 1HG1 VAL 100 4.896 7.068 9.278 774 2HG1 VAL 100 2HG1 VAL 100 5.283 5.487 9.967 775 3HG1 VAL 100 3HG1 VAL 100 3.843 5.682 8.942 776 1HG2 VAL 100 1HG2 VAL 100 1.898 7.707 11.417 777 2HG2 VAL 100 2HG2 VAL 100 2.900 8.352 10.120 778 3HG2 VAL 100 3HG2 VAL 100 1.855 6.974 9.797 779 H GLY 101 H GLY 101 1.614 3.616 12.998 780 1HA GLY 101 1HA GLY 101 1.021 3.502 15.220 781 2HA GLY 101 2HA GLY 101 1.908 4.985 15.535 782 H GLU 102 H GLU 102 -0.267 5.355 12.986 783 HA GLU 102 HA GLU 102 -1.533 7.561 14.105 784 1HB GLU 102 1HB GLU 102 -0.937 6.715 11.644 785 2HB GLU 102 2HB GLU 102 -2.562 6.084 11.659 786 1HG GLU 102 1HG GLU 102 -2.829 8.176 10.672 787 2HG GLU 102 2HG GLU 102 -3.273 8.518 12.333 788 H THR 103 H THR 103 -4.126 5.608 12.644 789 HA THR 103 HA THR 103 -5.259 4.768 15.203 790 HB THR 103 HB THR 103 -6.384 7.185 13.699 791 HG1 THR 103 1HG THR 103 -4.684 7.351 15.430 792 1HG2 THR 103 1HG2 THR 103 -7.492 5.589 16.045 793 2HG2 THR 103 2HG2 THR 103 -8.112 7.164 15.494 794 3HG2 THR 103 3HG2 THR 103 -8.232 5.754 14.424 795 HA PRO 104 HA PRO 104 -7.040 2.505 11.694 796 1HB PRO 104 1HB PRO 104 -6.951 -0.016 12.696 797 2HB PRO 104 2HB PRO 104 -5.531 0.861 12.084 798 1HG PRO 104 1HG PRO 104 -6.316 0.322 14.921 799 2HG PRO 104 2HG PRO 104 -4.682 0.474 14.236 800 1HD PRO 104 1HD PRO 104 -6.312 2.461 15.571 801 2HD PRO 104 2HD PRO 104 -4.695 2.688 14.885 802 H ILE 105 H ILE 105 -8.925 1.480 11.275 803 HA ILE 105 HA ILE 105 -11.031 1.577 13.391 804 HB ILE 105 HB ILE 105 -12.604 1.685 11.548 805 1HG1 ILE 105 1HG1 ILE 105 -10.972 0.551 9.817 806 2HG1 ILE 105 2HG1 ILE 105 -12.168 1.706 9.308 807 1HG2 ILE 105 1HG2 ILE 105 -10.524 3.907 11.452 808 2HG2 ILE 105 2HG2 ILE 105 -12.216 4.014 10.917 809 3HG2 ILE 105 3HG2 ILE 105 -11.832 3.718 12.619 810 1HD1 ILE 105 1HD1 ILE 105 -9.949 1.984 8.218 811 2HD1 ILE 105 2HD1 ILE 105 -10.548 3.439 9.026 812 3HD1 ILE 105 3HD1 ILE 105 -9.283 2.493 9.789 813 H ALA 106 H ALA 106 -9.177 -0.625 11.463 814 HA ALA 106 HA ALA 106 -10.626 -2.932 12.433 815 1HB ALA 106 1HB ALA 106 -12.097 -2.137 10.494 816 2HB ALA 106 2HB ALA 106 -10.708 -2.358 9.421 817 3HB ALA 106 3HB ALA 106 -11.423 -3.754 10.258 818 H TYR 107 H TYR 107 -9.725 -4.928 11.048 819 HA TYR 107 HA TYR 107 -6.985 -4.463 10.098 820 1HB TYR 107 1HB TYR 107 -7.863 -6.451 12.183 821 2HB TYR 107 2HB TYR 107 -6.617 -6.904 11.041 822 HD1 TYR 107 1HD TYR 107 -7.427 -3.943 13.290 823 HD2 TYR 107 2HD TYR 107 -4.400 -6.588 11.667 824 HE1 TYR 107 1HE TYR 107 -5.662 -2.646 14.423 825 HE2 TYR 107 2HE TYR 107 -2.658 -5.307 12.868 826 HH TYR 107 HH TYR 107 -2.261 -3.098 13.853 827 H ARG 108 H ARG 108 -6.348 -6.009 8.521 828 HA ARG 108 HA ARG 108 -8.441 -7.609 7.163 829 1HB ARG 108 1HB ARG 108 -6.862 -5.293 6.100 830 2HB ARG 108 2HB ARG 108 -7.255 -6.627 5.024 831 1HG ARG 108 1HG ARG 108 -9.483 -5.426 6.686 832 2HG ARG 108 2HG ARG 108 -8.904 -4.545 5.289 833 1HD ARG 108 1HD ARG 108 -9.307 -6.443 3.827 834 2HD ARG 108 2HD ARG 108 -9.914 -7.403 5.177 835 HE ARG 108 HE ARG 108 -11.300 -5.307 3.705 836 1HH1 ARG 108 2HH2 ARG 108 -11.230 -6.947 6.889 837 2HH1 ARG 108 1HH2 ARG 108 -12.890 -6.490 7.210 838 1HH2 ARG 108 2HH1 ARG 108 -13.480 -4.721 4.287 839 2HH2 ARG 108 1HH1 ARG 108 -14.122 -5.333 5.787 840 H ASN 109 H ASN 109 -7.543 -9.615 6.474 841 HA ASN 109 HA ASN 109 -4.652 -9.961 6.769 842 1HB ASN 109 1HB ASN 109 -5.330 -12.292 7.254 843 2HB ASN 109 2HB ASN 109 -5.544 -11.196 8.563 844 1HD2 ASN 109 1HD2 ASN 109 -6.774 -13.195 9.215 845 2HD2 ASN 109 2HD2 ASN 109 -8.478 -13.279 8.765 846 H VAL 110 H VAL 110 -3.702 -11.479 5.483 847 HA VAL 110 HA VAL 110 -5.006 -12.231 2.947 848 HB VAL 110 HB VAL 110 -3.187 -11.156 1.721 849 1HG1 VAL 110 1HG1 VAL 110 -5.263 -9.833 2.090 850 2HG1 VAL 110 2HG1 VAL 110 -4.538 -9.109 3.533 851 3HG1 VAL 110 3HG1 VAL 110 -3.825 -8.789 1.967 852 1HG2 VAL 110 1HG2 VAL 110 -2.218 -9.995 4.343 853 2HG2 VAL 110 2HG2 VAL 110 -1.355 -11.165 3.330 854 3HG2 VAL 110 3HG2 VAL 110 -1.649 -9.526 2.738 855 H LEU 111 H LEU 111 -3.131 -13.402 1.629 856 HA LEU 111 HA LEU 111 -1.093 -14.645 3.396 857 1HB LEU 111 1HB LEU 111 -2.520 -15.546 0.892 858 2HB LEU 111 2HB LEU 111 -0.950 -16.203 1.255 859 HG LEU 111 HG LEU 111 -2.828 -17.644 1.613 860 1HD1 LEU 111 1HD1 LEU 111 -1.373 -17.129 4.203 861 2HD1 LEU 111 2HD1 LEU 111 -2.237 -18.612 3.781 862 3HD1 LEU 111 3HD1 LEU 111 -0.807 -18.136 2.866 863 1HD2 LEU 111 1HD2 LEU 111 -4.375 -17.469 3.482 864 2HD2 LEU 111 2HD2 LEU 111 -3.712 -15.881 3.900 865 3HD2 LEU 111 3HD2 LEU 111 -4.552 -16.116 2.353 866 H LEU 112 H LEU 112 0.966 -14.827 2.157 867 HA LEU 112 HA LEU 112 1.440 -12.701 0.135 868 1HB LEU 112 1HB LEU 112 1.995 -11.990 2.509 869 2HB LEU 112 2HB LEU 112 3.159 -13.262 2.584 870 HG LEU 112 HG LEU 112 3.617 -10.649 1.831 871 1HD1 LEU 112 1HD1 LEU 112 5.890 -11.387 1.233 872 2HD1 LEU 112 2HD1 LEU 112 5.291 -12.199 2.688 873 3HD1 LEU 112 3HD1 LEU 112 5.313 -13.062 1.128 874 1HD2 LEU 112 1HD2 LEU 112 2.656 -10.988 -0.484 875 2HD2 LEU 112 2HD2 LEU 112 4.323 -10.435 -0.411 876 3HD2 LEU 112 3HD2 LEU 112 4.005 -12.124 -0.792 877 H ARG 113 H ARG 113 2.250 -13.656 -1.559 878 HA ARG 113 HA ARG 113 2.876 -16.254 -2.026 879 1HB ARG 113 1HB ARG 113 3.984 -13.764 -3.364 880 2HB ARG 113 2HB ARG 113 4.143 -15.381 -4.035 881 1HG ARG 113 1HG ARG 113 2.030 -15.420 -4.821 882 2HG ARG 113 2HG ARG 113 1.378 -14.892 -3.304 883 1HD ARG 113 1HD ARG 113 0.717 -13.134 -4.551 884 2HD ARG 113 2HD ARG 113 2.270 -12.511 -4.029 885 HE ARG 113 HE ARG 113 3.206 -12.959 -6.177 886 1HH1 ARG 113 2HH2 ARG 113 -0.269 -13.921 -6.242 887 2HH1 ARG 113 1HH2 ARG 113 -0.496 -13.172 -7.801 888 1HH2 ARG 113 2HH1 ARG 113 2.829 -12.230 -8.280 889 2HH2 ARG 113 1HH1 ARG 113 1.346 -12.565 -9.095 890 H LYS 114 H LYS 114 4.506 -17.630 -1.720 891 HA LYS 114 HA LYS 114 7.207 -16.665 -1.510 892 1HB LYS 114 1HB LYS 114 7.825 -18.371 0.172 893 2HB LYS 114 2HB LYS 114 6.891 -17.044 0.853 894 1HG LYS 114 1HG LYS 114 5.116 -18.350 1.402 895 2HG LYS 114 2HG LYS 114 5.264 -19.408 0.022 896 1HD LYS 114 1HD LYS 114 5.668 -20.501 2.237 897 2HD LYS 114 2HD LYS 114 6.911 -20.763 1.010 898 1HE LYS 114 1HE LYS 114 8.404 -19.160 2.056 899 2HE LYS 114 2HE LYS 114 7.140 -18.639 3.184 900 1HZ LYS 114 1HZ LYS 114 8.809 -20.204 4.080 901 2HZ LYS 114 2HZ LYS 114 7.246 -20.686 4.285 902 3HZ LYS 114 3HZ LYS 114 8.209 -21.412 3.169 903 H ASN 115 H ASN 115 8.620 -18.192 -2.389 904 HA ASN 115 HA ASN 115 7.385 -20.304 -4.050 905 1HB ASN 115 1HB ASN 115 10.318 -19.574 -3.604 906 2HB ASN 115 2HB ASN 115 9.714 -20.773 -4.739 907 1HD2 ASN 115 1HD2 ASN 115 7.688 -19.714 -6.161 908 2HD2 ASN 115 2HD2 ASN 115 8.106 -18.141 -6.811 909 H GLY 116 H GLY 116 9.256 -19.817 -1.088 910 1HA GLY 116 1HA GLY 116 9.891 -21.241 0.623 911 2HA GLY 116 2HA GLY 116 8.731 -22.456 0.026 Start of MODEL 9 1 1H GLY 1 H GLY 1 0.628 -24.486 1.770 2 1HA GLY 1 1HA GLY 1 2.224 -22.928 2.659 3 2HA GLY 1 2HA GLY 1 2.234 -22.807 0.882 4 H HIS 2 H HIS 2 2.740 -20.593 0.668 5 HA HIS 2 HA HIS 2 2.581 -18.355 0.734 6 1HB HIS 2 1HB HIS 2 -0.375 -18.758 1.373 7 2HB HIS 2 2HB HIS 2 0.322 -17.283 0.955 8 HD1 HIS 2 1HD HIS 2 -0.156 -20.741 -0.773 9 HD2 HIS 2 2HD HIS 2 0.116 -16.610 -1.376 10 HE1 HIS 2 1HE HIS 2 -0.400 -20.393 -3.282 11 H VAL 3 H VAL 3 1.999 -16.383 2.447 12 HA VAL 3 HA VAL 3 2.347 -17.473 5.205 13 HB VAL 3 HB VAL 3 4.391 -16.453 4.075 14 1HG1 VAL 3 1HG1 VAL 3 3.315 -13.868 5.056 15 2HG1 VAL 3 2HG1 VAL 3 5.007 -14.200 4.629 16 3HG1 VAL 3 3HG1 VAL 3 3.756 -14.359 3.395 17 1HG2 VAL 3 1HG2 VAL 3 4.308 -17.342 6.377 18 2HG2 VAL 3 2HG2 VAL 3 5.348 -15.910 6.275 19 3HG2 VAL 3 3HG2 VAL 3 3.710 -15.766 6.941 20 H GLN 4 H GLN 4 1.305 -16.550 6.700 21 HA GLN 4 HA GLN 4 -0.949 -14.834 5.827 22 1HB GLN 4 1HB GLN 4 -0.862 -16.821 7.751 23 2HB GLN 4 2HB GLN 4 -0.763 -15.345 8.734 24 1HG GLN 4 1HG GLN 4 -2.709 -14.456 7.390 25 2HG GLN 4 2HG GLN 4 -2.795 -16.011 6.568 26 1HE2 GLN 4 1HE2 GLN 4 -4.399 -14.291 8.871 27 2HE2 GLN 4 2HE2 GLN 4 -5.044 -15.606 9.832 28 H LEU 5 H LEU 5 -1.208 -12.692 6.247 29 HA LEU 5 HA LEU 5 0.576 -11.389 8.170 30 1HB LEU 5 1HB LEU 5 0.190 -10.455 5.301 31 2HB LEU 5 2HB LEU 5 0.773 -9.410 6.589 32 HG LEU 5 HG LEU 5 2.207 -11.912 5.579 33 1HD1 LEU 5 1HD1 LEU 5 2.265 -10.053 3.968 34 2HD1 LEU 5 2HD1 LEU 5 2.747 -8.916 5.238 35 3HD1 LEU 5 3HD1 LEU 5 3.858 -10.203 4.742 36 1HD2 LEU 5 1HD2 LEU 5 3.064 -9.807 7.630 37 2HD2 LEU 5 2HD2 LEU 5 2.770 -11.532 7.944 38 3HD2 LEU 5 3HD2 LEU 5 4.128 -11.048 6.936 39 H SER 6 H SER 6 -0.438 -9.419 9.047 40 HA SER 6 HA SER 6 -3.151 -8.845 8.041 41 1HB SER 6 1HB SER 6 -3.195 -10.343 10.170 42 2HB SER 6 2HB SER 6 -2.584 -8.909 11.010 43 HG SER 6 HG SER 6 -4.832 -9.086 11.050 44 H LEU 7 H LEU 7 -3.779 -6.667 8.453 45 HA LEU 7 HA LEU 7 -1.602 -4.789 9.144 46 1HB LEU 7 1HB LEU 7 -3.233 -4.736 6.580 47 2HB LEU 7 2HB LEU 7 -2.041 -3.537 7.067 48 HG LEU 7 HG LEU 7 -1.426 -6.456 6.424 49 1HD1 LEU 7 1HD1 LEU 7 -2.162 -5.113 4.472 50 2HD1 LEU 7 2HD1 LEU 7 -0.900 -3.922 4.843 51 3HD1 LEU 7 3HD1 LEU 7 -0.444 -5.577 4.376 52 1HD2 LEU 7 1HD2 LEU 7 0.244 -5.322 8.014 53 2HD2 LEU 7 2HD2 LEU 7 0.915 -5.850 6.485 54 3HD2 LEU 7 3HD2 LEU 7 0.537 -4.132 6.747 55 HA PRO 8 HA PRO 8 -5.194 -2.783 10.942 56 1HB PRO 8 1HB PRO 8 -4.301 -0.201 11.159 57 2HB PRO 8 2HB PRO 8 -3.753 -1.511 12.231 58 1HG PRO 8 1HG PRO 8 -2.383 -0.386 9.802 59 2HG PRO 8 2HG PRO 8 -1.679 -0.779 11.404 60 1HD PRO 8 1HD PRO 8 -1.485 -2.495 9.292 61 2HD PRO 8 2HD PRO 8 -1.660 -3.069 10.967 62 H VAL 9 H VAL 9 -6.979 -2.012 9.968 63 HA VAL 9 HA VAL 9 -6.907 -0.813 7.273 64 HB VAL 9 HB VAL 9 -9.337 -1.386 9.030 65 1HG1 VAL 9 1HG1 VAL 9 -9.040 -1.019 6.011 66 2HG1 VAL 9 2HG1 VAL 9 -10.556 -1.239 6.926 67 3HG1 VAL 9 3HG1 VAL 9 -9.592 0.227 7.125 68 1HG2 VAL 9 1HG2 VAL 9 -8.307 -3.540 8.668 69 2HG2 VAL 9 2HG2 VAL 9 -9.685 -3.406 7.576 70 3HG2 VAL 9 3HG2 VAL 9 -8.029 -3.177 6.959 71 H LEU 10 H LEU 10 -6.660 1.336 7.252 72 HA LEU 10 HA LEU 10 -7.186 2.983 9.699 73 1HB LEU 10 1HB LEU 10 -5.195 3.343 7.437 74 2HB LEU 10 2HB LEU 10 -5.374 4.417 8.832 75 HG LEU 10 HG LEU 10 -4.539 1.516 9.180 76 1HD1 LEU 10 1HD1 LEU 10 -2.649 3.856 8.736 77 2HD1 LEU 10 2HD1 LEU 10 -2.217 2.166 9.103 78 3HD1 LEU 10 3HD1 LEU 10 -2.984 2.565 7.560 79 1HD2 LEU 10 1HD2 LEU 10 -5.256 2.880 11.149 80 2HD2 LEU 10 2HD2 LEU 10 -3.591 2.304 11.263 81 3HD2 LEU 10 3HD2 LEU 10 -3.931 4.003 10.836 82 H GLN 11 H GLN 11 -8.144 5.154 9.119 83 HA GLN 11 HA GLN 11 -9.789 4.991 6.677 84 1HB GLN 11 1HB GLN 11 -9.543 7.112 8.852 85 2HB GLN 11 2HB GLN 11 -10.540 7.268 7.415 86 1HG GLN 11 1HG GLN 11 -11.531 4.959 8.109 87 2HG GLN 11 2HG GLN 11 -10.870 5.340 9.704 88 1HE2 GLN 11 1HE2 GLN 11 -13.484 5.878 7.476 89 2HE2 GLN 11 2HE2 GLN 11 -14.286 7.120 8.445 90 H VAL 12 H VAL 12 -9.654 6.504 4.887 91 HA VAL 12 HA VAL 12 -6.997 7.193 4.085 92 HB VAL 12 HB VAL 12 -8.821 6.647 2.566 93 1HG1 VAL 12 1HG1 VAL 12 -10.555 8.246 1.930 94 2HG1 VAL 12 2HG1 VAL 12 -10.742 7.777 3.618 95 3HG1 VAL 12 3HG1 VAL 12 -10.044 9.362 3.217 96 1HG2 VAL 12 1HG2 VAL 12 -7.794 9.449 2.002 97 2HG2 VAL 12 2HG2 VAL 12 -6.828 7.972 1.852 98 3HG2 VAL 12 3HG2 VAL 12 -8.260 8.195 0.827 99 H ARG 13 H ARG 13 -9.407 8.879 6.071 100 HA ARG 13 HA ARG 13 -8.119 11.441 5.770 101 1HB ARG 13 1HB ARG 13 -9.415 12.050 7.879 102 2HB ARG 13 2HB ARG 13 -10.359 11.680 6.446 103 1HG ARG 13 1HG ARG 13 -11.160 9.680 7.279 104 2HG ARG 13 2HG ARG 13 -9.830 9.438 8.400 105 1HD ARG 13 1HD ARG 13 -11.356 11.866 9.037 106 2HD ARG 13 2HD ARG 13 -12.371 10.412 8.982 107 HE ARG 13 HE ARG 13 -9.829 10.272 10.530 108 1HH1 ARG 13 2HH2 ARG 13 -13.390 10.166 10.586 109 2HH1 ARG 13 1HH2 ARG 13 -13.438 9.452 12.128 110 1HH2 ARG 13 2HH1 ARG 13 -9.881 9.296 12.363 111 2HH2 ARG 13 1HH1 ARG 13 -11.330 8.864 13.222 112 H ASP 14 H ASP 14 -7.799 8.696 7.973 113 HA ASP 14 HA ASP 14 -6.404 10.129 10.058 114 1HB ASP 14 1HB ASP 14 -6.950 7.193 9.437 115 2HB ASP 14 2HB ASP 14 -5.919 7.664 10.762 116 H VAL 15 H VAL 15 -5.691 8.055 7.382 117 HA VAL 15 HA VAL 15 -2.831 7.947 7.608 118 HB VAL 15 HB VAL 15 -4.526 7.389 5.127 119 1HG1 VAL 15 1HG1 VAL 15 -1.879 6.265 6.152 120 2HG1 VAL 15 2HG1 VAL 15 -2.649 6.002 4.554 121 3HG1 VAL 15 3HG1 VAL 15 -2.012 7.583 4.997 122 1HG2 VAL 15 1HG2 VAL 15 -5.210 5.945 7.217 123 2HG2 VAL 15 2HG2 VAL 15 -4.720 5.095 5.761 124 3HG2 VAL 15 3HG2 VAL 15 -3.603 5.279 7.139 125 H LEU 16 H LEU 16 -2.810 10.319 8.090 126 HA LEU 16 HA LEU 16 -3.007 12.438 6.365 127 1HB LEU 16 1HB LEU 16 -0.743 11.586 8.202 128 2HB LEU 16 2HB LEU 16 -0.777 13.129 7.394 129 HG LEU 16 HG LEU 16 -2.898 12.170 9.355 130 1HD1 LEU 16 1HD1 LEU 16 -1.867 13.756 10.935 131 2HD1 LEU 16 2HD1 LEU 16 -0.709 12.519 10.435 132 3HD1 LEU 16 3HD1 LEU 16 -0.604 14.150 9.734 133 1HD2 LEU 16 1HD2 LEU 16 -3.588 14.563 9.394 134 2HD2 LEU 16 2HD2 LEU 16 -2.447 14.909 8.080 135 3HD2 LEU 16 3HD2 LEU 16 -3.846 13.824 7.808 136 H VAL 17 H VAL 17 -0.242 10.021 6.243 137 HA VAL 17 HA VAL 17 0.308 11.062 3.521 138 HB VAL 17 HB VAL 17 2.065 9.514 5.461 139 1HG1 VAL 17 1HG1 VAL 17 3.910 9.948 3.781 140 2HG1 VAL 17 2HG1 VAL 17 2.714 8.759 3.280 141 3HG1 VAL 17 3HG1 VAL 17 2.657 10.415 2.619 142 1HG2 VAL 17 1HG2 VAL 17 2.413 12.325 4.449 143 2HG2 VAL 17 2HG2 VAL 17 1.891 11.855 6.100 144 3HG2 VAL 17 3HG2 VAL 17 3.509 11.406 5.523 145 H ARG 18 H ARG 18 -0.685 9.857 1.995 146 HA ARG 18 HA ARG 18 -0.895 6.950 2.435 147 1HB ARG 18 1HB ARG 18 -2.286 8.421 0.254 148 2HB ARG 18 2HB ARG 18 -2.653 6.878 1.087 149 1HG ARG 18 1HG ARG 18 -4.198 8.096 2.129 150 2HG ARG 18 2HG ARG 18 -2.868 8.480 3.182 151 1HD ARG 18 1HD ARG 18 -2.460 10.530 1.757 152 2HD ARG 18 2HD ARG 18 -3.852 10.049 0.798 153 HE ARG 18 HE ARG 18 -4.346 10.241 3.641 154 1HH1 ARG 18 2HH2 ARG 18 -4.241 12.373 0.787 155 2HH1 ARG 18 1HH2 ARG 18 -5.451 13.456 1.416 156 1HH2 ARG 18 2HH1 ARG 18 -6.032 11.440 4.280 157 2HH2 ARG 18 1HH1 ARG 18 -6.413 12.993 3.574 158 H GLY 19 H GLY 19 1.664 8.417 1.313 159 1HA GLY 19 1HA GLY 19 1.910 6.876 -1.212 160 2HA GLY 19 2HA GLY 19 2.711 8.418 -0.883 161 H PHE 20 H PHE 20 3.489 5.374 -1.117 162 HA PHE 20 HA PHE 20 5.478 5.393 1.097 163 1HB PHE 20 1HB PHE 20 5.068 3.522 -1.271 164 2HB PHE 20 2HB PHE 20 6.357 3.428 -0.093 165 HD1 PHE 20 1HD PHE 20 5.654 3.251 2.455 166 HD2 PHE 20 2HD PHE 20 3.178 2.160 -0.910 167 HE1 PHE 20 1HE PHE 20 4.323 1.736 3.897 168 HE2 PHE 20 2HE PHE 20 1.867 0.650 0.543 169 HZ PHE 20 HZ PHE 20 2.440 0.435 2.946 170 H GLY 21 H GLY 21 4.985 6.713 -2.120 171 1HA GLY 21 1HA GLY 21 7.441 8.027 -2.310 172 2HA GLY 21 2HA GLY 21 7.561 6.510 -3.232 173 H ASP 22 H ASP 22 7.817 8.458 -4.823 174 HA ASP 22 HA ASP 22 5.227 9.445 -5.770 175 1HB ASP 22 1HB ASP 22 6.889 11.096 -5.256 176 2HB ASP 22 2HB ASP 22 8.094 10.294 -6.275 177 H SER 23 H SER 23 7.495 7.040 -6.796 178 HA SER 23 HA SER 23 6.238 6.993 -9.520 179 1HB SER 23 1HB SER 23 8.881 5.757 -8.728 180 2HB SER 23 2HB SER 23 8.173 5.840 -10.340 181 HG SER 23 HG SER 23 8.357 8.196 -10.125 182 H VAL 24 H VAL 24 5.875 4.802 -10.379 183 HA VAL 24 HA VAL 24 4.380 3.201 -8.584 184 HB VAL 24 HB VAL 24 5.476 2.415 -11.328 185 1HG1 VAL 24 1HG1 VAL 24 3.165 1.220 -9.792 186 2HG1 VAL 24 2HG1 VAL 24 3.703 0.776 -11.426 187 3HG1 VAL 24 3HG1 VAL 24 4.735 0.402 -10.042 188 1HG2 VAL 24 1HG2 VAL 24 2.851 3.526 -10.369 189 2HG2 VAL 24 2HG2 VAL 24 4.075 4.381 -11.340 190 3HG2 VAL 24 3HG2 VAL 24 3.210 2.995 -12.043 191 H GLU 25 H GLU 25 7.596 2.404 -10.064 192 HA GLU 25 HA GLU 25 7.674 0.051 -8.584 193 1HB GLU 25 1HB GLU 25 9.647 1.578 -10.166 194 2HB GLU 25 2HB GLU 25 10.302 0.361 -9.069 195 1HG GLU 25 1HG GLU 25 8.664 -1.302 -10.110 196 2HG GLU 25 2HG GLU 25 8.396 -0.085 -11.390 197 H GLU 26 H GLU 26 8.833 3.271 -7.825 198 HA GLU 26 HA GLU 26 10.443 2.780 -5.531 199 1HB GLU 26 1HB GLU 26 8.541 5.118 -6.141 200 2HB GLU 26 2HB GLU 26 9.621 5.048 -4.753 201 1HG GLU 26 1HG GLU 26 10.548 4.915 -7.654 202 2HG GLU 26 2HG GLU 26 10.600 6.330 -6.614 203 H ALA 27 H ALA 27 6.942 3.576 -5.704 204 HA ALA 27 HA ALA 27 6.516 3.247 -2.921 205 1HB ALA 27 1HB ALA 27 4.527 3.054 -5.227 206 2HB ALA 27 2HB ALA 27 4.136 3.375 -3.531 207 3HB ALA 27 3HB ALA 27 5.074 4.569 -4.452 208 H LEU 28 H LEU 28 6.111 0.972 -5.676 209 HA LEU 28 HA LEU 28 4.970 -1.137 -4.178 210 1HB LEU 28 1HB LEU 28 5.661 -0.732 -6.821 211 2HB LEU 28 2HB LEU 28 6.830 -1.945 -6.355 212 HG LEU 28 HG LEU 28 3.801 -2.123 -6.055 213 1HD1 LEU 28 1HD1 LEU 28 3.976 -3.786 -7.905 214 2HD1 LEU 28 2HD1 LEU 28 4.563 -2.189 -8.402 215 3HD1 LEU 28 3HD1 LEU 28 5.717 -3.471 -7.992 216 1HD2 LEU 28 1HD2 LEU 28 4.103 -4.503 -5.609 217 2HD2 LEU 28 2HD2 LEU 28 5.860 -4.294 -5.613 218 3HD2 LEU 28 3HD2 LEU 28 4.854 -3.531 -4.345 219 H SER 29 H SER 29 8.465 -0.365 -4.705 220 HA SER 29 HA SER 29 9.479 -2.724 -3.391 221 1HB SER 29 1HB SER 29 10.591 0.032 -4.024 222 2HB SER 29 2HB SER 29 11.490 -1.104 -3.029 223 HG SER 29 HG SER 29 12.057 -1.466 -5.200 224 H GLU 30 H GLU 30 8.962 0.653 -2.308 225 HA GLU 30 HA GLU 30 9.896 0.382 0.347 226 1HB GLU 30 1HB GLU 30 7.683 2.003 -0.998 227 2HB GLU 30 2HB GLU 30 8.266 2.323 0.648 228 1HG GLU 30 1HG GLU 30 10.214 2.423 -1.652 229 2HG GLU 30 2HG GLU 30 9.003 3.691 -1.380 230 H ALA 31 H ALA 31 6.645 -0.175 -1.094 231 HA ALA 31 HA ALA 31 5.201 -0.691 1.292 232 1HB ALA 31 1HB ALA 31 4.839 -1.835 -1.495 233 2HB ALA 31 2HB ALA 31 3.612 -1.758 -0.212 234 3HB ALA 31 3HB ALA 31 4.277 -0.255 -0.927 235 H ARG 32 H ARG 32 6.923 -2.954 -0.864 236 HA ARG 32 HA ARG 32 6.549 -5.324 0.763 237 1HB ARG 32 1HB ARG 32 8.739 -4.480 -1.179 238 2HB ARG 32 2HB ARG 32 8.583 -6.115 -0.566 239 1HG ARG 32 1HG ARG 32 6.706 -6.580 -1.845 240 2HG ARG 32 2HG ARG 32 6.208 -4.894 -1.967 241 1HD ARG 32 1HD ARG 32 7.100 -4.662 -3.930 242 2HD ARG 32 2HD ARG 32 8.688 -5.025 -3.330 243 HE ARG 32 HE ARG 32 6.721 -6.919 -4.539 244 1HH1 ARG 32 2HH2 ARG 32 10.103 -6.240 -3.553 245 2HH1 ARG 32 1HH2 ARG 32 10.640 -7.830 -3.992 246 1HH2 ARG 32 2HH1 ARG 32 7.530 -8.893 -5.323 247 2HH2 ARG 32 1HH1 ARG 32 9.256 -9.148 -5.404 248 H GLU 33 H GLU 33 8.876 -2.659 0.950 249 HA GLU 33 HA GLU 33 10.372 -3.922 3.000 250 1HB GLU 33 1HB GLU 33 10.360 -1.370 1.496 251 2HB GLU 33 2HB GLU 33 10.844 -1.136 3.170 252 1HG GLU 33 1HG GLU 33 12.623 -2.530 3.030 253 2HG GLU 33 2HG GLU 33 12.024 -3.447 1.652 254 H HIS 34 H HIS 34 7.701 -1.502 3.162 255 HA HIS 34 HA HIS 34 7.901 -1.138 6.014 256 1HB HIS 34 1HB HIS 34 5.736 -0.537 3.962 257 2HB HIS 34 2HB HIS 34 5.564 -0.201 5.684 258 HD1 HIS 34 1HD HIS 34 8.406 0.702 3.136 259 HD2 HIS 34 2HD HIS 34 5.913 2.330 6.132 260 HE1 HIS 34 1HE HIS 34 9.143 3.114 3.450 261 H LEU 35 H LEU 35 6.228 -3.386 3.854 262 HA LEU 35 HA LEU 35 4.634 -4.638 5.867 263 1HB LEU 35 1HB LEU 35 5.677 -5.551 3.167 264 2HB LEU 35 2HB LEU 35 4.629 -6.573 4.145 265 HG LEU 35 HG LEU 35 3.823 -3.751 3.297 266 1HD1 LEU 35 1HD1 LEU 35 3.212 -6.434 1.997 267 2HD1 LEU 35 2HD1 LEU 35 2.466 -4.876 1.561 268 3HD1 LEU 35 3HD1 LEU 35 4.201 -5.110 1.322 269 1HD2 LEU 35 1HD2 LEU 35 1.587 -4.531 3.764 270 2HD2 LEU 35 2HD2 LEU 35 2.221 -6.115 4.308 271 3HD2 LEU 35 3HD2 LEU 35 2.601 -4.623 5.203 272 H LYS 36 H LYS 36 8.067 -5.008 5.025 273 HA LYS 36 HA LYS 36 8.434 -7.475 6.519 274 1HB LYS 36 1HB LYS 36 9.904 -6.340 4.623 275 2HB LYS 36 2HB LYS 36 10.622 -5.446 5.948 276 1HG LYS 36 1HG LYS 36 10.436 -8.467 5.740 277 2HG LYS 36 2HG LYS 36 11.825 -7.538 5.195 278 1HD LYS 36 1HD LYS 36 10.874 -7.787 8.077 279 2HD LYS 36 2HD LYS 36 12.240 -8.614 7.373 280 1HE LYS 36 1HE LYS 36 12.036 -5.574 7.566 281 2HE LYS 36 2HE LYS 36 12.782 -6.587 8.791 282 1HZ LYS 36 1HZ LYS 36 14.414 -5.719 7.362 283 2HZ LYS 36 2HZ LYS 36 14.408 -7.321 7.143 284 3HZ LYS 36 3HZ LYS 36 13.743 -6.322 5.994 285 H ASN 37 H ASN 37 8.925 -4.011 7.060 286 HA ASN 37 HA ASN 37 9.950 -4.170 9.685 287 1HB ASN 37 1HB ASN 37 8.503 -1.967 8.189 288 2HB ASN 37 2HB ASN 37 9.066 -1.755 9.854 289 1HD2 ASN 37 1HD2 ASN 37 10.201 -2.456 6.484 290 2HD2 ASN 37 2HD2 ASN 37 11.802 -1.920 6.846 291 H GLY 38 H GLY 38 6.745 -3.594 8.541 292 1HA GLY 38 1HA GLY 38 4.774 -4.630 9.867 293 2HA GLY 38 2HA GLY 38 5.549 -3.936 11.286 294 H THR 39 H THR 39 6.154 -1.645 8.962 295 HA THR 39 HA THR 39 4.315 0.246 10.188 296 HB THR 39 HB THR 39 5.924 1.747 8.754 297 HG1 THR 39 1HG THR 39 7.753 0.701 7.988 298 1HG2 THR 39 1HG2 THR 39 7.175 -0.041 10.884 299 2HG2 THR 39 2HG2 THR 39 7.747 1.555 10.317 300 3HG2 THR 39 3HG2 THR 39 6.207 1.411 11.189 301 H CYS 40 H CYS 40 2.836 -1.524 8.584 302 HA CYS 40 HA CYS 40 2.102 0.264 6.344 303 1HB CYS 40 1HB CYS 40 3.575 -1.258 5.313 304 2HB CYS 40 2HB CYS 40 2.802 -2.652 6.091 305 HG CYS 40 HG CYS 40 1.197 -0.428 4.228 306 H GLY 41 H GLY 41 -0.035 0.351 5.966 307 1HA GLY 41 1HA GLY 41 -1.901 -1.386 7.441 308 2HA GLY 41 2HA GLY 41 -2.076 0.358 7.520 309 H LEU 42 H LEU 42 -4.208 -0.530 6.500 310 HA LEU 42 HA LEU 42 -4.066 -0.688 3.515 311 1HB LEU 42 1HB LEU 42 -4.543 -2.880 4.677 312 2HB LEU 42 2HB LEU 42 -5.867 -2.104 5.524 313 HG LEU 42 HG LEU 42 -6.685 -1.594 2.967 314 1HD1 LEU 42 1HD1 LEU 42 -4.697 -2.711 1.977 315 2HD1 LEU 42 2HD1 LEU 42 -5.217 -4.232 2.732 316 3HD1 LEU 42 3HD1 LEU 42 -6.235 -3.421 1.503 317 1HD2 LEU 42 1HD2 LEU 42 -7.121 -4.203 4.402 318 2HD2 LEU 42 2HD2 LEU 42 -7.979 -2.688 4.713 319 3HD2 LEU 42 3HD2 LEU 42 -8.166 -3.463 3.150 320 H VAL 43 H VAL 43 -5.648 0.391 2.417 321 HA VAL 43 HA VAL 43 -7.735 1.843 3.906 322 HB VAL 43 HB VAL 43 -6.036 2.721 1.553 323 1HG1 VAL 43 1HG1 VAL 43 -8.343 3.297 0.934 324 2HG1 VAL 43 2HG1 VAL 43 -8.621 4.028 2.530 325 3HG1 VAL 43 3HG1 VAL 43 -7.468 4.759 1.386 326 1HG2 VAL 43 1HG2 VAL 43 -6.665 4.044 4.232 327 2HG2 VAL 43 2HG2 VAL 43 -5.144 3.244 3.796 328 3HG2 VAL 43 3HG2 VAL 43 -5.626 4.725 2.960 329 H GLU 44 H GLU 44 -9.712 1.351 3.374 330 HA GLU 44 HA GLU 44 -10.372 -0.711 1.426 331 1HB GLU 44 1HB GLU 44 -12.004 1.249 3.094 332 2HB GLU 44 2HB GLU 44 -12.727 0.100 1.966 333 1HG GLU 44 1HG GLU 44 -11.850 -1.786 3.188 334 2HG GLU 44 2HG GLU 44 -10.909 -0.741 4.263 335 H LEU 45 H LEU 45 -10.804 -0.360 -0.667 336 HA LEU 45 HA LEU 45 -10.432 2.286 -1.832 337 1HB LEU 45 1HB LEU 45 -10.895 -0.523 -2.835 338 2HB LEU 45 2HB LEU 45 -11.246 0.815 -3.926 339 HG LEU 45 HG LEU 45 -8.600 0.751 -2.426 340 1HD1 LEU 45 1HD1 LEU 45 -8.861 -1.432 -3.630 341 2HD1 LEU 45 2HD1 LEU 45 -9.140 -0.510 -5.115 342 3HD1 LEU 45 3HD1 LEU 45 -7.554 -0.424 -4.278 343 1HD2 LEU 45 1HD2 LEU 45 -7.899 2.083 -4.434 344 2HD2 LEU 45 2HD2 LEU 45 -9.524 1.931 -5.100 345 3HD2 LEU 45 3HD2 LEU 45 -9.245 2.852 -3.604 346 H GLU 46 H GLU 46 -11.951 3.733 -2.335 347 HA GLU 46 HA GLU 46 -14.689 2.901 -2.845 348 1HB GLU 46 1HB GLU 46 -14.047 5.190 -0.927 349 2HB GLU 46 2HB GLU 46 -15.652 4.623 -1.420 350 1HG GLU 46 1HG GLU 46 -15.178 2.430 -0.293 351 2HG GLU 46 2HG GLU 46 -13.662 3.079 0.294 352 H LYS 47 H LYS 47 -15.790 4.891 -3.940 353 HA LYS 47 HA LYS 47 -14.095 5.760 -6.017 354 1HB LYS 47 1HB LYS 47 -16.566 5.383 -6.074 355 2HB LYS 47 2HB LYS 47 -16.807 6.931 -5.267 356 1HG LYS 47 1HG LYS 47 -15.919 8.152 -7.107 357 2HG LYS 47 2HG LYS 47 -15.155 6.735 -7.806 358 1HD LYS 47 1HD LYS 47 -18.162 7.163 -7.593 359 2HD LYS 47 2HD LYS 47 -17.218 7.561 -9.033 360 1HE LYS 47 1HE LYS 47 -17.298 4.765 -7.840 361 2HE LYS 47 2HE LYS 47 -18.444 5.314 -9.062 362 1HZ LYS 47 1HZ LYS 47 -16.727 5.529 -10.625 363 2HZ LYS 47 2HZ LYS 47 -15.534 5.467 -9.521 364 3HZ LYS 47 3HZ LYS 47 -16.400 4.108 -9.860 365 H GLY 48 H GLY 48 -14.495 7.236 -2.898 366 1HA GLY 48 1HA GLY 48 -13.501 9.840 -3.841 367 2HA GLY 48 2HA GLY 48 -14.025 9.433 -2.217 368 H VAL 49 H VAL 49 -11.850 7.002 -3.383 369 HA VAL 49 HA VAL 49 -9.882 8.041 -1.482 370 HB VAL 49 HB VAL 49 -10.211 5.425 -2.984 371 1HG1 VAL 49 1HG1 VAL 49 -8.177 6.075 -0.819 372 2HG1 VAL 49 2HG1 VAL 49 -8.533 4.445 -1.428 373 3HG1 VAL 49 3HG1 VAL 49 -7.834 5.642 -2.512 374 1HG2 VAL 49 1HG2 VAL 49 -10.627 6.143 -0.035 375 2HG2 VAL 49 2HG2 VAL 49 -11.917 5.837 -1.204 376 3HG2 VAL 49 3HG2 VAL 49 -10.830 4.533 -0.727 377 H LEU 50 H LEU 50 -9.765 6.957 -4.939 378 HA LEU 50 HA LEU 50 -7.120 7.521 -5.496 379 1HB LEU 50 1HB LEU 50 -9.674 7.772 -7.049 380 2HB LEU 50 2HB LEU 50 -8.195 8.353 -7.780 381 HG LEU 50 HG LEU 50 -9.256 5.740 -7.779 382 1HD1 LEU 50 1HD1 LEU 50 -8.176 6.752 -9.688 383 2HD1 LEU 50 2HD1 LEU 50 -6.629 6.782 -8.831 384 3HD1 LEU 50 3HD1 LEU 50 -7.351 5.224 -9.288 385 1HD2 LEU 50 1HD2 LEU 50 -6.486 5.641 -6.583 386 2HD2 LEU 50 2HD2 LEU 50 -7.982 5.213 -5.688 387 3HD2 LEU 50 3HD2 LEU 50 -7.484 4.267 -7.088 388 HA PRO 51 HA PRO 51 -7.589 12.119 -6.199 389 1HB PRO 51 1HB PRO 51 -9.852 13.557 -5.749 390 2HB PRO 51 2HB PRO 51 -9.697 12.472 -7.158 391 1HG PRO 51 1HG PRO 51 -11.060 11.933 -4.498 392 2HG PRO 51 2HG PRO 51 -11.702 11.651 -6.146 393 1HD PRO 51 1HD PRO 51 -10.457 9.738 -4.595 394 2HD PRO 51 2HD PRO 51 -10.467 9.647 -6.353 395 H GLN 52 H GLN 52 -7.047 10.774 -3.757 396 HA GLN 52 HA GLN 52 -6.611 13.052 -1.937 397 1HB GLN 52 1HB GLN 52 -7.756 10.392 -0.927 398 2HB GLN 52 2HB GLN 52 -7.273 11.781 0.036 399 1HG GLN 52 1HG GLN 52 -9.123 13.075 -1.248 400 2HG GLN 52 2HG GLN 52 -9.671 11.509 -1.799 401 1HE2 GLN 52 1HE2 GLN 52 -11.108 10.479 -0.414 402 2HE2 GLN 52 2HE2 GLN 52 -11.329 10.852 1.296 403 H LEU 53 H LEU 53 -5.852 9.907 -3.253 404 HA LEU 53 HA LEU 53 -3.598 9.430 -1.435 405 1HB LEU 53 1HB LEU 53 -4.943 8.056 -3.774 406 2HB LEU 53 2HB LEU 53 -3.362 7.529 -3.225 407 HG LEU 53 HG LEU 53 -5.693 6.481 -2.302 408 1HD1 LEU 53 1HD1 LEU 53 -4.295 5.829 -0.212 409 2HD1 LEU 53 2HD1 LEU 53 -3.661 5.434 -1.840 410 3HD1 LEU 53 3HD1 LEU 53 -3.020 6.817 -0.994 411 1HD2 LEU 53 1HD2 LEU 53 -6.181 7.058 -0.059 412 2HD2 LEU 53 2HD2 LEU 53 -5.067 8.437 -0.089 413 3HD2 LEU 53 3HD2 LEU 53 -6.524 8.432 -1.093 414 H GLU 54 H GLU 54 -1.403 8.846 -2.861 415 HA GLU 54 HA GLU 54 -0.676 11.495 -3.879 416 1HB GLU 54 1HB GLU 54 0.885 8.921 -3.435 417 2HB GLU 54 2HB GLU 54 1.567 10.395 -4.103 418 1HG GLU 54 1HG GLU 54 0.354 10.096 -1.321 419 2HG GLU 54 2HG GLU 54 2.071 10.142 -1.727 420 H GLN 55 H GLN 55 0.090 8.363 -5.330 421 HA GLN 55 HA GLN 55 -1.467 8.752 -7.624 422 1HB GLN 55 1HB GLN 55 1.149 10.094 -7.569 423 2HB GLN 55 2HB GLN 55 0.944 8.900 -8.909 424 1HG GLN 55 1HG GLN 55 -1.464 10.342 -8.969 425 2HG GLN 55 2HG GLN 55 -0.310 11.571 -8.457 426 1HE2 GLN 55 1HE2 GLN 55 -0.708 8.912 -10.823 427 2HE2 GLN 55 2HE2 GLN 55 0.064 9.717 -12.170 428 HA PRO 56 HA PRO 56 1.075 4.904 -8.153 429 1HB PRO 56 1HB PRO 56 3.266 4.181 -6.783 430 2HB PRO 56 2HB PRO 56 3.278 5.165 -8.286 431 1HG PRO 56 1HG PRO 56 3.651 6.128 -5.472 432 2HG PRO 56 2HG PRO 56 4.421 6.666 -6.955 433 1HD PRO 56 1HD PRO 56 2.264 7.999 -5.824 434 2HD PRO 56 2HD PRO 56 2.707 8.094 -7.553 435 H TYR 57 H TYR 57 -0.799 4.503 -7.292 436 HA TYR 57 HA TYR 57 -1.372 4.004 -4.495 437 1HB TYR 57 1HB TYR 57 -2.931 2.940 -6.880 438 2HB TYR 57 2HB TYR 57 -3.534 3.319 -5.283 439 HD1 TYR 57 1HD TYR 57 -2.729 6.061 -4.748 440 HD2 TYR 57 2HD TYR 57 -3.749 4.303 -8.553 441 HE1 TYR 57 1HE TYR 57 -3.319 8.328 -5.647 442 HE2 TYR 57 2HE TYR 57 -4.238 6.554 -9.466 443 HH TYR 57 HH TYR 57 -4.236 8.834 -9.049 444 H VAL 58 H VAL 58 -0.171 2.367 -3.532 445 HA VAL 58 HA VAL 58 0.491 -0.061 -5.011 446 HB VAL 58 HB VAL 58 0.878 0.481 -2.047 447 1HG1 VAL 58 1HG1 VAL 58 2.112 -1.587 -3.955 448 2HG1 VAL 58 2HG1 VAL 58 2.462 -1.403 -2.223 449 3HG1 VAL 58 3HG1 VAL 58 0.876 -1.936 -2.736 450 1HG2 VAL 58 1HG2 VAL 58 3.255 0.873 -2.733 451 2HG2 VAL 58 2HG2 VAL 58 2.770 0.848 -4.423 452 3HG2 VAL 58 3HG2 VAL 58 2.155 2.117 -3.344 453 H PHE 59 H PHE 59 -1.124 -1.342 -5.478 454 HA PHE 59 HA PHE 59 -3.513 -1.616 -3.704 455 1HB PHE 59 1HB PHE 59 -2.936 -2.510 -6.552 456 2HB PHE 59 2HB PHE 59 -4.454 -2.691 -5.712 457 HD1 PHE 59 1HD PHE 59 -3.211 -1.069 -8.322 458 HD2 PHE 59 2HD PHE 59 -5.020 -0.124 -4.555 459 HE1 PHE 59 1HE PHE 59 -4.371 0.918 -9.362 460 HE2 PHE 59 2HE PHE 59 -6.064 1.917 -5.537 461 HZ PHE 59 HZ PHE 59 -5.935 2.270 -8.019 462 H ILE 60 H ILE 60 -4.494 -3.650 -3.626 463 HA ILE 60 HA ILE 60 -2.623 -5.922 -3.757 464 HB ILE 60 HB ILE 60 -3.717 -6.871 -1.816 465 1HG1 ILE 60 1HG1 ILE 60 -5.015 -4.166 -1.295 466 2HG1 ILE 60 2HG1 ILE 60 -5.890 -5.567 -1.930 467 1HG2 ILE 60 1HG2 ILE 60 -1.623 -5.498 -1.692 468 2HG2 ILE 60 2HG2 ILE 60 -2.651 -4.110 -1.234 469 3HG2 ILE 60 3HG2 ILE 60 -2.527 -5.537 -0.174 470 1HD1 ILE 60 1HD1 ILE 60 -5.433 -6.862 0.058 471 2HD1 ILE 60 2HD1 ILE 60 -4.539 -5.487 0.762 472 3HD1 ILE 60 3HD1 ILE 60 -6.272 -5.343 0.414 473 H LYS 61 H LYS 61 -3.382 -7.588 -5.001 474 HA LYS 61 HA LYS 61 -6.327 -7.662 -5.467 475 1HB LYS 61 1HB LYS 61 -5.383 -8.928 -7.734 476 2HB LYS 61 2HB LYS 61 -5.990 -7.274 -7.664 477 1HG LYS 61 1HG LYS 61 -3.771 -6.440 -7.666 478 2HG LYS 61 2HG LYS 61 -3.082 -8.072 -7.409 479 1HD LYS 61 1HD LYS 61 -2.771 -7.417 -9.807 480 2HD LYS 61 2HD LYS 61 -3.921 -8.764 -9.671 481 1HE LYS 61 1HE LYS 61 -5.669 -6.753 -9.632 482 2HE LYS 61 2HE LYS 61 -4.257 -5.845 -10.206 483 1HZ LYS 61 1HZ LYS 61 -5.626 -6.732 -12.039 484 2HZ LYS 61 2HZ LYS 61 -4.155 -7.460 -12.090 485 3HZ LYS 61 3HZ LYS 61 -5.486 -8.253 -11.552 486 H ARG 62 H ARG 62 -7.260 -9.672 -5.673 487 HA ARG 62 HA ARG 62 -6.208 -11.401 -3.682 488 1HB ARG 62 1HB ARG 62 -8.362 -12.743 -4.241 489 2HB ARG 62 2HB ARG 62 -8.406 -11.234 -3.387 490 1HG ARG 62 1HG ARG 62 -9.217 -10.040 -5.062 491 2HG ARG 62 2HG ARG 62 -8.759 -11.107 -6.376 492 1HD ARG 62 1HD ARG 62 -10.790 -12.008 -4.296 493 2HD ARG 62 2HD ARG 62 -11.276 -10.960 -5.636 494 HE ARG 62 HE ARG 62 -10.158 -13.707 -5.805 495 1HH1 ARG 62 2HH2 ARG 62 -11.852 -11.192 -7.591 496 2HH1 ARG 62 1HH2 ARG 62 -11.424 -11.783 -9.160 497 1HH2 ARG 62 2HH1 ARG 62 -9.880 -14.731 -7.770 498 2HH2 ARG 62 1HH1 ARG 62 -10.150 -13.918 -9.240 499 H SER 63 H SER 63 -4.515 -11.541 -5.729 500 HA SER 63 HA SER 63 -3.150 -12.837 -6.960 501 1HB SER 63 1HB SER 63 -2.988 -14.303 -5.047 502 2HB SER 63 2HB SER 63 -4.514 -15.085 -5.443 503 HG SER 63 HG SER 63 -2.256 -15.129 -7.167 504 H ASP 64 H ASP 64 -6.375 -14.403 -7.062 505 HA ASP 64 HA ASP 64 -7.681 -15.186 -8.672 506 1HB ASP 64 1HB ASP 64 -7.700 -12.837 -9.392 507 2HB ASP 64 2HB ASP 64 -6.385 -13.173 -10.513 508 H ALA 65 H ALA 65 -4.728 -16.151 -8.329 509 HA ALA 65 HA ALA 65 -4.537 -17.773 -10.815 510 1HB ALA 65 1HB ALA 65 -2.148 -17.352 -10.836 511 2HB ALA 65 2HB ALA 65 -3.013 -15.806 -10.847 512 3HB ALA 65 3HB ALA 65 -2.261 -16.404 -9.346 513 H LEU 66 H LEU 66 -5.737 -18.699 -8.427 514 HA LEU 66 HA LEU 66 -4.040 -21.077 -7.934 515 1HB LEU 66 1HB LEU 66 -5.175 -19.389 -5.671 516 2HB LEU 66 2HB LEU 66 -4.545 -21.011 -5.468 517 HG LEU 66 HG LEU 66 -2.764 -18.846 -6.637 518 1HD1 LEU 66 1HD1 LEU 66 -3.122 -19.353 -3.692 519 2HD1 LEU 66 2HD1 LEU 66 -2.043 -18.191 -4.510 520 3HD1 LEU 66 3HD1 LEU 66 -3.779 -17.959 -4.601 521 1HD2 LEU 66 1HD2 LEU 66 -1.983 -21.201 -6.749 522 2HD2 LEU 66 2HD2 LEU 66 -0.979 -20.220 -5.671 523 3HD2 LEU 66 3HD2 LEU 66 -2.183 -21.348 -4.992 524 H SER 67 H SER 67 -7.124 -19.341 -7.457 525 HA SER 67 HA SER 67 -9.242 -19.975 -7.307 526 1HB SER 67 1HB SER 67 -8.251 -21.226 -9.465 527 2HB SER 67 2HB SER 67 -8.855 -22.635 -8.589 528 HG SER 67 HG SER 67 -10.541 -21.934 -9.741 529 H THR 68 H THR 68 -8.296 -20.080 -4.942 530 HA THR 68 HA THR 68 -7.802 -22.547 -3.667 531 HB THR 68 HB THR 68 -8.378 -21.055 -1.578 532 HG1 THR 68 1HG THR 68 -9.476 -19.421 -2.396 533 1HG2 THR 68 1HG2 THR 68 -6.283 -19.745 -1.811 534 2HG2 THR 68 2HG2 THR 68 -6.127 -21.460 -2.113 535 3HG2 THR 68 3HG2 THR 68 -6.138 -20.322 -3.498 536 H ASN 69 H ASN 69 -10.825 -21.243 -4.611 537 HA ASN 69 HA ASN 69 -12.993 -21.715 -3.961 538 1HB ASN 69 1HB ASN 69 -12.120 -23.069 -5.878 539 2HB ASN 69 2HB ASN 69 -12.097 -24.454 -4.785 540 1HD2 ASN 69 1HD2 ASN 69 -13.851 -23.912 -7.206 541 2HD2 ASN 69 2HD2 ASN 69 -15.472 -24.083 -6.581 542 H HIS 70 H HIS 70 -12.652 -21.290 -1.656 543 HA HIS 70 HA HIS 70 -13.562 -21.653 0.371 544 1HB HIS 70 1HB HIS 70 -14.855 -23.621 -0.549 545 2HB HIS 70 2HB HIS 70 -13.536 -24.655 -0.042 546 HD1 HIS 70 1HD HIS 70 -14.458 -25.950 1.973 547 HD2 HIS 70 2HD HIS 70 -15.448 -21.844 1.886 548 HE1 HIS 70 1HE HIS 70 -15.812 -25.506 4.068 549 H GLY 71 H GLY 71 -12.129 -21.131 1.909 550 1HA GLY 71 1HA GLY 71 -10.476 -22.519 3.391 551 2HA GLY 71 2HA GLY 71 -9.454 -22.429 1.951 552 H HIS 72 H HIS 72 -8.463 -20.502 1.378 553 HA HIS 72 HA HIS 72 -8.786 -18.162 3.194 554 1HB HIS 72 1HB HIS 72 -6.165 -19.093 2.013 555 2HB HIS 72 2HB HIS 72 -6.434 -17.936 3.322 556 HD1 HIS 72 1HD HIS 72 -5.737 -21.518 2.743 557 HD2 HIS 72 2HD HIS 72 -7.634 -19.148 5.670 558 HE1 HIS 72 1HE HIS 72 -6.096 -23.028 4.807 559 H LYS 73 H LYS 73 -7.724 -16.187 2.231 560 HA LYS 73 HA LYS 73 -8.419 -15.956 -0.635 561 1HB LYS 73 1HB LYS 73 -9.429 -14.197 1.635 562 2HB LYS 73 2HB LYS 73 -9.582 -13.858 -0.096 563 1HG LYS 73 1HG LYS 73 -10.741 -16.141 -0.304 564 2HG LYS 73 2HG LYS 73 -10.933 -16.070 1.463 565 1HD LYS 73 1HD LYS 73 -11.850 -14.075 -0.627 566 2HD LYS 73 2HD LYS 73 -12.903 -15.190 0.282 567 1HE LYS 73 1HE LYS 73 -11.413 -13.700 2.226 568 2HE LYS 73 2HE LYS 73 -11.919 -12.523 1.006 569 1HZ LYS 73 1HZ LYS 73 -13.630 -14.298 2.615 570 2HZ LYS 73 2HZ LYS 73 -13.533 -12.666 2.693 571 3HZ LYS 73 3HZ LYS 73 -14.223 -13.373 1.381 572 H VAL 74 H VAL 74 -6.246 -16.095 -0.847 573 HA VAL 74 HA VAL 74 -4.373 -14.358 0.482 574 HB VAL 74 HB VAL 74 -2.718 -15.317 -0.792 575 1HG1 VAL 74 1HG1 VAL 74 -4.115 -17.061 0.554 576 2HG1 VAL 74 2HG1 VAL 74 -4.719 -17.595 -1.013 577 3HG1 VAL 74 3HG1 VAL 74 -2.985 -17.678 -0.660 578 1HG2 VAL 74 1HG2 VAL 74 -3.342 -14.812 -3.004 579 2HG2 VAL 74 2HG2 VAL 74 -2.827 -16.488 -2.840 580 3HG2 VAL 74 3HG2 VAL 74 -4.575 -16.112 -3.003 581 H VAL 75 H VAL 75 -2.986 -12.624 -0.641 582 HA VAL 75 HA VAL 75 -4.221 -11.476 -3.024 583 HB VAL 75 HB VAL 75 -4.359 -9.256 -2.286 584 1HG1 VAL 75 1HG1 VAL 75 -6.016 -9.231 -0.484 585 2HG1 VAL 75 2HG1 VAL 75 -6.313 -10.524 -1.635 586 3HG1 VAL 75 3HG1 VAL 75 -5.603 -10.888 -0.041 587 1HG2 VAL 75 1HG2 VAL 75 -3.889 -8.460 -0.025 588 2HG2 VAL 75 2HG2 VAL 75 -3.154 -10.030 0.377 589 3HG2 VAL 75 3HG2 VAL 75 -2.455 -8.980 -0.889 590 H GLU 76 H GLU 76 -2.580 -9.615 -3.823 591 HA GLU 76 HA GLU 76 0.162 -10.219 -3.022 592 1HB GLU 76 1HB GLU 76 0.959 -10.716 -5.131 593 2HB GLU 76 2HB GLU 76 -0.440 -11.772 -4.916 594 1HG GLU 76 1HG GLU 76 -1.778 -10.506 -6.441 595 2HG GLU 76 2HG GLU 76 -0.628 -9.171 -6.505 596 H LEU 77 H LEU 77 1.674 -8.652 -4.087 597 HA LEU 77 HA LEU 77 0.682 -5.936 -3.558 598 1HB LEU 77 1HB LEU 77 3.253 -7.490 -3.430 599 2HB LEU 77 2HB LEU 77 3.423 -5.793 -3.864 600 HG LEU 77 HG LEU 77 1.800 -6.595 -1.443 601 1HD1 LEU 77 1HD1 LEU 77 3.600 -6.978 -0.187 602 2HD1 LEU 77 2HD1 LEU 77 4.538 -7.146 -1.663 603 3HD1 LEU 77 3HD1 LEU 77 4.470 -5.571 -0.823 604 1HD2 LEU 77 1HD2 LEU 77 2.382 -4.262 -0.763 605 2HD2 LEU 77 2HD2 LEU 77 3.245 -4.033 -2.292 606 3HD2 LEU 77 3HD2 LEU 77 1.492 -4.298 -2.293 607 H VAL 78 H VAL 78 0.375 -4.456 -5.156 608 HA VAL 78 HA VAL 78 1.898 -4.631 -7.654 609 HB VAL 78 HB VAL 78 -1.000 -4.122 -8.175 610 1HG1 VAL 78 1HG1 VAL 78 0.908 -6.249 -9.216 611 2HG1 VAL 78 2HG1 VAL 78 -0.643 -5.753 -9.924 612 3HG1 VAL 78 3HG1 VAL 78 0.728 -4.609 -9.894 613 1HG2 VAL 78 1HG2 VAL 78 -0.321 -6.888 -7.124 614 2HG2 VAL 78 2HG2 VAL 78 -1.525 -5.730 -6.464 615 3HG2 VAL 78 3HG2 VAL 78 -1.687 -6.399 -8.095 616 H ALA 79 H ALA 79 1.795 -2.441 -8.803 617 HA ALA 79 HA ALA 79 0.460 -0.299 -7.258 618 1HB ALA 79 1HB ALA 79 2.712 -0.220 -6.387 619 2HB ALA 79 2HB ALA 79 3.404 -0.216 -8.019 620 3HB ALA 79 3HB ALA 79 2.436 1.158 -7.447 621 H GLU 80 H GLU 80 0.198 1.641 -8.546 622 HA GLU 80 HA GLU 80 0.259 1.501 -11.471 623 1HB GLU 80 1HB GLU 80 -1.996 0.677 -9.653 624 2HB GLU 80 2HB GLU 80 -2.423 1.980 -10.725 625 1HG GLU 80 1HG GLU 80 -1.332 -0.717 -11.621 626 2HG GLU 80 2HG GLU 80 -3.036 -0.265 -11.601 627 H MET 81 H MET 81 0.175 3.729 -12.199 628 HA MET 81 HA MET 81 0.086 5.675 -9.944 629 1HB MET 81 1HB MET 81 1.468 7.115 -11.110 630 2HB MET 81 2HB MET 81 2.174 5.547 -11.208 631 1HG MET 81 1HG MET 81 2.474 6.156 -13.391 632 2HG MET 81 2HG MET 81 0.875 5.432 -13.534 633 1HE MET 81 1HE MET 81 3.048 8.586 -13.860 634 2HE MET 81 2HE MET 81 1.922 9.929 -13.653 635 3HE MET 81 3HE MET 81 2.339 8.894 -12.260 636 H ASP 82 H ASP 82 -1.401 4.933 -13.069 637 HA ASP 82 HA ASP 82 -3.324 7.197 -12.641 638 1HB ASP 82 1HB ASP 82 -1.963 6.867 -14.845 639 2HB ASP 82 2HB ASP 82 -3.017 5.495 -15.150 640 H GLY 83 H GLY 83 -2.975 4.096 -11.813 641 1HA GLY 83 1HA GLY 83 -4.333 2.480 -11.017 642 2HA GLY 83 2HA GLY 83 -5.644 3.692 -10.966 643 H ILE 84 H ILE 84 -3.974 2.704 -13.883 644 HA ILE 84 HA ILE 84 -5.734 2.745 -15.798 645 HB ILE 84 HB ILE 84 -3.542 0.778 -15.199 646 1HG1 ILE 84 1HG1 ILE 84 -3.798 2.907 -17.358 647 2HG1 ILE 84 2HG1 ILE 84 -3.167 3.214 -15.748 648 1HG2 ILE 84 1HG2 ILE 84 -4.786 -0.699 -16.510 649 2HG2 ILE 84 2HG2 ILE 84 -5.203 0.560 -17.690 650 3HG2 ILE 84 3HG2 ILE 84 -3.540 -0.066 -17.545 651 1HD1 ILE 84 1HD1 ILE 84 -1.920 1.435 -17.862 652 2HD1 ILE 84 2HD1 ILE 84 -1.318 2.967 -17.210 653 3HD1 ILE 84 3HD1 ILE 84 -1.357 1.525 -16.176 654 H GLN 85 H GLN 85 -5.632 -0.070 -13.691 655 HA GLN 85 HA GLN 85 -8.230 -1.045 -14.739 656 1HB GLN 85 1HB GLN 85 -6.707 -2.007 -16.285 657 2HB GLN 85 2HB GLN 85 -5.500 -2.345 -15.050 658 1HG GLN 85 1HG GLN 85 -6.698 -4.325 -16.019 659 2HG GLN 85 2HG GLN 85 -6.574 -4.192 -14.261 660 1HE2 GLN 85 1HE2 GLN 85 -8.986 -2.508 -16.436 661 2HE2 GLN 85 2HE2 GLN 85 -10.350 -3.360 -15.779 662 H TYR 86 H TYR 86 -5.468 -1.735 -12.536 663 HA TYR 86 HA TYR 86 -6.887 -3.416 -10.760 664 1HB TYR 86 1HB TYR 86 -4.650 -1.464 -10.132 665 2HB TYR 86 2HB TYR 86 -5.096 -2.879 -9.181 666 HD1 TYR 86 1HD TYR 86 -2.299 -2.337 -10.127 667 HD2 TYR 86 2HD TYR 86 -5.523 -4.497 -12.045 668 HE1 TYR 86 1HE TYR 86 -0.672 -3.656 -11.420 669 HE2 TYR 86 2HE TYR 86 -3.844 -5.824 -13.290 670 HH TYR 86 HH TYR 86 -0.380 -5.332 -13.069 671 H GLY 87 H GLY 87 -6.469 0.130 -10.783 672 1HA GLY 87 1HA GLY 87 -7.919 0.849 -8.423 673 2HA GLY 87 2HA GLY 87 -7.362 1.882 -9.716 674 H ARG 88 H ARG 88 -9.468 -0.799 -10.024 675 HA ARG 88 HA ARG 88 -11.950 0.669 -10.133 676 1HB ARG 88 1HB ARG 88 -10.454 0.828 -12.538 677 2HB ARG 88 2HB ARG 88 -11.646 -0.410 -12.862 678 1HG ARG 88 1HG ARG 88 -13.221 1.480 -11.609 679 2HG ARG 88 2HG ARG 88 -11.968 2.518 -12.315 680 1HD ARG 88 1HD ARG 88 -12.607 0.838 -14.409 681 2HD ARG 88 2HD ARG 88 -14.154 0.903 -13.555 682 HE ARG 88 HE ARG 88 -12.961 2.808 -15.261 683 1HH1 ARG 88 2HH2 ARG 88 -14.461 3.209 -12.016 684 2HH1 ARG 88 1HH2 ARG 88 -15.400 4.561 -12.544 685 1HH2 ARG 88 2HH1 ARG 88 -14.041 4.749 -15.764 686 2HH2 ARG 88 1HH1 ARG 88 -14.891 5.606 -14.532 687 H SER 89 H SER 89 -10.606 -2.266 -9.469 688 HA SER 89 HA SER 89 -12.727 -3.823 -10.885 689 1HB SER 89 1HB SER 89 -9.739 -4.118 -10.635 690 2HB SER 89 2HB SER 89 -10.707 -5.568 -10.846 691 HG SER 89 HG SER 89 -10.038 -4.362 -12.856 692 H GLY 90 H GLY 90 -13.213 -5.989 -10.153 693 1HA GLY 90 1HA GLY 90 -13.818 -6.064 -7.319 694 2HA GLY 90 2HA GLY 90 -14.192 -7.279 -8.542 695 H ILE 91 H ILE 91 -11.267 -7.345 -9.402 696 HA ILE 91 HA ILE 91 -10.290 -9.269 -7.548 697 HB ILE 91 HB ILE 91 -9.729 -9.081 -9.957 698 1HG1 ILE 91 1HG1 ILE 91 -7.484 -9.170 -8.038 699 2HG1 ILE 91 2HG1 ILE 91 -8.500 -10.543 -8.516 700 1HG2 ILE 91 1HG2 ILE 91 -9.223 -6.530 -9.855 701 2HG2 ILE 91 2HG2 ILE 91 -7.659 -6.963 -9.211 702 3HG2 ILE 91 3HG2 ILE 91 -8.153 -7.516 -10.823 703 1HD1 ILE 91 1HD1 ILE 91 -6.516 -9.047 -10.264 704 2HD1 ILE 91 2HD1 ILE 91 -6.302 -10.669 -9.585 705 3HD1 ILE 91 3HD1 ILE 91 -7.567 -10.380 -10.800 706 H THR 92 H THR 92 -10.119 -5.686 -7.420 707 HA THR 92 HA THR 92 -7.689 -5.949 -5.815 708 HB THR 92 HB THR 92 -8.755 -3.319 -6.736 709 HG1 THR 92 1HG THR 92 -8.104 -3.565 -8.671 710 1HG2 THR 92 1HG2 THR 92 -5.985 -4.556 -6.416 711 2HG2 THR 92 2HG2 THR 92 -6.291 -2.927 -6.974 712 3HG2 THR 92 3HG2 THR 92 -6.741 -3.370 -5.311 713 H LEU 93 H LEU 93 -7.664 -5.597 -3.671 714 HA LEU 93 HA LEU 93 -10.343 -5.449 -2.465 715 1HB LEU 93 1HB LEU 93 -7.839 -6.223 -0.995 716 2HB LEU 93 2HB LEU 93 -9.511 -6.538 -0.613 717 HG LEU 93 HG LEU 93 -8.614 -8.561 -1.271 718 1HD1 LEU 93 1HD1 LEU 93 -9.945 -9.288 -3.089 719 2HD1 LEU 93 2HD1 LEU 93 -10.848 -8.046 -2.238 720 3HD1 LEU 93 3HD1 LEU 93 -10.050 -7.653 -3.778 721 1HD2 LEU 93 1HD2 LEU 93 -7.358 -9.138 -3.089 722 2HD2 LEU 93 2HD2 LEU 93 -7.504 -7.535 -3.805 723 3HD2 LEU 93 3HD2 LEU 93 -6.555 -7.784 -2.300 724 H GLY 94 H GLY 94 -7.130 -3.755 -2.096 725 1HA GLY 94 1HA GLY 94 -8.492 -1.387 -1.254 726 2HA GLY 94 2HA GLY 94 -7.580 -2.086 0.081 727 H VAL 95 H VAL 95 -6.515 -0.012 -0.301 728 HA VAL 95 HA VAL 95 -4.088 -0.323 -1.998 729 HB VAL 95 HB VAL 95 -5.386 2.227 -0.894 730 1HG1 VAL 95 1HG1 VAL 95 -3.624 3.393 -2.323 731 2HG1 VAL 95 2HG1 VAL 95 -2.997 2.622 -0.859 732 3HG1 VAL 95 3HG1 VAL 95 -2.803 1.853 -2.459 733 1HG2 VAL 95 1HG2 VAL 95 -6.133 2.871 -2.855 734 2HG2 VAL 95 2HG2 VAL 95 -4.892 2.000 -3.753 735 3HG2 VAL 95 3HG2 VAL 95 -6.307 1.131 -3.090 736 H LEU 96 H LEU 96 -2.151 0.275 -0.903 737 HA LEU 96 HA LEU 96 -2.201 -0.295 2.018 738 1HB LEU 96 1HB LEU 96 -0.192 -0.874 -0.200 739 2HB LEU 96 2HB LEU 96 0.206 -0.988 1.503 740 HG LEU 96 HG LEU 96 -2.004 -2.572 0.139 741 1HD1 LEU 96 1HD1 LEU 96 0.839 -3.323 0.941 742 2HD1 LEU 96 2HD1 LEU 96 -0.375 -4.495 0.393 743 3HD1 LEU 96 3HD1 LEU 96 0.177 -3.216 -0.702 744 1HD2 LEU 96 1HD2 LEU 96 -2.444 -2.346 2.550 745 2HD2 LEU 96 2HD2 LEU 96 -1.959 -3.997 2.164 746 3HD2 LEU 96 3HD2 LEU 96 -0.799 -2.870 2.904 747 H VAL 97 H VAL 97 -0.924 0.906 3.292 748 HA VAL 97 HA VAL 97 0.296 3.431 2.295 749 HB VAL 97 HB VAL 97 -1.029 4.638 3.985 750 1HG1 VAL 97 1HG1 VAL 97 -3.077 4.844 2.684 751 2HG1 VAL 97 2HG1 VAL 97 -1.718 4.572 1.577 752 3HG1 VAL 97 3HG1 VAL 97 -2.842 3.255 1.958 753 1HG2 VAL 97 1HG2 VAL 97 -2.769 2.132 4.194 754 2HG2 VAL 97 2HG2 VAL 97 -1.664 2.722 5.456 755 3HG2 VAL 97 3HG2 VAL 97 -3.053 3.692 4.977 756 HA PRO 98 HA PRO 98 3.019 2.534 5.708 757 1HB PRO 98 1HB PRO 98 3.453 5.253 6.528 758 2HB PRO 98 2HB PRO 98 4.514 4.224 5.551 759 1HG PRO 98 1HG PRO 98 3.076 6.504 4.577 760 2HG PRO 98 2HG PRO 98 3.914 5.246 3.612 761 1HD PRO 98 1HD PRO 98 1.019 5.539 4.269 762 2HD PRO 98 2HD PRO 98 1.804 4.841 2.828 763 H HIS 99 H HIS 99 2.406 1.968 7.746 764 HA HIS 99 HA HIS 99 0.176 3.391 9.094 765 1HB HIS 99 1HB HIS 99 0.038 0.901 9.197 766 2HB HIS 99 2HB HIS 99 1.602 0.833 9.943 767 HD1 HIS 99 1HD HIS 99 0.819 -0.024 12.343 768 HD2 HIS 99 2HD HIS 99 -1.144 3.455 10.982 769 HE1 HIS 99 1HE HIS 99 -0.603 0.839 14.265 770 H VAL 100 H VAL 100 0.785 4.928 10.512 771 HA VAL 100 HA VAL 100 3.464 4.810 11.763 772 HB VAL 100 HB VAL 100 3.607 7.270 11.553 773 1HG1 VAL 100 1HG1 VAL 100 3.460 5.800 8.904 774 2HG1 VAL 100 2HG1 VAL 100 4.411 7.258 9.265 775 3HG1 VAL 100 3HG1 VAL 100 4.808 5.715 10.053 776 1HG2 VAL 100 1HG2 VAL 100 1.247 7.849 11.124 777 2HG2 VAL 100 2HG2 VAL 100 2.290 8.415 9.810 778 3HG2 VAL 100 3HG2 VAL 100 1.297 6.968 9.575 779 H GLY 101 H GLY 101 1.095 3.696 12.847 780 1HA GLY 101 1HA GLY 101 0.006 3.648 14.840 781 2HA GLY 101 2HA GLY 101 1.290 4.702 15.394 782 H GLU 102 H GLU 102 -1.324 5.365 13.062 783 HA GLU 102 HA GLU 102 -2.332 7.630 14.753 784 1HB GLU 102 1HB GLU 102 -3.138 6.636 11.995 785 2HB GLU 102 2HB GLU 102 -3.906 7.970 12.836 786 1HG GLU 102 1HG GLU 102 -0.979 7.847 11.996 787 2HG GLU 102 2HG GLU 102 -2.240 8.710 11.144 788 H THR 103 H THR 103 -4.703 5.729 13.033 789 HA THR 103 HA THR 103 -5.511 4.283 15.461 790 HB THR 103 HB THR 103 -6.711 6.839 14.440 791 HG1 THR 103 1HG THR 103 -5.532 6.628 16.406 792 1HG2 THR 103 1HG2 THR 103 -8.611 5.449 14.067 793 2HG2 THR 103 2HG2 THR 103 -8.357 4.551 15.579 794 3HG2 THR 103 3HG2 THR 103 -8.853 6.269 15.601 795 HA PRO 104 HA PRO 104 -6.927 1.833 11.899 796 1HB PRO 104 1HB PRO 104 -7.054 -0.393 13.803 797 2HB PRO 104 2HB PRO 104 -6.106 -0.265 12.320 798 1HG PRO 104 1HG PRO 104 -5.000 -0.189 14.903 799 2HG PRO 104 2HG PRO 104 -4.227 0.547 13.464 800 1HD PRO 104 1HD PRO 104 -5.847 1.852 15.618 801 2HD PRO 104 2HD PRO 104 -4.395 2.447 14.762 802 H ILE 105 H ILE 105 -9.012 1.185 11.526 803 HA ILE 105 HA ILE 105 -10.978 1.362 13.756 804 HB ILE 105 HB ILE 105 -12.692 1.171 12.005 805 1HG1 ILE 105 1HG1 ILE 105 -11.012 0.192 10.216 806 2HG1 ILE 105 2HG1 ILE 105 -12.435 1.112 9.795 807 1HG2 ILE 105 1HG2 ILE 105 -12.076 3.285 13.017 808 2HG2 ILE 105 2HG2 ILE 105 -10.817 3.558 11.814 809 3HG2 ILE 105 3HG2 ILE 105 -12.523 3.520 11.318 810 1HD1 ILE 105 1HD1 ILE 105 -10.404 1.741 8.484 811 2HD1 ILE 105 2HD1 ILE 105 -11.176 3.078 9.318 812 3HD1 ILE 105 3HD1 ILE 105 -9.684 2.394 9.973 813 H ALA 106 H ALA 106 -9.352 -0.906 11.612 814 HA ALA 106 HA ALA 106 -10.310 -3.207 13.086 815 1HB ALA 106 1HB ALA 106 -12.194 -2.868 11.470 816 2HB ALA 106 2HB ALA 106 -11.041 -2.800 10.124 817 3HB ALA 106 3HB ALA 106 -11.273 -4.306 11.027 818 H TYR 107 H TYR 107 -9.347 -5.193 11.623 819 HA TYR 107 HA TYR 107 -6.772 -4.396 10.396 820 1HB TYR 107 1HB TYR 107 -7.254 -6.431 12.564 821 2HB TYR 107 2HB TYR 107 -6.103 -6.809 11.300 822 HD1 TYR 107 1HD TYR 107 -6.922 -3.820 13.504 823 HD2 TYR 107 2HD TYR 107 -3.874 -6.353 11.764 824 HE1 TYR 107 1HE TYR 107 -5.180 -2.451 14.556 825 HE2 TYR 107 2HE TYR 107 -2.124 -5.018 12.879 826 HH TYR 107 HH TYR 107 -1.682 -3.120 14.237 827 H ARG 108 H ARG 108 -6.136 -5.850 8.717 828 HA ARG 108 HA ARG 108 -8.338 -7.519 7.587 829 1HB ARG 108 1HB ARG 108 -8.157 -5.352 6.460 830 2HB ARG 108 2HB ARG 108 -6.494 -5.729 6.000 831 1HG ARG 108 1HG ARG 108 -7.803 -6.303 4.111 832 2HG ARG 108 2HG ARG 108 -7.507 -7.864 4.872 833 1HD ARG 108 1HD ARG 108 -9.753 -7.836 5.874 834 2HD ARG 108 2HD ARG 108 -9.985 -6.160 5.357 835 HE ARG 108 HE ARG 108 -9.488 -8.232 3.299 836 1HH1 ARG 108 2HH2 ARG 108 -11.770 -5.929 4.707 837 2HH1 ARG 108 1HH2 ARG 108 -12.819 -5.873 3.355 838 1HH2 ARG 108 2HH1 ARG 108 -10.702 -8.126 1.487 839 2HH2 ARG 108 1HH1 ARG 108 -12.136 -7.144 1.365 840 H ASN 109 H ASN 109 -7.552 -9.428 8.172 841 HA ASN 109 HA ASN 109 -4.866 -10.330 7.793 842 1HB ASN 109 1HB ASN 109 -5.893 -12.554 8.057 843 2HB ASN 109 2HB ASN 109 -6.335 -11.450 9.336 844 1HD2 ASN 109 1HD2 ASN 109 -7.867 -13.511 9.456 845 2HD2 ASN 109 2HD2 ASN 109 -9.365 -13.375 8.584 846 H VAL 110 H VAL 110 -3.961 -11.456 6.087 847 HA VAL 110 HA VAL 110 -5.475 -12.337 3.767 848 HB VAL 110 HB VAL 110 -3.873 -11.210 2.205 849 1HG1 VAL 110 1HG1 VAL 110 -4.960 -9.089 2.023 850 2HG1 VAL 110 2HG1 VAL 110 -6.157 -10.300 2.512 851 3HG1 VAL 110 3HG1 VAL 110 -5.511 -9.145 3.698 852 1HG2 VAL 110 1HG2 VAL 110 -3.092 -9.532 4.635 853 2HG2 VAL 110 2HG2 VAL 110 -2.054 -10.640 3.734 854 3HG2 VAL 110 3HG2 VAL 110 -2.652 -9.185 2.941 855 H LEU 111 H LEU 111 -3.689 -13.506 2.244 856 HA LEU 111 HA LEU 111 -1.280 -14.319 3.796 857 1HB LEU 111 1HB LEU 111 -2.897 -15.547 1.592 858 2HB LEU 111 2HB LEU 111 -1.217 -15.982 1.737 859 HG LEU 111 HG LEU 111 -2.766 -17.653 2.402 860 1HD1 LEU 111 1HD1 LEU 111 -1.776 -18.440 4.388 861 2HD1 LEU 111 2HD1 LEU 111 -0.530 -17.553 3.515 862 3HD1 LEU 111 3HD1 LEU 111 -1.353 -16.813 4.920 863 1HD2 LEU 111 1HD2 LEU 111 -4.609 -16.375 3.181 864 2HD2 LEU 111 2HD2 LEU 111 -4.132 -17.540 4.426 865 3HD2 LEU 111 3HD2 LEU 111 -3.704 -15.825 4.609 866 H LEU 112 H LEU 112 0.585 -14.308 2.552 867 HA LEU 112 HA LEU 112 0.848 -12.502 0.221 868 1HB LEU 112 1HB LEU 112 2.353 -12.823 2.731 869 2HB LEU 112 2HB LEU 112 3.319 -13.428 1.467 870 HG LEU 112 HG LEU 112 2.236 -10.602 1.612 871 1HD1 LEU 112 1HD1 LEU 112 5.104 -11.539 1.304 872 2HD1 LEU 112 2HD1 LEU 112 4.508 -9.975 1.884 873 3HD1 LEU 112 3HD1 LEU 112 4.344 -11.416 2.904 874 1HD2 LEU 112 1HD2 LEU 112 3.560 -10.155 -0.472 875 2HD2 LEU 112 2HD2 LEU 112 3.766 -11.905 -0.696 876 3HD2 LEU 112 3HD2 LEU 112 2.150 -11.149 -0.777 877 H ARG 113 H ARG 113 2.210 -13.321 -1.515 878 HA ARG 113 HA ARG 113 2.213 -16.198 -1.839 879 1HB ARG 113 1HB ARG 113 3.301 -13.905 -3.455 880 2HB ARG 113 2HB ARG 113 3.579 -15.603 -3.890 881 1HG ARG 113 1HG ARG 113 1.230 -16.078 -4.095 882 2HG ARG 113 2HG ARG 113 0.770 -14.592 -3.283 883 1HD ARG 113 1HD ARG 113 0.361 -13.869 -5.295 884 2HD ARG 113 2HD ARG 113 2.093 -13.462 -5.250 885 HE ARG 113 HE ARG 113 1.469 -16.111 -6.321 886 1HH1 ARG 113 2HH2 ARG 113 1.846 -12.619 -7.356 887 2HH1 ARG 113 1HH2 ARG 113 2.076 -13.066 -8.965 888 1HH2 ARG 113 2HH1 ARG 113 1.652 -16.516 -8.583 889 2HH2 ARG 113 1HH1 ARG 113 2.065 -15.215 -9.660 890 H LYS 114 H LYS 114 4.117 -17.530 -1.771 891 HA LYS 114 HA LYS 114 6.559 -16.341 -0.550 892 1HB LYS 114 1HB LYS 114 5.113 -18.880 0.270 893 2HB LYS 114 2HB LYS 114 6.865 -18.703 0.433 894 1HG LYS 114 1HG LYS 114 6.264 -16.407 1.615 895 2HG LYS 114 2HG LYS 114 4.697 -17.168 1.861 896 1HD LYS 114 1HD LYS 114 7.386 -18.394 2.613 897 2HD LYS 114 2HD LYS 114 6.411 -17.445 3.739 898 1HE LYS 114 1HE LYS 114 4.634 -19.047 3.743 899 2HE LYS 114 2HE LYS 114 5.324 -19.941 2.370 900 1HZ LYS 114 1HZ LYS 114 5.705 -20.933 4.592 901 2HZ LYS 114 2HZ LYS 114 7.099 -20.648 3.725 902 3HZ LYS 114 3HZ LYS 114 6.710 -19.654 4.936 903 H ASN 115 H ASN 115 8.303 -16.763 -1.620 904 HA ASN 115 HA ASN 115 8.230 -18.281 -4.142 905 1HB ASN 115 1HB ASN 115 10.433 -16.799 -2.640 906 2HB ASN 115 2HB ASN 115 10.721 -17.738 -4.114 907 1HD2 ASN 115 1HD2 ASN 115 10.365 -14.552 -3.206 908 2HD2 ASN 115 2HD2 ASN 115 9.603 -13.992 -4.681 909 H GLY 116 H GLY 116 10.052 -18.432 -1.033 910 1HA GLY 116 1HA GLY 116 10.144 -21.394 -1.240 911 2HA GLY 116 2HA GLY 116 11.585 -20.441 -0.836 Start of MODEL 10 1 1H GLY 1 H GLY 1 -2.475 -21.608 1.493 2 1HA GLY 1 1HA GLY 1 -0.112 -22.341 1.904 3 2HA GLY 1 2HA GLY 1 0.121 -22.097 0.160 4 H HIS 2 H HIS 2 1.671 -20.418 0.579 5 HA HIS 2 HA HIS 2 2.416 -18.226 0.784 6 1HB HIS 2 1HB HIS 2 -0.530 -17.752 0.237 7 2HB HIS 2 2HB HIS 2 0.607 -16.460 0.419 8 HD1 HIS 2 1HD HIS 2 1.983 -19.569 -1.428 9 HD2 HIS 2 2HD HIS 2 0.181 -15.842 -2.218 10 HE1 HIS 2 1HE HIS 2 2.466 -19.051 -3.833 11 H VAL 3 H VAL 3 2.064 -16.078 2.388 12 HA VAL 3 HA VAL 3 2.066 -17.423 5.019 13 HB VAL 3 HB VAL 3 3.436 -14.817 4.621 14 1HG1 VAL 3 1HG1 VAL 3 3.371 -16.037 6.773 15 2HG1 VAL 3 2HG1 VAL 3 4.287 -17.359 6.006 16 3HG1 VAL 3 3HG1 VAL 3 5.007 -15.751 6.176 17 1HG2 VAL 3 1HG2 VAL 3 4.311 -15.690 2.627 18 2HG2 VAL 3 2HG2 VAL 3 5.544 -16.037 3.838 19 3HG2 VAL 3 3HG2 VAL 3 4.444 -17.345 3.293 20 H GLN 4 H GLN 4 0.398 -16.850 6.325 21 HA GLN 4 HA GLN 4 -1.338 -14.694 5.460 22 1HB GLN 4 1HB GLN 4 -1.936 -16.964 6.724 23 2HB GLN 4 2HB GLN 4 -1.667 -15.966 8.164 24 1HG GLN 4 1HG GLN 4 -3.190 -14.227 7.149 25 2HG GLN 4 2HG GLN 4 -3.438 -15.329 5.779 26 1HE2 GLN 4 1HE2 GLN 4 -4.688 -14.386 8.863 27 2HE2 GLN 4 2HE2 GLN 4 -5.645 -15.810 9.170 28 H LEU 5 H LEU 5 -1.296 -12.632 6.054 29 HA LEU 5 HA LEU 5 0.140 -11.885 8.510 30 1HB LEU 5 1HB LEU 5 0.410 -10.497 5.824 31 2HB LEU 5 2HB LEU 5 0.965 -9.820 7.345 32 HG LEU 5 HG LEU 5 2.012 -12.420 6.118 33 1HD1 LEU 5 1HD1 LEU 5 4.005 -11.150 5.537 34 2HD1 LEU 5 2HD1 LEU 5 2.561 -10.477 4.769 35 3HD1 LEU 5 3HD1 LEU 5 3.271 -9.655 6.188 36 1HD2 LEU 5 1HD2 LEU 5 2.286 -12.346 8.606 37 2HD2 LEU 5 2HD2 LEU 5 3.830 -12.242 7.774 38 3HD2 LEU 5 3HD2 LEU 5 3.087 -10.771 8.464 39 H SER 6 H SER 6 -0.717 -9.895 9.477 40 HA SER 6 HA SER 6 -3.460 -9.225 8.569 41 1HB SER 6 1HB SER 6 -2.756 -9.177 11.459 42 2HB SER 6 2HB SER 6 -4.244 -9.664 10.657 43 HG SER 6 HG SER 6 -1.834 -11.125 10.994 44 H LEU 7 H LEU 7 -4.020 -7.024 8.816 45 HA LEU 7 HA LEU 7 -1.786 -5.171 9.530 46 1HB LEU 7 1HB LEU 7 -3.474 -5.282 6.996 47 2HB LEU 7 2HB LEU 7 -2.430 -3.942 7.392 48 HG LEU 7 HG LEU 7 -1.449 -6.807 6.956 49 1HD1 LEU 7 1HD1 LEU 7 -1.359 -4.340 5.197 50 2HD1 LEU 7 2HD1 LEU 7 -0.579 -5.908 4.843 51 3HD1 LEU 7 3HD1 LEU 7 -2.359 -5.793 4.940 52 1HD2 LEU 7 1HD2 LEU 7 0.110 -5.664 8.428 53 2HD2 LEU 7 2HD2 LEU 7 0.802 -5.618 6.816 54 3HD2 LEU 7 3HD2 LEU 7 0.022 -4.171 7.480 55 HA PRO 8 HA PRO 8 -5.187 -2.751 11.140 56 1HB PRO 8 1HB PRO 8 -4.177 -0.251 11.170 57 2HB PRO 8 2HB PRO 8 -3.508 -1.526 12.209 58 1HG PRO 8 1HG PRO 8 -2.473 -0.501 9.552 59 2HG PRO 8 2HG PRO 8 -1.547 -0.813 11.053 60 1HD PRO 8 1HD PRO 8 -1.782 -2.615 8.956 61 2HD PRO 8 2HD PRO 8 -1.455 -3.077 10.625 62 H VAL 9 H VAL 9 -6.769 -1.165 10.402 63 HA VAL 9 HA VAL 9 -6.639 -0.407 7.537 64 HB VAL 9 HB VAL 9 -9.186 -1.002 9.117 65 1HG1 VAL 9 1HG1 VAL 9 -9.412 0.555 7.189 66 2HG1 VAL 9 2HG1 VAL 9 -8.673 -0.666 6.130 67 3HG1 VAL 9 3HG1 VAL 9 -10.243 -0.983 6.907 68 1HG2 VAL 9 1HG2 VAL 9 -7.750 -2.785 7.101 69 2HG2 VAL 9 2HG2 VAL 9 -7.980 -3.135 8.821 70 3HG2 VAL 9 3HG2 VAL 9 -9.389 -3.070 7.755 71 H LEU 10 H LEU 10 -6.207 1.691 7.547 72 HA LEU 10 HA LEU 10 -7.018 3.491 9.787 73 1HB LEU 10 1HB LEU 10 -5.068 4.010 7.525 74 2HB LEU 10 2HB LEU 10 -5.251 4.947 8.982 75 HG LEU 10 HG LEU 10 -4.189 2.078 8.977 76 1HD1 LEU 10 1HD1 LEU 10 -2.682 3.345 7.585 77 2HD1 LEU 10 2HD1 LEU 10 -2.606 4.657 8.767 78 3HD1 LEU 10 3HD1 LEU 10 -1.927 3.053 9.150 79 1HD2 LEU 10 1HD2 LEU 10 -5.053 2.900 11.107 80 2HD2 LEU 10 2HD2 LEU 10 -3.314 2.629 11.170 81 3HD2 LEU 10 3HD2 LEU 10 -3.963 4.290 11.043 82 H GLN 11 H GLN 11 -8.197 5.466 9.110 83 HA GLN 11 HA GLN 11 -9.813 5.136 6.736 84 1HB GLN 11 1HB GLN 11 -9.332 7.550 8.545 85 2HB GLN 11 2HB GLN 11 -10.407 7.549 7.145 86 1HG GLN 11 1HG GLN 11 -11.467 5.478 8.231 87 2HG GLN 11 2HG GLN 11 -10.775 6.097 9.740 88 1HE2 GLN 11 1HE2 GLN 11 -13.355 6.176 7.650 89 2HE2 GLN 11 2HE2 GLN 11 -14.101 7.676 8.098 90 H VAL 12 H VAL 12 -9.832 6.476 4.838 91 HA VAL 12 HA VAL 12 -7.317 6.838 3.631 92 HB VAL 12 HB VAL 12 -9.353 6.329 2.413 93 1HG1 VAL 12 1HG1 VAL 12 -11.122 7.964 1.968 94 2HG1 VAL 12 2HG1 VAL 12 -11.048 7.610 3.695 95 3HG1 VAL 12 3HG1 VAL 12 -10.365 9.135 3.075 96 1HG2 VAL 12 1HG2 VAL 12 -8.952 7.724 0.505 97 2HG2 VAL 12 2HG2 VAL 12 -8.355 9.064 1.517 98 3HG2 VAL 12 3HG2 VAL 12 -7.438 7.557 1.404 99 H ARG 13 H ARG 13 -9.298 8.964 5.587 100 HA ARG 13 HA ARG 13 -8.055 11.406 4.737 101 1HB ARG 13 1HB ARG 13 -9.066 12.311 6.902 102 2HB ARG 13 2HB ARG 13 -10.210 11.628 5.751 103 1HG ARG 13 1HG ARG 13 -10.693 9.782 7.081 104 2HG ARG 13 2HG ARG 13 -9.132 9.785 7.891 105 1HD ARG 13 1HD ARG 13 -10.741 10.413 9.488 106 2HD ARG 13 2HD ARG 13 -9.735 11.812 9.122 107 HE ARG 13 HE ARG 13 -12.182 11.580 7.519 108 1HH1 ARG 13 2HH2 ARG 13 -10.655 13.153 10.276 109 2HH1 ARG 13 1HH2 ARG 13 -11.934 14.273 10.532 110 1HH2 ARG 13 2HH1 ARG 13 -13.669 13.117 7.673 111 2HH2 ARG 13 1HH1 ARG 13 -13.791 14.235 9.011 112 H ASP 14 H ASP 14 -7.253 8.975 7.125 113 HA ASP 14 HA ASP 14 -5.843 10.786 8.914 114 1HB ASP 14 1HB ASP 14 -6.811 7.938 8.798 115 2HB ASP 14 2HB ASP 14 -5.372 8.196 9.751 116 H VAL 15 H VAL 15 -5.163 8.513 6.521 117 HA VAL 15 HA VAL 15 -2.531 7.716 6.872 118 HB VAL 15 HB VAL 15 -4.555 7.808 4.610 119 1HG1 VAL 15 1HG1 VAL 15 -3.222 5.992 3.555 120 2HG1 VAL 15 2HG1 VAL 15 -2.521 7.598 3.410 121 3HG1 VAL 15 3HG1 VAL 15 -1.865 6.466 4.628 122 1HG2 VAL 15 1HG2 VAL 15 -4.898 5.469 5.197 123 2HG2 VAL 15 2HG2 VAL 15 -3.429 5.436 6.195 124 3HG2 VAL 15 3HG2 VAL 15 -4.839 6.319 6.738 125 H LEU 16 H LEU 16 -1.740 9.803 7.548 126 HA LEU 16 HA LEU 16 -1.322 12.058 5.979 127 1HB LEU 16 1HB LEU 16 0.067 10.702 8.315 128 2HB LEU 16 2HB LEU 16 0.862 12.089 7.578 129 HG LEU 16 HG LEU 16 -2.048 12.185 8.496 130 1HD1 LEU 16 1HD1 LEU 16 0.453 13.012 10.041 131 2HD1 LEU 16 2HD1 LEU 16 -1.214 13.299 10.531 132 3HD1 LEU 16 3HD1 LEU 16 -0.636 11.646 10.424 133 1HD2 LEU 16 1HD2 LEU 16 -1.681 14.626 8.466 134 2HD2 LEU 16 2HD2 LEU 16 -0.007 14.380 7.936 135 3HD2 LEU 16 3HD2 LEU 16 -1.340 13.945 6.871 136 H VAL 17 H VAL 17 0.178 9.046 5.351 137 HA VAL 17 HA VAL 17 1.578 10.394 3.124 138 HB VAL 17 HB VAL 17 2.776 8.134 4.784 139 1HG1 VAL 17 1HG1 VAL 17 4.710 8.344 3.196 140 2HG1 VAL 17 2HG1 VAL 17 3.263 7.693 2.443 141 3HG1 VAL 17 3HG1 VAL 17 3.729 9.397 2.161 142 1HG2 VAL 17 1HG2 VAL 17 3.659 11.010 4.221 143 2HG2 VAL 17 2HG2 VAL 17 3.142 10.344 5.794 144 3HG2 VAL 17 3HG2 VAL 17 4.642 9.800 5.056 145 H ARG 18 H ARG 18 0.033 9.980 1.647 146 HA ARG 18 HA ARG 18 -1.340 7.385 1.638 147 1HB ARG 18 1HB ARG 18 -1.759 9.509 -0.413 148 2HB ARG 18 2HB ARG 18 -2.879 8.377 0.210 149 1HG ARG 18 1HG ARG 18 -2.007 10.399 2.188 150 2HG ARG 18 2HG ARG 18 -2.695 11.057 0.716 151 1HD ARG 18 1HD ARG 18 -4.638 9.378 1.093 152 2HD ARG 18 2HD ARG 18 -4.018 9.261 2.722 153 HE ARG 18 HE ARG 18 -5.183 11.541 1.278 154 1HH1 ARG 18 2HH2 ARG 18 -3.775 10.577 4.367 155 2HH1 ARG 18 1HH2 ARG 18 -4.651 11.802 5.278 156 1HH2 ARG 18 2HH1 ARG 18 -5.480 13.499 2.289 157 2HH2 ARG 18 1HH1 ARG 18 -5.232 13.690 4.011 158 H GLY 19 H GLY 19 1.663 7.778 0.665 159 1HA GLY 19 1HA GLY 19 1.508 6.025 -1.578 160 2HA GLY 19 2HA GLY 19 2.068 7.663 -1.982 161 H PHE 20 H PHE 20 3.055 4.670 -0.664 162 HA PHE 20 HA PHE 20 4.932 5.139 1.323 163 1HB PHE 20 1HB PHE 20 5.103 3.358 -1.033 164 2HB PHE 20 2HB PHE 20 6.319 3.428 0.255 165 HD1 PHE 20 1HD PHE 20 5.607 2.768 2.636 166 HD2 PHE 20 2HD PHE 20 3.289 1.893 -0.883 167 HE1 PHE 20 1HE PHE 20 4.358 1.035 3.894 168 HE2 PHE 20 2HE PHE 20 2.095 0.092 0.355 169 HZ PHE 20 HZ PHE 20 2.596 -0.271 2.769 170 H GLY 21 H GLY 21 5.413 5.841 -2.134 171 1HA GLY 21 1HA GLY 21 7.297 7.894 -1.590 172 2HA GLY 21 2HA GLY 21 8.047 6.549 -2.443 173 H ASP 22 H ASP 22 8.014 8.792 -3.852 174 HA ASP 22 HA ASP 22 5.376 9.282 -4.883 175 1HB ASP 22 1HB ASP 22 7.219 10.890 -3.986 176 2HB ASP 22 2HB ASP 22 7.884 10.811 -5.649 177 H SER 23 H SER 23 6.611 6.821 -5.868 178 HA SER 23 HA SER 23 5.594 7.166 -8.507 179 1HB SER 23 1HB SER 23 8.538 6.465 -8.205 180 2HB SER 23 2HB SER 23 7.602 5.892 -9.567 181 HG SER 23 HG SER 23 7.388 8.562 -8.867 182 H VAL 24 H VAL 24 5.165 5.067 -9.508 183 HA VAL 24 HA VAL 24 4.068 3.113 -7.932 184 HB VAL 24 HB VAL 24 4.689 1.714 -10.161 185 1HG1 VAL 24 1HG1 VAL 24 2.660 3.952 -9.884 186 2HG1 VAL 24 2HG1 VAL 24 2.646 2.715 -11.200 187 3HG1 VAL 24 3HG1 VAL 24 2.463 2.239 -9.518 188 1HG2 VAL 24 1HG2 VAL 24 4.825 3.065 -12.121 189 2HG2 VAL 24 2HG2 VAL 24 4.792 4.575 -11.204 190 3HG2 VAL 24 3HG2 VAL 24 6.205 3.495 -11.108 191 H GLU 25 H GLU 25 7.248 2.986 -9.511 192 HA GLU 25 HA GLU 25 7.917 0.382 -8.526 193 1HB GLU 25 1HB GLU 25 9.242 2.714 -9.959 194 2HB GLU 25 2HB GLU 25 10.275 1.452 -9.335 195 1HG GLU 25 1HG GLU 25 7.887 0.420 -10.772 196 2HG GLU 25 2HG GLU 25 8.900 1.415 -11.761 197 H GLU 26 H GLU 26 8.353 3.624 -7.165 198 HA GLU 26 HA GLU 26 10.167 2.928 -5.018 199 1HB GLU 26 1HB GLU 26 8.048 5.112 -5.120 200 2HB GLU 26 2HB GLU 26 9.322 4.933 -3.926 201 1HG GLU 26 1HG GLU 26 9.777 5.380 -6.893 202 2HG GLU 26 2HG GLU 26 9.857 6.596 -5.630 203 H ALA 27 H ALA 27 6.690 3.569 -5.156 204 HA ALA 27 HA ALA 27 6.187 2.797 -2.555 205 1HB ALA 27 1HB ALA 27 3.853 3.204 -3.132 206 2HB ALA 27 2HB ALA 27 4.824 4.357 -3.995 207 3HB ALA 27 3HB ALA 27 4.191 2.970 -4.846 208 H LEU 28 H LEU 28 5.875 0.779 -5.518 209 HA LEU 28 HA LEU 28 4.743 -1.490 -4.325 210 1HB LEU 28 1HB LEU 28 5.601 -0.818 -6.825 211 2HB LEU 28 2HB LEU 28 6.963 -1.837 -6.370 212 HG LEU 28 HG LEU 28 3.992 -2.538 -6.323 213 1HD1 LEU 28 1HD1 LEU 28 6.193 -3.564 -8.169 214 2HD1 LEU 28 2HD1 LEU 28 4.460 -3.931 -8.268 215 3HD1 LEU 28 3HD1 LEU 28 5.052 -2.301 -8.606 216 1HD2 LEU 28 1HD2 LEU 28 4.792 -4.925 -6.135 217 2HD2 LEU 28 2HD2 LEU 28 6.421 -4.279 -5.795 218 3HD2 LEU 28 3HD2 LEU 28 5.064 -3.939 -4.693 219 H SER 29 H SER 29 8.186 -0.448 -4.453 220 HA SER 29 HA SER 29 9.224 -2.889 -3.363 221 1HB SER 29 1HB SER 29 10.420 -0.978 -4.721 222 2HB SER 29 2HB SER 29 10.610 -0.207 -3.106 223 HG SER 29 HG SER 29 11.725 -2.019 -2.394 224 H GLU 30 H GLU 30 8.660 0.402 -2.043 225 HA GLU 30 HA GLU 30 9.454 -0.212 0.597 226 1HB GLU 30 1HB GLU 30 7.350 1.746 -0.364 227 2HB GLU 30 2HB GLU 30 8.120 1.824 1.175 228 1HG GLU 30 1HG GLU 30 10.308 1.984 -0.434 229 2HG GLU 30 2HG GLU 30 9.000 2.603 -1.511 230 H ALA 31 H ALA 31 6.270 -0.589 -1.022 231 HA ALA 31 HA ALA 31 4.723 -1.429 1.234 232 1HB ALA 31 1HB ALA 31 4.557 -2.475 -1.567 233 2HB ALA 31 2HB ALA 31 3.298 -2.405 -0.269 234 3HB ALA 31 3HB ALA 31 3.895 -0.919 -1.028 235 H ARG 32 H ARG 32 6.792 -3.491 -0.922 236 HA ARG 32 HA ARG 32 6.279 -5.840 0.677 237 1HB ARG 32 1HB ARG 32 8.750 -5.248 -1.028 238 2HB ARG 32 2HB ARG 32 8.355 -6.786 -0.308 239 1HG ARG 32 1HG ARG 32 7.260 -7.394 -2.134 240 2HG ARG 32 2HG ARG 32 6.042 -6.169 -1.744 241 1HD ARG 32 1HD ARG 32 6.541 -5.229 -3.707 242 2HD ARG 32 2HD ARG 32 7.986 -4.610 -2.927 243 HE ARG 32 HE ARG 32 9.329 -6.123 -3.989 244 1HH1 ARG 32 2HH2 ARG 32 5.988 -6.563 -4.945 245 2HH1 ARG 32 1HH2 ARG 32 6.253 -7.375 -6.425 246 1HH2 ARG 32 2HH1 ARG 32 9.838 -7.322 -5.841 247 2HH2 ARG 32 1HH1 ARG 32 8.656 -7.766 -7.017 248 H GLU 33 H GLU 33 8.442 -3.146 1.150 249 HA GLU 33 HA GLU 33 10.059 -4.575 3.047 250 1HB GLU 33 1HB GLU 33 11.529 -2.990 2.325 251 2HB GLU 33 2HB GLU 33 10.269 -2.341 1.369 252 1HG GLU 33 1HG GLU 33 9.629 -0.799 3.124 253 2HG GLU 33 2HG GLU 33 10.981 -1.379 4.126 254 H HIS 34 H HIS 34 7.428 -2.127 3.235 255 HA HIS 34 HA HIS 34 7.712 -1.664 6.092 256 1HB HIS 34 1HB HIS 34 5.711 -0.837 3.963 257 2HB HIS 34 2HB HIS 34 5.446 -0.515 5.686 258 HD1 HIS 34 1HD HIS 34 8.185 0.282 3.086 259 HD2 HIS 34 2HD HIS 34 6.382 1.778 6.577 260 HE1 HIS 34 1HE HIS 34 9.432 2.434 3.661 261 H LEU 35 H LEU 35 5.907 -3.718 3.885 262 HA LEU 35 HA LEU 35 3.979 -4.761 5.599 263 1HB LEU 35 1HB LEU 35 5.599 -5.936 3.317 264 2HB LEU 35 2HB LEU 35 4.491 -6.964 4.214 265 HG LEU 35 HG LEU 35 3.543 -4.343 3.033 266 1HD1 LEU 35 1HD1 LEU 35 4.333 -6.743 1.556 267 2HD1 LEU 35 2HD1 LEU 35 2.611 -6.445 1.391 268 3HD1 LEU 35 3HD1 LEU 35 3.770 -5.165 0.958 269 1HD2 LEU 35 1HD2 LEU 35 1.442 -5.050 3.349 270 2HD2 LEU 35 2HD2 LEU 35 1.860 -6.782 3.487 271 3HD2 LEU 35 3HD2 LEU 35 2.248 -5.673 4.794 272 H LYS 36 H LYS 36 7.349 -5.873 4.972 273 HA LYS 36 HA LYS 36 7.489 -7.948 6.896 274 1HB LYS 36 1HB LYS 36 8.964 -7.469 4.857 275 2HB LYS 36 2HB LYS 36 9.790 -6.260 5.833 276 1HG LYS 36 1HG LYS 36 9.480 -9.162 6.633 277 2HG LYS 36 2HG LYS 36 10.827 -8.604 5.648 278 1HD LYS 36 1HD LYS 36 10.296 -7.610 8.473 279 2HD LYS 36 2HD LYS 36 11.366 -8.897 8.058 280 1HE LYS 36 1HE LYS 36 11.790 -6.292 6.624 281 2HE LYS 36 2HE LYS 36 12.118 -6.321 8.356 282 1HZ LYS 36 1HZ LYS 36 14.111 -6.852 7.229 283 2HZ LYS 36 2HZ LYS 36 13.613 -8.185 8.008 284 3HZ LYS 36 3HZ LYS 36 13.471 -8.086 6.381 285 H ASN 37 H ASN 37 8.503 -4.533 6.989 286 HA ASN 37 HA ASN 37 9.511 -4.601 9.638 287 1HB ASN 37 1HB ASN 37 8.428 -2.247 8.058 288 2HB ASN 37 2HB ASN 37 9.449 -2.145 9.486 289 1HD2 ASN 37 1HD2 ASN 37 9.994 -1.063 6.782 290 2HD2 ASN 37 2HD2 ASN 37 11.536 -1.744 6.354 291 H GLY 38 H GLY 38 6.199 -4.668 8.645 292 1HA GLY 38 1HA GLY 38 4.371 -5.037 10.070 293 2HA GLY 38 2HA GLY 38 5.331 -4.503 11.459 294 H THR 39 H THR 39 5.533 -2.285 8.835 295 HA THR 39 HA THR 39 3.806 -0.395 10.373 296 HB THR 39 HB THR 39 5.946 0.155 11.051 297 HG1 THR 39 1HG THR 39 4.741 1.979 10.117 298 1HG2 THR 39 1HG2 THR 39 7.406 -1.028 9.692 299 2HG2 THR 39 2HG2 THR 39 6.811 -0.274 8.185 300 3HG2 THR 39 3HG2 THR 39 7.798 0.650 9.318 301 H CYS 40 H CYS 40 2.579 -1.802 8.480 302 HA CYS 40 HA CYS 40 2.287 0.226 6.362 303 1HB CYS 40 1HB CYS 40 2.536 -1.255 4.685 304 2HB CYS 40 2HB CYS 40 3.546 -2.099 5.793 305 HG CYS 40 HG CYS 40 0.336 -2.541 5.313 306 H GLY 41 H GLY 41 -0.021 0.287 5.635 307 1HA GLY 41 1HA GLY 41 -1.842 -1.274 7.301 308 2HA GLY 41 2HA GLY 41 -2.074 0.446 7.284 309 H LEU 42 H LEU 42 -4.129 -1.096 6.425 310 HA LEU 42 HA LEU 42 -4.083 -1.337 3.445 311 1HB LEU 42 1HB LEU 42 -4.687 -3.401 4.771 312 2HB LEU 42 2HB LEU 42 -5.968 -2.468 5.580 313 HG LEU 42 HG LEU 42 -7.038 -2.114 3.272 314 1HD1 LEU 42 1HD1 LEU 42 -6.411 -3.774 1.517 315 2HD1 LEU 42 2HD1 LEU 42 -5.108 -2.626 1.836 316 3HD1 LEU 42 3HD1 LEU 42 -5.013 -4.262 2.504 317 1HD2 LEU 42 1HD2 LEU 42 -8.106 -4.294 3.237 318 2HD2 LEU 42 2HD2 LEU 42 -6.786 -5.004 4.210 319 3HD2 LEU 42 3HD2 LEU 42 -7.870 -3.788 4.912 320 H VAL 43 H VAL 43 -5.187 0.142 2.321 321 HA VAL 43 HA VAL 43 -7.209 1.845 3.675 322 HB VAL 43 HB VAL 43 -5.330 2.305 1.333 323 1HG1 VAL 43 1HG1 VAL 43 -6.463 4.532 1.031 324 2HG1 VAL 43 2HG1 VAL 43 -7.510 3.180 0.563 325 3HG1 VAL 43 3HG1 VAL 43 -7.771 4.007 2.115 326 1HG2 VAL 43 1HG2 VAL 43 -5.947 3.919 3.863 327 2HG2 VAL 43 2HG2 VAL 43 -4.571 2.822 3.651 328 3HG2 VAL 43 3HG2 VAL 43 -4.686 4.284 2.658 329 H GLU 44 H GLU 44 -9.202 1.783 3.010 330 HA GLU 44 HA GLU 44 -10.043 -0.543 1.498 331 1HB GLU 44 1HB GLU 44 -11.532 1.766 2.856 332 2HB GLU 44 2HB GLU 44 -12.288 0.283 2.242 333 1HG GLU 44 1HG GLU 44 -11.214 -1.083 3.858 334 2HG GLU 44 2HG GLU 44 -10.029 0.137 4.291 335 H LEU 45 H LEU 45 -10.914 -0.519 -0.573 336 HA LEU 45 HA LEU 45 -10.755 1.990 -2.073 337 1HB LEU 45 1HB LEU 45 -11.391 -0.863 -2.825 338 2HB LEU 45 2HB LEU 45 -11.719 0.474 -3.957 339 HG LEU 45 HG LEU 45 -8.988 0.202 -2.620 340 1HD1 LEU 45 1HD1 LEU 45 -8.199 -0.982 -4.617 341 2HD1 LEU 45 2HD1 LEU 45 -9.420 -1.921 -3.742 342 3HD1 LEU 45 3HD1 LEU 45 -9.868 -1.086 -5.230 343 1HD2 LEU 45 1HD2 LEU 45 -9.743 1.442 -5.303 344 2HD2 LEU 45 2HD2 LEU 45 -9.607 2.374 -3.806 345 3HD2 LEU 45 3HD2 LEU 45 -8.205 1.544 -4.422 346 H GLU 46 H GLU 46 -12.316 3.435 -2.161 347 HA GLU 46 HA GLU 46 -15.119 2.601 -2.370 348 1HB GLU 46 1HB GLU 46 -14.352 5.055 -0.751 349 2HB GLU 46 2HB GLU 46 -15.921 4.363 -0.985 350 1HG GLU 46 1HG GLU 46 -15.079 2.309 0.307 351 2HG GLU 46 2HG GLU 46 -13.675 3.305 0.749 352 H LYS 47 H LYS 47 -16.336 4.596 -3.281 353 HA LYS 47 HA LYS 47 -15.242 5.192 -5.712 354 1HB LYS 47 1HB LYS 47 -17.646 5.444 -5.004 355 2HB LYS 47 2HB LYS 47 -17.262 7.061 -4.359 356 1HG LYS 47 1HG LYS 47 -16.747 7.916 -6.524 357 2HG LYS 47 2HG LYS 47 -16.448 6.310 -7.189 358 1HD LYS 47 1HD LYS 47 -18.920 5.816 -6.811 359 2HD LYS 47 2HD LYS 47 -19.133 7.566 -6.602 360 1HE LYS 47 1HE LYS 47 -18.236 7.992 -8.822 361 2HE LYS 47 2HE LYS 47 -17.667 6.311 -8.965 362 1HZ LYS 47 1HZ LYS 47 -20.491 7.134 -8.880 363 2HZ LYS 47 2HZ LYS 47 -19.685 6.678 -10.203 364 3HZ LYS 47 3HZ LYS 47 -19.952 5.575 -8.996 365 H GLY 48 H GLY 48 -15.434 7.635 -3.056 366 1HA GLY 48 1HA GLY 48 -13.609 9.431 -4.474 367 2HA GLY 48 2HA GLY 48 -14.474 9.715 -2.968 368 H VAL 49 H VAL 49 -12.244 6.970 -3.773 369 HA VAL 49 HA VAL 49 -10.541 7.898 -1.502 370 HB VAL 49 HB VAL 49 -11.050 5.185 -2.706 371 1HG1 VAL 49 1HG1 VAL 49 -9.414 4.180 -1.224 372 2HG1 VAL 49 2HG1 VAL 49 -8.612 5.349 -2.275 373 3HG1 VAL 49 3HG1 VAL 49 -8.940 5.760 -0.582 374 1HG2 VAL 49 1HG2 VAL 49 -11.785 4.664 -0.392 375 2HG2 VAL 49 2HG2 VAL 49 -11.182 6.222 0.188 376 3HG2 VAL 49 3HG2 VAL 49 -12.572 6.185 -0.897 377 H LEU 50 H LEU 50 -10.083 6.411 -4.780 378 HA LEU 50 HA LEU 50 -7.385 6.799 -5.069 379 1HB LEU 50 1HB LEU 50 -9.713 7.146 -6.962 380 2HB LEU 50 2HB LEU 50 -8.063 7.475 -7.517 381 HG LEU 50 HG LEU 50 -9.441 4.919 -7.066 382 1HD1 LEU 50 1HD1 LEU 50 -8.114 4.193 -8.953 383 2HD1 LEU 50 2HD1 LEU 50 -8.796 5.801 -9.285 384 3HD1 LEU 50 3HD1 LEU 50 -7.092 5.648 -8.832 385 1HD2 LEU 50 1HD2 LEU 50 -7.440 3.577 -6.680 386 2HD2 LEU 50 2HD2 LEU 50 -6.517 5.057 -6.338 387 3HD2 LEU 50 3HD2 LEU 50 -7.862 4.561 -5.290 388 HA PRO 51 HA PRO 51 -7.450 11.313 -6.279 389 1HB PRO 51 1HB PRO 51 -9.587 12.966 -6.162 390 2HB PRO 51 2HB PRO 51 -9.375 11.778 -7.476 391 1HG PRO 51 1HG PRO 51 -11.116 11.551 -5.016 392 2HG PRO 51 2HG PRO 51 -11.500 11.103 -6.706 393 1HD PRO 51 1HD PRO 51 -10.620 9.377 -4.731 394 2HD PRO 51 2HD PRO 51 -10.506 9.030 -6.468 395 H GLN 52 H GLN 52 -8.425 10.140 -3.306 396 HA GLN 52 HA GLN 52 -7.587 12.556 -1.796 397 1HB GLN 52 1HB GLN 52 -9.051 10.083 -0.821 398 2HB GLN 52 2HB GLN 52 -8.533 11.450 0.174 399 1HG GLN 52 1HG GLN 52 -9.994 12.943 -1.225 400 2HG GLN 52 2HG GLN 52 -10.658 11.514 -2.024 401 1HE2 GLN 52 1HE2 GLN 52 -10.966 9.765 0.196 402 2HE2 GLN 52 2HE2 GLN 52 -12.017 10.492 1.399 403 H LEU 53 H LEU 53 -6.370 9.696 -3.154 404 HA LEU 53 HA LEU 53 -4.285 9.336 -1.039 405 1HB LEU 53 1HB LEU 53 -5.062 7.859 -3.552 406 2HB LEU 53 2HB LEU 53 -3.506 7.602 -2.805 407 HG LEU 53 HG LEU 53 -5.714 6.092 -2.374 408 1HD1 LEU 53 1HD1 LEU 53 -3.695 6.508 -0.154 409 2HD1 LEU 53 2HD1 LEU 53 -4.651 5.071 -0.482 410 3HD1 LEU 53 3HD1 LEU 53 -3.382 5.547 -1.622 411 1HD2 LEU 53 1HD2 LEU 53 -6.981 7.777 -1.175 412 2HD2 LEU 53 2HD2 LEU 53 -6.621 6.349 -0.234 413 3HD2 LEU 53 3HD2 LEU 53 -5.713 7.854 0.055 414 H GLU 54 H GLU 54 -2.017 9.082 -2.424 415 HA GLU 54 HA GLU 54 -1.519 11.751 -3.599 416 1HB GLU 54 1HB GLU 54 0.265 9.363 -3.050 417 2HB GLU 54 2HB GLU 54 0.794 10.850 -3.890 418 1HG GLU 54 1HG GLU 54 -0.110 10.621 -0.982 419 2HG GLU 54 2HG GLU 54 1.509 10.805 -1.581 420 H GLN 55 H GLN 55 -0.240 8.756 -4.840 421 HA GLN 55 HA GLN 55 -1.787 8.888 -7.321 422 1HB GLN 55 1HB GLN 55 0.728 10.318 -7.015 423 2HB GLN 55 2HB GLN 55 0.795 9.103 -8.309 424 1HG GLN 55 1HG GLN 55 -1.663 10.561 -8.615 425 2HG GLN 55 2HG GLN 55 -0.398 11.733 -8.308 426 1HE2 GLN 55 1HE2 GLN 55 -1.108 8.801 -10.328 427 2HE2 GLN 55 2HE2 GLN 55 -0.326 9.445 -11.754 428 HA PRO 56 HA PRO 56 0.833 5.210 -7.894 429 1HB PRO 56 1HB PRO 56 2.996 4.406 -6.429 430 2HB PRO 56 2HB PRO 56 3.019 5.497 -7.831 431 1HG PRO 56 1HG PRO 56 3.148 6.238 -4.923 432 2HG PRO 56 2HG PRO 56 4.064 6.889 -6.295 433 1HD PRO 56 1HD PRO 56 1.871 8.182 -5.342 434 2HD PRO 56 2HD PRO 56 2.383 8.209 -7.071 435 H TYR 57 H TYR 57 -1.152 4.649 -7.196 436 HA TYR 57 HA TYR 57 -1.821 3.743 -4.540 437 1HB TYR 57 1HB TYR 57 -3.266 3.024 -7.091 438 2HB TYR 57 2HB TYR 57 -3.941 3.143 -5.472 439 HD1 TYR 57 1HD TYR 57 -3.044 5.851 -4.565 440 HD2 TYR 57 2HD TYR 57 -4.358 4.477 -8.415 441 HE1 TYR 57 1HE TYR 57 -3.646 8.195 -5.207 442 HE2 TYR 57 2HE TYR 57 -4.973 6.825 -9.052 443 HH TYR 57 HH TYR 57 -4.219 9.588 -6.922 444 H VAL 58 H VAL 58 -0.452 2.157 -3.884 445 HA VAL 58 HA VAL 58 0.180 -0.121 -5.534 446 HB VAL 58 HB VAL 58 0.739 0.127 -2.561 447 1HG1 VAL 58 1HG1 VAL 58 2.589 -1.351 -3.033 448 2HG1 VAL 58 2HG1 VAL 58 1.162 -2.060 -3.830 449 3HG1 VAL 58 3HG1 VAL 58 2.356 -1.189 -4.785 450 1HG2 VAL 58 1HG2 VAL 58 1.622 2.175 -3.587 451 2HG2 VAL 58 2HG2 VAL 58 2.923 1.066 -3.162 452 3HG2 VAL 58 3HG2 VAL 58 2.413 1.221 -4.858 453 H PHE 59 H PHE 59 -1.801 -1.198 -6.029 454 HA PHE 59 HA PHE 59 -3.763 -1.840 -3.910 455 1HB PHE 59 1HB PHE 59 -3.483 -2.773 -6.773 456 2HB PHE 59 2HB PHE 59 -4.922 -2.959 -5.767 457 HD1 PHE 59 1HD PHE 59 -3.623 -1.223 -8.421 458 HD2 PHE 59 2HD PHE 59 -5.801 -0.590 -4.788 459 HE1 PHE 59 1HE PHE 59 -4.405 1.016 -9.282 460 HE2 PHE 59 2HE PHE 59 -6.475 1.694 -5.605 461 HZ PHE 59 HZ PHE 59 -5.803 2.469 -7.861 462 H ILE 60 H ILE 60 -4.572 -3.756 -3.429 463 HA ILE 60 HA ILE 60 -2.748 -6.034 -3.796 464 HB ILE 60 HB ILE 60 -3.551 -7.029 -1.837 465 1HG1 ILE 60 1HG1 ILE 60 -5.148 -4.571 -1.090 466 2HG1 ILE 60 2HG1 ILE 60 -5.807 -6.116 -1.633 467 1HG2 ILE 60 1HG2 ILE 60 -2.683 -4.225 -1.228 468 2HG2 ILE 60 2HG2 ILE 60 -2.305 -5.704 -0.290 469 3HG2 ILE 60 3HG2 ILE 60 -1.621 -5.523 -1.900 470 1HD1 ILE 60 1HD1 ILE 60 -5.960 -6.013 0.771 471 2HD1 ILE 60 2HD1 ILE 60 -4.821 -7.275 0.278 472 3HD1 ILE 60 3HD1 ILE 60 -4.216 -5.721 0.897 473 H LYS 61 H LYS 61 -3.470 -7.400 -5.261 474 HA LYS 61 HA LYS 61 -6.384 -7.892 -5.462 475 1HB LYS 61 1HB LYS 61 -5.921 -8.635 -7.813 476 2HB LYS 61 2HB LYS 61 -6.180 -6.901 -7.521 477 1HG LYS 61 1HG LYS 61 -4.051 -6.419 -8.043 478 2HG LYS 61 2HG LYS 61 -3.415 -7.999 -7.463 479 1HD LYS 61 1HD LYS 61 -4.765 -8.976 -9.558 480 2HD LYS 61 2HD LYS 61 -4.609 -7.296 -10.128 481 1HE LYS 61 1HE LYS 61 -2.368 -7.362 -10.186 482 2HE LYS 61 2HE LYS 61 -2.290 -8.604 -8.915 483 1HZ LYS 61 1HZ LYS 61 -3.067 -9.245 -11.710 484 2HZ LYS 61 2HZ LYS 61 -1.569 -9.397 -11.115 485 3HZ LYS 61 3HZ LYS 61 -2.747 -10.285 -10.469 486 H ARG 62 H ARG 62 -7.021 -10.005 -5.957 487 HA ARG 62 HA ARG 62 -5.640 -11.862 -4.380 488 1HB ARG 62 1HB ARG 62 -7.441 -13.303 -4.702 489 2HB ARG 62 2HB ARG 62 -7.979 -11.646 -4.287 490 1HG ARG 62 1HG ARG 62 -8.824 -11.228 -6.353 491 2HG ARG 62 2HG ARG 62 -7.726 -12.349 -7.100 492 1HD ARG 62 1HD ARG 62 -9.141 -14.206 -5.889 493 2HD ARG 62 2HD ARG 62 -10.296 -12.885 -5.586 494 HE ARG 62 HE ARG 62 -9.623 -13.171 -8.413 495 1HH1 ARG 62 2HH2 ARG 62 -11.680 -14.570 -5.821 496 2HH1 ARG 62 1HH2 ARG 62 -12.897 -15.114 -6.913 497 1HH2 ARG 62 2HH1 ARG 62 -11.314 -13.808 -9.802 498 2HH2 ARG 62 1HH1 ARG 62 -12.677 -14.658 -9.217 499 H SER 63 H SER 63 -3.750 -11.485 -5.924 500 HA SER 63 HA SER 63 -2.070 -12.324 -7.124 501 1HB SER 63 1HB SER 63 -3.214 -14.576 -6.039 502 2HB SER 63 2HB SER 63 -3.240 -14.927 -7.787 503 HG SER 63 HG SER 63 -0.930 -14.509 -7.754 504 H ASP 64 H ASP 64 -5.033 -13.726 -8.392 505 HA ASP 64 HA ASP 64 -6.396 -13.223 -10.129 506 1HB ASP 64 1HB ASP 64 -5.220 -10.993 -10.530 507 2HB ASP 64 2HB ASP 64 -4.119 -11.863 -11.613 508 H ALA 65 H ALA 65 -6.551 -14.360 -12.215 509 HA ALA 65 HA ALA 65 -6.196 -15.964 -13.684 510 1HB ALA 65 1HB ALA 65 -4.089 -16.752 -14.347 511 2HB ALA 65 2HB ALA 65 -3.885 -15.046 -13.917 512 3HB ALA 65 3HB ALA 65 -3.355 -16.342 -12.819 513 H LEU 66 H LEU 66 -6.871 -16.464 -10.760 514 HA LEU 66 HA LEU 66 -7.010 -19.362 -10.939 515 1HB LEU 66 1HB LEU 66 -5.899 -19.600 -8.638 516 2HB LEU 66 2HB LEU 66 -4.935 -19.453 -10.096 517 HG LEU 66 HG LEU 66 -4.538 -17.060 -9.665 518 1HD1 LEU 66 1HD1 LEU 66 -6.086 -17.557 -7.105 519 2HD1 LEU 66 2HD1 LEU 66 -5.166 -16.086 -7.477 520 3HD1 LEU 66 3HD1 LEU 66 -6.582 -16.526 -8.458 521 1HD2 LEU 66 1HD2 LEU 66 -3.019 -18.763 -8.923 522 2HD2 LEU 66 2HD2 LEU 66 -2.991 -17.309 -7.911 523 3HD2 LEU 66 3HD2 LEU 66 -3.797 -18.796 -7.318 524 H SER 67 H SER 67 -9.067 -17.804 -11.206 525 HA SER 67 HA SER 67 -10.515 -17.021 -8.889 526 1HB SER 67 1HB SER 67 -12.498 -17.205 -10.427 527 2HB SER 67 2HB SER 67 -11.177 -16.180 -11.001 528 HG SER 67 HG SER 67 -10.518 -17.878 -12.395 529 H THR 68 H THR 68 -10.752 -18.412 -7.172 530 HA THR 68 HA THR 68 -12.242 -20.892 -7.469 531 HB THR 68 HB THR 68 -9.314 -20.787 -6.660 532 HG1 THR 68 1HG THR 68 -10.394 -21.237 -8.912 533 1HG2 THR 68 1HG2 THR 68 -9.539 -23.236 -6.196 534 2HG2 THR 68 2HG2 THR 68 -10.373 -22.223 -5.012 535 3HG2 THR 68 3HG2 THR 68 -11.301 -23.059 -6.283 536 H ASN 69 H ASN 69 -13.474 -21.073 -5.616 537 HA ASN 69 HA ASN 69 -13.245 -18.914 -3.646 538 1HB ASN 69 1HB ASN 69 -15.354 -20.956 -4.391 539 2HB ASN 69 2HB ASN 69 -15.455 -20.098 -2.872 540 1HD2 ASN 69 1HD2 ASN 69 -16.868 -18.280 -2.996 541 2HD2 ASN 69 2HD2 ASN 69 -16.916 -17.272 -4.425 542 H HIS 70 H HIS 70 -12.606 -22.399 -3.767 543 HA HIS 70 HA HIS 70 -12.498 -22.935 -0.960 544 1HB HIS 70 1HB HIS 70 -11.073 -24.075 -3.389 545 2HB HIS 70 2HB HIS 70 -10.664 -24.614 -1.781 546 HD1 HIS 70 1HD HIS 70 -11.545 -27.115 -2.677 547 HD2 HIS 70 2HD HIS 70 -14.409 -24.015 -2.207 548 HE1 HIS 70 1HE HIS 70 -13.790 -28.218 -2.536 549 H GLY 71 H GLY 71 -10.575 -23.185 0.389 550 1HA GLY 71 1HA GLY 71 -8.391 -22.745 1.088 551 2HA GLY 71 2HA GLY 71 -8.081 -21.857 -0.412 552 H HIS 72 H HIS 72 -6.930 -20.492 1.163 553 HA HIS 72 HA HIS 72 -8.614 -18.464 2.528 554 1HB HIS 72 1HB HIS 72 -5.586 -18.735 2.242 555 2HB HIS 72 2HB HIS 72 -6.420 -17.387 3.005 556 HD1 HIS 72 1HD HIS 72 -6.043 -21.247 3.663 557 HD2 HIS 72 2HD HIS 72 -6.832 -17.528 5.509 558 HE1 HIS 72 1HE HIS 72 -5.961 -21.652 6.156 559 H LYS 73 H LYS 73 -8.211 -16.279 1.968 560 HA LYS 73 HA LYS 73 -8.313 -15.818 -0.911 561 1HB LYS 73 1HB LYS 73 -8.913 -14.284 1.621 562 2HB LYS 73 2HB LYS 73 -8.646 -13.381 0.145 563 1HG LYS 73 1HG LYS 73 -10.319 -14.819 -1.055 564 2HG LYS 73 2HG LYS 73 -10.665 -15.645 0.472 565 1HD LYS 73 1HD LYS 73 -10.962 -12.667 -0.025 566 2HD LYS 73 2HD LYS 73 -12.275 -13.855 -0.145 567 1HE LYS 73 1HE LYS 73 -11.968 -14.500 2.226 568 2HE LYS 73 2HE LYS 73 -10.637 -13.328 2.365 569 1HZ LYS 73 1HZ LYS 73 -13.441 -12.656 1.846 570 2HZ LYS 73 2HZ LYS 73 -12.583 -12.401 3.251 571 3HZ LYS 73 3HZ LYS 73 -12.196 -11.576 1.884 572 H VAL 74 H VAL 74 -6.352 -16.281 -1.610 573 HA VAL 74 HA VAL 74 -3.863 -15.141 -0.729 574 HB VAL 74 HB VAL 74 -4.600 -15.953 -3.568 575 1HG1 VAL 74 1HG1 VAL 74 -2.104 -16.459 -3.647 576 2HG1 VAL 74 2HG1 VAL 74 -2.492 -14.745 -3.524 577 3HG1 VAL 74 3HG1 VAL 74 -1.978 -15.621 -2.073 578 1HG2 VAL 74 1HG2 VAL 74 -3.674 -18.162 -3.053 579 2HG2 VAL 74 2HG2 VAL 74 -3.337 -17.660 -1.384 580 3HG2 VAL 74 3HG2 VAL 74 -5.013 -17.848 -1.949 581 H VAL 75 H VAL 75 -2.738 -13.206 -1.597 582 HA VAL 75 HA VAL 75 -3.870 -11.743 -3.723 583 HB VAL 75 HB VAL 75 -3.652 -9.486 -2.654 584 1HG1 VAL 75 1HG1 VAL 75 -5.938 -11.053 -1.474 585 2HG1 VAL 75 2HG1 VAL 75 -5.808 -9.303 -1.809 586 3HG1 VAL 75 3HG1 VAL 75 -5.933 -10.436 -3.127 587 1HG2 VAL 75 1HG2 VAL 75 -3.777 -11.021 -0.046 588 2HG2 VAL 75 2HG2 VAL 75 -2.346 -10.206 -0.709 589 3HG2 VAL 75 3HG2 VAL 75 -3.775 -9.257 -0.263 590 H GLU 76 H GLU 76 -2.323 -9.668 -4.124 591 HA GLU 76 HA GLU 76 0.412 -10.235 -3.289 592 1HB GLU 76 1HB GLU 76 1.303 -10.313 -5.525 593 2HB GLU 76 2HB GLU 76 0.097 -11.589 -5.451 594 1HG GLU 76 1HG GLU 76 -1.492 -10.240 -6.768 595 2HG GLU 76 2HG GLU 76 -0.428 -8.838 -6.681 596 H LEU 77 H LEU 77 1.772 -8.509 -4.389 597 HA LEU 77 HA LEU 77 0.625 -5.831 -3.911 598 1HB LEU 77 1HB LEU 77 3.262 -7.352 -3.926 599 2HB LEU 77 2HB LEU 77 3.350 -5.745 -4.576 600 HG LEU 77 HG LEU 77 3.807 -6.069 -2.148 601 1HD1 LEU 77 1HD1 LEU 77 1.800 -4.056 -3.229 602 2HD1 LEU 77 2HD1 LEU 77 2.584 -3.863 -1.639 603 3HD1 LEU 77 3HD1 LEU 77 3.583 -3.868 -3.092 604 1HD2 LEU 77 1HD2 LEU 77 0.827 -6.104 -1.740 605 2HD2 LEU 77 2HD2 LEU 77 1.984 -7.351 -1.281 606 3HD2 LEU 77 3HD2 LEU 77 2.060 -5.741 -0.558 607 H VAL 78 H VAL 78 0.334 -4.373 -5.550 608 HA VAL 78 HA VAL 78 1.561 -4.728 -8.184 609 HB VAL 78 HB VAL 78 -1.397 -4.057 -8.083 610 1HG1 VAL 78 1HG1 VAL 78 0.227 -5.733 -10.039 611 2HG1 VAL 78 2HG1 VAL 78 -1.475 -5.241 -10.201 612 3HG1 VAL 78 3HG1 VAL 78 -0.196 -4.008 -10.264 613 1HG2 VAL 78 1HG2 VAL 78 -2.027 -6.308 -8.367 614 2HG2 VAL 78 2HG2 VAL 78 -0.423 -6.904 -7.909 615 3HG2 VAL 78 3HG2 VAL 78 -1.472 -6.029 -6.732 616 H ALA 79 H ALA 79 1.548 -2.530 -9.339 617 HA ALA 79 HA ALA 79 0.789 -0.226 -7.641 618 1HB ALA 79 1HB ALA 79 3.146 -0.626 -7.024 619 2HB ALA 79 2HB ALA 79 3.603 -0.667 -8.762 620 3HB ALA 79 3HB ALA 79 3.061 0.810 -7.981 621 H GLU 80 H GLU 80 -0.143 1.281 -8.791 622 HA GLU 80 HA GLU 80 0.150 1.557 -11.714 623 1HB GLU 80 1HB GLU 80 -2.427 1.244 -10.196 624 2HB GLU 80 2HB GLU 80 -2.361 2.143 -11.715 625 1HG GLU 80 1HG GLU 80 -1.452 -0.756 -11.531 626 2HG GLU 80 2HG GLU 80 -3.139 -0.287 -11.779 627 H MET 81 H MET 81 -0.517 3.800 -12.332 628 HA MET 81 HA MET 81 0.339 5.735 -10.258 629 1HB MET 81 1HB MET 81 0.259 6.117 -13.282 630 2HB MET 81 2HB MET 81 1.120 7.097 -12.060 631 1HG MET 81 1HG MET 81 2.544 5.110 -11.584 632 2HG MET 81 2HG MET 81 1.675 4.211 -12.873 633 1HE MET 81 1HE MET 81 4.336 6.916 -11.913 634 2HE MET 81 2HE MET 81 4.683 7.708 -13.450 635 3HE MET 81 3HE MET 81 3.129 7.943 -12.665 636 H ASP 82 H ASP 82 -1.862 5.561 -13.122 637 HA ASP 82 HA ASP 82 -3.590 7.662 -11.969 638 1HB ASP 82 1HB ASP 82 -3.073 6.840 -14.565 639 2HB ASP 82 2HB ASP 82 -4.650 6.221 -14.274 640 H GLY 83 H GLY 83 -3.039 4.601 -11.137 641 1HA GLY 83 1HA GLY 83 -4.162 2.805 -10.329 642 2HA GLY 83 2HA GLY 83 -5.605 3.829 -10.109 643 H ILE 84 H ILE 84 -3.810 3.176 -13.136 644 HA ILE 84 HA ILE 84 -5.989 3.197 -14.781 645 HB ILE 84 HB ILE 84 -3.241 2.006 -14.938 646 1HG1 ILE 84 1HG1 ILE 84 -4.728 4.138 -16.514 647 2HG1 ILE 84 2HG1 ILE 84 -3.580 4.400 -15.200 648 1HG2 ILE 84 1HG2 ILE 84 -4.529 0.321 -16.140 649 2HG2 ILE 84 2HG2 ILE 84 -5.264 1.595 -17.155 650 3HG2 ILE 84 3HG2 ILE 84 -3.509 1.226 -17.230 651 1HD1 ILE 84 1HD1 ILE 84 -2.953 3.255 -17.940 652 2HD1 ILE 84 2HD1 ILE 84 -2.453 4.816 -17.274 653 3HD1 ILE 84 3HD1 ILE 84 -1.790 3.307 -16.599 654 H GLN 85 H GLN 85 -4.758 0.270 -13.108 655 HA GLN 85 HA GLN 85 -7.358 -0.975 -13.679 656 1HB GLN 85 1HB GLN 85 -4.761 -1.955 -14.653 657 2HB GLN 85 2HB GLN 85 -5.417 -3.068 -13.472 658 1HG GLN 85 1HG GLN 85 -7.673 -2.765 -14.837 659 2HG GLN 85 2HG GLN 85 -6.565 -2.205 -16.103 660 1HE2 GLN 85 1HE2 GLN 85 -5.877 -3.954 -17.498 661 2HE2 GLN 85 2HE2 GLN 85 -5.879 -5.611 -16.954 662 H TYR 86 H TYR 86 -7.476 -2.914 -12.287 663 HA TYR 86 HA TYR 86 -7.672 -3.966 -10.373 664 1HB TYR 86 1HB TYR 86 -5.262 -2.554 -9.260 665 2HB TYR 86 2HB TYR 86 -5.877 -4.156 -8.862 666 HD1 TYR 86 1HD TYR 86 -3.375 -2.480 -10.643 667 HD2 TYR 86 2HD TYR 86 -6.205 -5.683 -11.178 668 HE1 TYR 86 1HE TYR 86 -1.956 -3.407 -12.409 669 HE2 TYR 86 2HE TYR 86 -4.783 -6.644 -12.953 670 HH TYR 86 HH TYR 86 -1.677 -5.100 -13.887 671 H GLY 87 H GLY 87 -6.782 -0.566 -9.480 672 1HA GLY 87 1HA GLY 87 -8.226 -0.358 -7.116 673 2HA GLY 87 2HA GLY 87 -7.972 0.988 -8.249 674 H ARG 88 H ARG 88 -9.477 0.539 -10.370 675 HA ARG 88 HA ARG 88 -12.248 0.569 -9.310 676 1HB ARG 88 1HB ARG 88 -12.879 1.391 -11.569 677 2HB ARG 88 2HB ARG 88 -11.800 2.428 -10.709 678 1HG ARG 88 1HG ARG 88 -10.563 0.486 -12.612 679 2HG ARG 88 2HG ARG 88 -11.446 1.859 -13.282 680 1HD ARG 88 1HD ARG 88 -9.443 2.494 -11.115 681 2HD ARG 88 2HD ARG 88 -8.852 1.950 -12.695 682 HE ARG 88 HE ARG 88 -9.511 3.817 -13.707 683 1HH1 ARG 88 2HH2 ARG 88 -10.810 4.101 -10.330 684 2HH1 ARG 88 1HH2 ARG 88 -11.197 5.752 -10.558 685 1HH2 ARG 88 2HH1 ARG 88 -9.983 6.021 -13.856 686 2HH2 ARG 88 1HH1 ARG 88 -10.839 6.823 -12.585 687 H SER 89 H SER 89 -10.520 -2.042 -9.858 688 HA SER 89 HA SER 89 -12.196 -3.296 -11.919 689 1HB SER 89 1HB SER 89 -9.906 -4.421 -10.271 690 2HB SER 89 2HB SER 89 -10.750 -5.252 -11.582 691 HG SER 89 HG SER 89 -10.147 -3.196 -12.821 692 H GLY 90 H GLY 90 -12.836 -5.748 -11.113 693 1HA GLY 90 1HA GLY 90 -14.446 -5.401 -8.614 694 2HA GLY 90 2HA GLY 90 -14.809 -6.491 -9.919 695 H ILE 91 H ILE 91 -11.756 -7.083 -10.050 696 HA ILE 91 HA ILE 91 -11.251 -8.706 -7.680 697 HB ILE 91 HB ILE 91 -10.156 -9.201 -9.808 698 1HG1 ILE 91 1HG1 ILE 91 -8.055 -8.408 -7.869 699 2HG1 ILE 91 2HG1 ILE 91 -9.223 -9.708 -7.610 700 1HG2 ILE 91 1HG2 ILE 91 -8.492 -6.636 -9.481 701 2HG2 ILE 91 2HG2 ILE 91 -8.244 -7.864 -10.704 702 3HG2 ILE 91 3HG2 ILE 91 -9.709 -6.917 -10.749 703 1HD1 ILE 91 1HD1 ILE 91 -8.427 -10.835 -9.693 704 2HD1 ILE 91 2HD1 ILE 91 -7.189 -9.575 -9.884 705 3HD1 ILE 91 3HD1 ILE 91 -7.130 -10.659 -8.491 706 H THR 92 H THR 92 -9.397 -7.951 -6.320 707 HA THR 92 HA THR 92 -7.918 -6.547 -5.440 708 HB THR 92 HB THR 92 -9.491 -4.117 -6.315 709 HG1 THR 92 1HG THR 92 -8.536 -4.223 -8.097 710 1HG2 THR 92 1HG2 THR 92 -7.395 -2.916 -6.113 711 2HG2 THR 92 2HG2 THR 92 -7.780 -3.630 -4.546 712 3HG2 THR 92 3HG2 THR 92 -6.562 -4.385 -5.593 713 H LEU 93 H LEU 93 -7.800 -5.615 -3.322 714 HA LEU 93 HA LEU 93 -10.378 -5.748 -1.805 715 1HB LEU 93 1HB LEU 93 -7.723 -6.489 -0.675 716 2HB LEU 93 2HB LEU 93 -9.337 -6.718 0.015 717 HG LEU 93 HG LEU 93 -8.220 -8.160 -2.461 718 1HD1 LEU 93 1HD1 LEU 93 -8.779 -9.151 0.339 719 2HD1 LEU 93 2HD1 LEU 93 -8.045 -10.059 -1.032 720 3HD1 LEU 93 3HD1 LEU 93 -7.188 -8.702 -0.279 721 1HD2 LEU 93 1HD2 LEU 93 -10.146 -9.696 -2.221 722 2HD2 LEU 93 2HD2 LEU 93 -10.781 -8.689 -0.915 723 3HD2 LEU 93 3HD2 LEU 93 -10.717 -8.060 -2.561 724 H GLY 94 H GLY 94 -7.153 -4.027 -2.073 725 1HA GLY 94 1HA GLY 94 -8.295 -1.564 -1.300 726 2HA GLY 94 2HA GLY 94 -7.464 -2.275 0.101 727 H VAL 95 H VAL 95 -6.097 -0.347 -0.232 728 HA VAL 95 HA VAL 95 -3.741 -0.901 -1.982 729 HB VAL 95 HB VAL 95 -5.024 1.771 -1.162 730 1HG1 VAL 95 1HG1 VAL 95 -3.137 2.905 -2.354 731 2HG1 VAL 95 2HG1 VAL 95 -2.578 2.093 -0.906 732 3HG1 VAL 95 3HG1 VAL 95 -2.320 1.344 -2.506 733 1HG2 VAL 95 1HG2 VAL 95 -4.926 2.238 -3.575 734 2HG2 VAL 95 2HG2 VAL 95 -4.230 0.642 -3.822 735 3HG2 VAL 95 3HG2 VAL 95 -5.910 0.830 -3.187 736 H LEU 96 H LEU 96 -1.791 -0.407 -1.108 737 HA LEU 96 HA LEU 96 -1.755 -0.589 1.877 738 1HB LEU 96 1HB LEU 96 0.214 -1.492 -0.260 739 2HB LEU 96 2HB LEU 96 0.678 -1.220 1.417 740 HG LEU 96 HG LEU 96 -1.428 -3.241 0.560 741 1HD1 LEU 96 1HD1 LEU 96 1.425 -3.555 1.603 742 2HD1 LEU 96 2HD1 LEU 96 0.300 -4.873 1.200 743 3HD1 LEU 96 3HD1 LEU 96 0.892 -3.807 -0.057 744 1HD2 LEU 96 1HD2 LEU 96 -0.359 -2.354 3.260 745 2HD2 LEU 96 2HD2 LEU 96 -2.047 -2.593 2.756 746 3HD2 LEU 96 3HD2 LEU 96 -0.985 -3.985 3.023 747 H VAL 97 H VAL 97 -0.687 0.808 3.011 748 HA VAL 97 HA VAL 97 0.916 3.035 1.924 749 HB VAL 97 HB VAL 97 -0.393 4.523 3.460 750 1HG1 VAL 97 1HG1 VAL 97 -2.236 4.913 1.951 751 2HG1 VAL 97 2HG1 VAL 97 -0.856 4.382 0.995 752 3HG1 VAL 97 3HG1 VAL 97 -2.183 3.250 1.345 753 1HG2 VAL 97 1HG2 VAL 97 -1.344 2.711 4.951 754 2HG2 VAL 97 2HG2 VAL 97 -2.544 3.855 4.367 755 3HG2 VAL 97 3HG2 VAL 97 -2.416 2.236 3.638 756 HA PRO 98 HA PRO 98 3.179 2.023 5.659 757 1HB PRO 98 1HB PRO 98 3.177 4.853 6.530 758 2HB PRO 98 2HB PRO 98 4.545 3.731 6.174 759 1HG PRO 98 1HG PRO 98 3.786 5.815 4.461 760 2HG PRO 98 2HG PRO 98 4.555 4.315 3.915 761 1HD PRO 98 1HD PRO 98 1.671 5.136 3.915 762 2HD PRO 98 2HD PRO 98 2.593 4.228 2.664 763 H HIS 99 H HIS 99 2.739 1.768 7.947 764 HA HIS 99 HA HIS 99 0.394 3.240 9.068 765 1HB HIS 99 1HB HIS 99 -0.108 0.928 9.341 766 2HB HIS 99 2HB HIS 99 1.561 0.516 9.769 767 HD1 HIS 99 1HD HIS 99 1.955 0.212 12.371 768 HD2 HIS 99 2HD HIS 99 -1.103 2.947 11.326 769 HE1 HIS 99 1HE HIS 99 0.993 1.059 14.505 770 H VAL 100 H VAL 100 1.111 4.963 10.068 771 HA VAL 100 HA VAL 100 3.411 4.828 11.945 772 HB VAL 100 HB VAL 100 2.750 7.028 9.952 773 1HG1 VAL 100 1HG1 VAL 100 4.858 6.941 12.155 774 2HG1 VAL 100 2HG1 VAL 100 4.862 8.103 10.795 775 3HG1 VAL 100 3HG1 VAL 100 3.548 8.134 11.953 776 1HG2 VAL 100 1HG2 VAL 100 5.105 5.104 10.233 777 2HG2 VAL 100 2HG2 VAL 100 3.962 5.200 8.883 778 3HG2 VAL 100 3HG2 VAL 100 5.114 6.507 9.168 779 H GLY 101 H GLY 101 1.197 4.044 13.004 780 1HA GLY 101 1HA GLY 101 -0.099 4.444 14.837 781 2HA GLY 101 2HA GLY 101 0.904 5.871 15.094 782 H GLU 102 H GLU 102 -1.027 5.622 12.190 783 HA GLU 102 HA GLU 102 -2.328 8.102 12.640 784 1HB GLU 102 1HB GLU 102 -2.488 5.963 10.529 785 2HB GLU 102 2HB GLU 102 -3.362 7.483 10.373 786 1HG GLU 102 1HG GLU 102 -1.528 8.750 10.058 787 2HG GLU 102 2HG GLU 102 -0.491 7.817 11.096 788 H THR 103 H THR 103 -3.103 5.574 14.149 789 HA THR 103 HA THR 103 -4.782 4.553 15.253 790 HB THR 103 HB THR 103 -6.086 7.141 14.511 791 HG1 THR 103 1HG THR 103 -5.226 7.813 16.260 792 1HG2 THR 103 1HG2 THR 103 -7.923 5.615 15.035 793 2HG2 THR 103 2HG2 THR 103 -7.053 4.983 16.445 794 3HG2 THR 103 3HG2 THR 103 -7.639 6.662 16.431 795 HA PRO 104 HA PRO 104 -7.036 2.602 11.858 796 1HB PRO 104 1HB PRO 104 -7.139 0.047 12.900 797 2HB PRO 104 2HB PRO 104 -5.786 0.735 11.981 798 1HG PRO 104 1HG PRO 104 -6.079 0.428 14.968 799 2HG PRO 104 2HG PRO 104 -4.621 0.160 13.960 800 1HD PRO 104 1HD PRO 104 -5.104 2.453 15.416 801 2HD PRO 104 2HD PRO 104 -4.126 2.424 13.927 802 H ILE 105 H ILE 105 -9.041 1.810 11.559 803 HA ILE 105 HA ILE 105 -10.996 2.051 13.789 804 HB ILE 105 HB ILE 105 -12.677 2.003 11.955 805 1HG1 ILE 105 1HG1 ILE 105 -10.961 0.904 10.255 806 2HG1 ILE 105 2HG1 ILE 105 -12.260 1.930 9.717 807 1HG2 ILE 105 1HG2 ILE 105 -10.628 4.248 11.906 808 2HG2 ILE 105 2HG2 ILE 105 -12.238 4.334 11.181 809 3HG2 ILE 105 3HG2 ILE 105 -12.064 4.116 12.927 810 1HD1 ILE 105 1HD1 ILE 105 -10.000 2.342 8.646 811 2HD1 ILE 105 2HD1 ILE 105 -10.834 3.747 9.299 812 3HD1 ILE 105 3HD1 ILE 105 -9.481 3.073 10.193 813 H ALA 106 H ALA 106 -9.413 -0.320 11.753 814 HA ALA 106 HA ALA 106 -10.649 -2.519 13.110 815 1HB ALA 106 1HB ALA 106 -11.594 -3.587 11.072 816 2HB ALA 106 2HB ALA 106 -12.406 -2.035 11.371 817 3HB ALA 106 3HB ALA 106 -11.147 -2.148 10.118 818 H TYR 107 H TYR 107 -9.787 -4.600 11.710 819 HA TYR 107 HA TYR 107 -7.091 -4.054 10.616 820 1HB TYR 107 1HB TYR 107 -7.761 -5.899 12.897 821 2HB TYR 107 2HB TYR 107 -6.577 -6.399 11.721 822 HD1 TYR 107 1HD TYR 107 -7.301 -3.210 13.693 823 HD2 TYR 107 2HD TYR 107 -4.348 -6.061 12.318 824 HE1 TYR 107 1HE TYR 107 -5.516 -1.926 14.790 825 HE2 TYR 107 2HE TYR 107 -2.603 -4.783 13.475 826 HH TYR 107 HH TYR 107 -2.092 -2.961 14.874 827 H ARG 108 H ARG 108 -6.451 -5.872 9.144 828 HA ARG 108 HA ARG 108 -8.700 -7.548 8.210 829 1HB ARG 108 1HB ARG 108 -8.234 -5.198 6.920 830 2HB ARG 108 2HB ARG 108 -7.075 -6.239 6.091 831 1HG ARG 108 1HG ARG 108 -9.089 -6.387 4.833 832 2HG ARG 108 2HG ARG 108 -9.016 -7.879 5.753 833 1HD ARG 108 1HD ARG 108 -10.536 -6.840 7.470 834 2HD ARG 108 2HD ARG 108 -10.653 -5.400 6.477 835 HE ARG 108 HE ARG 108 -11.912 -8.000 6.074 836 1HH1 ARG 108 2HH2 ARG 108 -11.562 -4.693 4.717 837 2HH1 ARG 108 1HH2 ARG 108 -12.360 -5.111 3.261 838 1HH2 ARG 108 2HH1 ARG 108 -13.370 -8.305 4.247 839 2HH2 ARG 108 1HH1 ARG 108 -13.397 -7.049 3.019 840 H ASN 109 H ASN 109 -8.050 -9.569 7.469 841 HA ASN 109 HA ASN 109 -5.247 -10.312 7.741 842 1HB ASN 109 1HB ASN 109 -6.099 -12.532 7.527 843 2HB ASN 109 2HB ASN 109 -7.046 -11.690 8.717 844 1HD2 ASN 109 1HD2 ASN 109 -7.413 -14.040 6.563 845 2HD2 ASN 109 2HD2 ASN 109 -9.114 -13.785 6.207 846 H VAL 110 H VAL 110 -3.999 -11.015 6.010 847 HA VAL 110 HA VAL 110 -5.094 -11.243 3.302 848 HB VAL 110 HB VAL 110 -3.127 -9.933 2.458 849 1HG1 VAL 110 1HG1 VAL 110 -4.135 -7.743 2.741 850 2HG1 VAL 110 2HG1 VAL 110 -5.415 -8.958 2.539 851 3HG1 VAL 110 3HG1 VAL 110 -5.061 -8.288 4.149 852 1HG2 VAL 110 1HG2 VAL 110 -1.972 -8.352 3.896 853 2HG2 VAL 110 2HG2 VAL 110 -2.923 -8.842 5.304 854 3HG2 VAL 110 3HG2 VAL 110 -1.768 -9.976 4.579 855 H LEU 111 H LEU 111 -3.306 -12.421 1.832 856 HA LEU 111 HA LEU 111 -1.355 -13.923 3.525 857 1HB LEU 111 1HB LEU 111 -2.946 -14.349 0.978 858 2HB LEU 111 2HB LEU 111 -1.356 -15.095 1.042 859 HG LEU 111 HG LEU 111 -3.074 -16.636 1.397 860 1HD1 LEU 111 1HD1 LEU 111 -0.920 -16.897 2.568 861 2HD1 LEU 111 2HD1 LEU 111 -1.675 -16.261 4.046 862 3HD1 LEU 111 3HD1 LEU 111 -2.253 -17.775 3.331 863 1HD2 LEU 111 1HD2 LEU 111 -3.964 -14.939 3.712 864 2HD2 LEU 111 2HD2 LEU 111 -4.902 -15.506 2.316 865 3HD2 LEU 111 3HD2 LEU 111 -4.386 -16.651 3.572 866 H LEU 112 H LEU 112 0.752 -14.056 2.569 867 HA LEU 112 HA LEU 112 1.443 -12.187 0.344 868 1HB LEU 112 1HB LEU 112 2.365 -11.576 2.628 869 2HB LEU 112 2HB LEU 112 3.148 -13.093 2.740 870 HG LEU 112 HG LEU 112 4.570 -12.621 0.794 871 1HD1 LEU 112 1HD1 LEU 112 3.098 -11.315 -0.671 872 2HD1 LEU 112 2HD1 LEU 112 3.189 -9.955 0.446 873 3HD1 LEU 112 3HD1 LEU 112 4.632 -10.520 -0.410 874 1HD2 LEU 112 1HD2 LEU 112 4.623 -10.945 3.176 875 2HD2 LEU 112 2HD2 LEU 112 5.887 -11.870 2.390 876 3HD2 LEU 112 3HD2 LEU 112 5.482 -10.221 1.822 877 H ARG 113 H ARG 113 2.760 -13.041 -1.236 878 HA ARG 113 HA ARG 113 2.908 -15.766 -1.680 879 1HB ARG 113 1HB ARG 113 4.847 -13.691 -2.758 880 2HB ARG 113 2HB ARG 113 4.460 -15.257 -3.455 881 1HG ARG 113 1HG ARG 113 3.015 -14.174 -4.737 882 2HG ARG 113 2HG ARG 113 1.951 -14.188 -3.358 883 1HD ARG 113 1HD ARG 113 1.876 -11.963 -3.835 884 2HD ARG 113 2HD ARG 113 3.253 -11.901 -2.762 885 HE ARG 113 HE ARG 113 3.257 -11.876 -5.722 886 1HH1 ARG 113 2HH2 ARG 113 5.390 -11.484 -2.800 887 2HH1 ARG 113 1HH2 ARG 113 6.636 -10.802 -3.791 888 1HH2 ARG 113 2HH1 ARG 113 4.858 -10.677 -6.771 889 2HH2 ARG 113 1HH1 ARG 113 6.401 -10.428 -5.995 890 H LYS 114 H LYS 114 4.620 -17.170 -1.886 891 HA LYS 114 HA LYS 114 7.096 -16.745 -0.400 892 1HB LYS 114 1HB LYS 114 4.995 -17.899 0.992 893 2HB LYS 114 2HB LYS 114 5.650 -19.322 0.159 894 1HG LYS 114 1HG LYS 114 7.944 -18.613 1.128 895 2HG LYS 114 2HG LYS 114 7.043 -17.434 2.100 896 1HD LYS 114 1HD LYS 114 5.675 -19.941 2.327 897 2HD LYS 114 2HD LYS 114 7.380 -20.303 2.482 898 1HE LYS 114 1HE LYS 114 7.615 -18.940 4.431 899 2HE LYS 114 2HE LYS 114 6.069 -18.102 4.127 900 1HZ LYS 114 1HZ LYS 114 6.367 -20.944 4.887 901 2HZ LYS 114 2HZ LYS 114 5.767 -19.734 5.829 902 3HZ LYS 114 3HZ LYS 114 4.938 -20.222 4.482 903 H ASN 115 H ASN 115 8.674 -18.249 -1.343 904 HA ASN 115 HA ASN 115 7.504 -20.379 -3.002 905 1HB ASN 115 1HB ASN 115 9.942 -18.815 -3.929 906 2HB ASN 115 2HB ASN 115 9.458 -20.401 -4.542 907 1HD2 ASN 115 1HD2 ASN 115 8.727 -16.974 -4.639 908 2HD2 ASN 115 2HD2 ASN 115 7.291 -17.100 -5.674 909 H GLY 116 H GLY 116 10.960 -19.955 -2.438 910 1HA GLY 116 1HA GLY 116 10.862 -21.429 0.062 911 2HA GLY 116 2HA GLY 116 11.826 -22.135 -1.268 Start of MODEL 11 1 1H GLY 1 H GLY 1 3.675 -22.937 -0.132 2 1HA GLY 1 1HA GLY 1 2.528 -22.529 2.566 3 2HA GLY 1 2HA GLY 1 4.240 -22.217 2.209 4 H HIS 2 H HIS 2 1.488 -20.647 2.684 5 HA HIS 2 HA HIS 2 2.759 -18.332 1.484 6 1HB HIS 2 1HB HIS 2 -0.317 -18.589 1.486 7 2HB HIS 2 2HB HIS 2 0.604 -17.190 1.100 8 HD1 HIS 2 1HD HIS 2 0.237 -20.789 -0.490 9 HD2 HIS 2 2HD HIS 2 0.916 -16.729 -1.248 10 HE1 HIS 2 1HE HIS 2 0.432 -20.588 -3.013 11 H VAL 3 H VAL 3 2.481 -16.542 2.936 12 HA VAL 3 HA VAL 3 2.081 -17.479 5.751 13 HB VAL 3 HB VAL 3 3.462 -15.078 4.560 14 1HG1 VAL 3 1HG1 VAL 3 4.400 -14.686 6.851 15 2HG1 VAL 3 2HG1 VAL 3 2.688 -14.359 6.653 16 3HG1 VAL 3 3HG1 VAL 3 3.205 -15.871 7.452 17 1HG2 VAL 3 1HG2 VAL 3 5.531 -16.196 5.530 18 2HG2 VAL 3 2HG2 VAL 3 4.508 -17.595 5.905 19 3HG2 VAL 3 3HG2 VAL 3 4.783 -17.122 4.214 20 H GLN 4 H GLN 4 0.526 -16.583 6.897 21 HA GLN 4 HA GLN 4 -1.369 -14.677 5.700 22 1HB GLN 4 1HB GLN 4 -1.803 -16.682 7.565 23 2HB GLN 4 2HB GLN 4 -1.617 -15.273 8.612 24 1HG GLN 4 1HG GLN 4 -3.234 -14.068 7.008 25 2HG GLN 4 2HG GLN 4 -3.468 -15.645 6.238 26 1HE2 GLN 4 1HE2 GLN 4 -3.759 -13.970 9.416 27 2HE2 GLN 4 2HE2 GLN 4 -5.090 -14.924 10.017 28 H LEU 5 H LEU 5 -1.251 -12.584 5.998 29 HA LEU 5 HA LEU 5 0.248 -11.645 8.292 30 1HB LEU 5 1HB LEU 5 0.359 -10.401 5.531 31 2HB LEU 5 2HB LEU 5 1.000 -9.633 6.989 32 HG LEU 5 HG LEU 5 1.956 -12.335 5.902 33 1HD1 LEU 5 1HD1 LEU 5 3.376 -9.685 5.723 34 2HD1 LEU 5 2HD1 LEU 5 3.941 -11.244 5.123 35 3HD1 LEU 5 3HD1 LEU 5 2.518 -10.507 4.374 36 1HD2 LEU 5 1HD2 LEU 5 2.373 -12.044 8.360 37 2HD2 LEU 5 2HD2 LEU 5 3.867 -12.028 7.436 38 3HD2 LEU 5 3HD2 LEU 5 3.173 -10.498 8.033 39 H SER 6 H SER 6 -0.628 -9.512 9.074 40 HA SER 6 HA SER 6 -3.359 -8.992 8.137 41 1HB SER 6 1HB SER 6 -3.634 -10.481 10.092 42 2HB SER 6 2HB SER 6 -2.600 -9.421 11.059 43 HG SER 6 HG SER 6 -4.974 -8.521 9.767 44 H LEU 7 H LEU 7 -3.938 -6.804 8.442 45 HA LEU 7 HA LEU 7 -1.775 -4.947 9.257 46 1HB LEU 7 1HB LEU 7 -3.326 -4.844 6.633 47 2HB LEU 7 2HB LEU 7 -2.144 -3.659 7.170 48 HG LEU 7 HG LEU 7 -1.469 -6.583 6.566 49 1HD1 LEU 7 1HD1 LEU 7 -0.542 -5.836 4.459 50 2HD1 LEU 7 2HD1 LEU 7 -2.259 -5.409 4.541 51 3HD1 LEU 7 3HD1 LEU 7 -1.022 -4.164 4.806 52 1HD2 LEU 7 1HD2 LEU 7 0.365 -4.162 6.861 53 2HD2 LEU 7 2HD2 LEU 7 0.158 -5.424 8.090 54 3HD2 LEU 7 3HD2 LEU 7 0.859 -5.839 6.528 55 HA PRO 8 HA PRO 8 -5.468 -3.105 11.011 56 1HB PRO 8 1HB PRO 8 -4.797 -0.468 11.207 57 2HB PRO 8 2HB PRO 8 -4.111 -1.703 12.265 58 1HG PRO 8 1HG PRO 8 -2.910 -0.529 9.738 59 2HG PRO 8 2HG PRO 8 -2.114 -0.761 11.330 60 1HD PRO 8 1HD PRO 8 -1.791 -2.588 9.339 61 2HD PRO 8 2HD PRO 8 -1.935 -3.069 11.020 62 H VAL 9 H VAL 9 -7.105 -1.381 10.456 63 HA VAL 9 HA VAL 9 -7.314 -0.710 7.567 64 HB VAL 9 HB VAL 9 -9.473 -1.401 9.590 65 1HG1 VAL 9 1HG1 VAL 9 -10.233 0.275 7.872 66 2HG1 VAL 9 2HG1 VAL 9 -9.945 -0.960 6.633 67 3HG1 VAL 9 3HG1 VAL 9 -11.130 -1.248 7.913 68 1HG2 VAL 9 1HG2 VAL 9 -8.693 -2.936 7.068 69 2HG2 VAL 9 2HG2 VAL 9 -8.134 -3.382 8.678 70 3HG2 VAL 9 3HG2 VAL 9 -9.855 -3.437 8.319 71 H LEU 10 H LEU 10 -6.912 1.422 7.450 72 HA LEU 10 HA LEU 10 -7.391 3.242 9.768 73 1HB LEU 10 1HB LEU 10 -5.106 3.177 7.748 74 2HB LEU 10 2HB LEU 10 -5.337 4.430 8.942 75 HG LEU 10 HG LEU 10 -4.860 1.549 9.777 76 1HD1 LEU 10 1HD1 LEU 10 -2.747 3.717 9.368 77 2HD1 LEU 10 2HD1 LEU 10 -2.478 2.060 9.982 78 3HD1 LEU 10 3HD1 LEU 10 -2.980 2.323 8.309 79 1HD2 LEU 10 1HD2 LEU 10 -5.688 3.260 11.447 80 2HD2 LEU 10 2HD2 LEU 10 -4.217 2.351 11.874 81 3HD2 LEU 10 3HD2 LEU 10 -4.128 4.026 11.309 82 H GLN 11 H GLN 11 -8.543 5.070 9.157 83 HA GLN 11 HA GLN 11 -9.821 5.117 6.581 84 1HB GLN 11 1HB GLN 11 -9.657 7.017 8.944 85 2HB GLN 11 2HB GLN 11 -10.294 7.575 7.406 86 1HG GLN 11 1HG GLN 11 -11.407 4.991 8.100 87 2HG GLN 11 2HG GLN 11 -11.704 6.159 9.388 88 1HE2 GLN 11 1HE2 GLN 11 -13.983 6.236 8.956 89 2HE2 GLN 11 2HE2 GLN 11 -14.621 6.842 7.451 90 H VAL 12 H VAL 12 -9.416 6.253 4.745 91 HA VAL 12 HA VAL 12 -6.802 6.957 3.983 92 HB VAL 12 HB VAL 12 -8.488 6.337 2.402 93 1HG1 VAL 12 1HG1 VAL 12 -10.585 7.051 3.406 94 2HG1 VAL 12 2HG1 VAL 12 -10.108 8.764 3.277 95 3HG1 VAL 12 3HG1 VAL 12 -10.435 7.817 1.828 96 1HG2 VAL 12 1HG2 VAL 12 -7.976 9.310 1.964 97 2HG2 VAL 12 2HG2 VAL 12 -6.784 8.028 1.695 98 3HG2 VAL 12 3HG2 VAL 12 -8.290 8.073 0.738 99 H ARG 13 H ARG 13 -9.246 8.756 5.800 100 HA ARG 13 HA ARG 13 -8.158 11.331 5.076 101 1HB ARG 13 1HB ARG 13 -9.493 12.147 7.097 102 2HB ARG 13 2HB ARG 13 -10.393 11.480 5.734 103 1HG ARG 13 1HG ARG 13 -11.073 9.608 6.830 104 2HG ARG 13 2HG ARG 13 -9.751 9.628 8.010 105 1HD ARG 13 1HD ARG 13 -11.584 11.973 8.111 106 2HD ARG 13 2HD ARG 13 -12.292 10.403 8.515 107 HE ARG 13 HE ARG 13 -9.776 10.754 9.887 108 1HH1 ARG 13 2HH2 ARG 13 -13.153 11.703 10.014 109 2HH1 ARG 13 1HH2 ARG 13 -13.275 11.734 11.741 110 1HH2 ARG 13 2HH1 ARG 13 -9.800 10.688 12.001 111 2HH2 ARG 13 1HH1 ARG 13 -11.170 11.104 13.013 112 H ASP 14 H ASP 14 -7.734 9.076 7.767 113 HA ASP 14 HA ASP 14 -6.439 10.945 9.514 114 1HB ASP 14 1HB ASP 14 -6.790 7.936 9.409 115 2HB ASP 14 2HB ASP 14 -5.763 8.673 10.623 116 H VAL 15 H VAL 15 -5.498 8.491 7.301 117 HA VAL 15 HA VAL 15 -2.682 8.327 7.634 118 HB VAL 15 HB VAL 15 -4.467 7.493 5.290 119 1HG1 VAL 15 1HG1 VAL 15 -2.768 5.853 4.862 120 2HG1 VAL 15 2HG1 VAL 15 -1.977 7.418 4.866 121 3HG1 VAL 15 3HG1 VAL 15 -1.809 6.365 6.283 122 1HG2 VAL 15 1HG2 VAL 15 -3.565 5.667 7.573 123 2HG2 VAL 15 2HG2 VAL 15 -5.122 6.461 7.616 124 3HG2 VAL 15 3HG2 VAL 15 -4.771 5.352 6.291 125 H LEU 16 H LEU 16 -2.384 10.647 7.719 126 HA LEU 16 HA LEU 16 -2.611 12.634 5.911 127 1HB LEU 16 1HB LEU 16 -1.273 13.689 7.105 128 2HB LEU 16 2HB LEU 16 -1.466 12.363 8.237 129 HG LEU 16 HG LEU 16 0.803 11.641 7.561 130 1HD1 LEU 16 1HD1 LEU 16 1.239 12.800 5.398 131 2HD1 LEU 16 2HD1 LEU 16 0.482 14.242 5.970 132 3HD1 LEU 16 3HD1 LEU 16 2.115 13.813 6.543 133 1HD2 LEU 16 1HD2 LEU 16 1.921 13.401 8.855 134 2HD2 LEU 16 2HD2 LEU 16 0.535 14.496 8.571 135 3HD2 LEU 16 3HD2 LEU 16 0.340 13.028 9.556 136 H VAL 17 H VAL 17 -0.599 9.901 5.303 137 HA VAL 17 HA VAL 17 0.047 11.044 2.708 138 HB VAL 17 HB VAL 17 2.012 11.620 3.727 139 1HG1 VAL 17 1HG1 VAL 17 3.214 10.252 5.454 140 2HG1 VAL 17 2HG1 VAL 17 1.581 10.747 5.948 141 3HG1 VAL 17 3HG1 VAL 17 1.880 9.089 5.408 142 1HG2 VAL 17 1HG2 VAL 17 2.502 10.103 1.786 143 2HG2 VAL 17 2HG2 VAL 17 3.807 10.389 2.933 144 3HG2 VAL 17 3HG2 VAL 17 2.930 8.862 3.002 145 H ARG 18 H ARG 18 -1.100 9.798 1.412 146 HA ARG 18 HA ARG 18 -0.913 6.868 1.729 147 1HB ARG 18 1HB ARG 18 -2.868 8.163 -0.098 148 2HB ARG 18 2HB ARG 18 -2.910 6.611 0.751 149 1HG ARG 18 1HG ARG 18 -4.390 7.733 2.051 150 2HG ARG 18 2HG ARG 18 -2.951 8.225 2.907 151 1HD ARG 18 1HD ARG 18 -2.890 10.220 1.316 152 2HD ARG 18 2HD ARG 18 -4.385 9.665 0.655 153 HE ARG 18 HE ARG 18 -5.207 9.850 3.138 154 1HH1 ARG 18 2HH2 ARG 18 -2.911 12.136 1.664 155 2HH1 ARG 18 1HH2 ARG 18 -3.293 13.413 2.731 156 1HH2 ARG 18 2HH1 ARG 18 -5.653 11.433 4.572 157 2HH2 ARG 18 1HH1 ARG 18 -4.961 13.012 4.482 158 H GLY 19 H GLY 19 1.420 7.740 0.871 159 1HA GLY 19 1HA GLY 19 1.616 6.772 -1.853 160 2HA GLY 19 2HA GLY 19 2.097 8.475 -1.660 161 H PHE 20 H PHE 20 3.242 5.282 -1.411 162 HA PHE 20 HA PHE 20 5.071 5.667 0.840 163 1HB PHE 20 1HB PHE 20 4.995 3.607 -1.382 164 2HB PHE 20 2HB PHE 20 6.195 3.669 -0.088 165 HD1 PHE 20 1HD PHE 20 5.361 3.617 2.400 166 HD2 PHE 20 2HD PHE 20 3.202 2.133 -1.028 167 HE1 PHE 20 1HE PHE 20 3.861 2.533 3.818 168 HE2 PHE 20 2HE PHE 20 1.885 0.717 0.442 169 HZ PHE 20 HZ PHE 20 2.174 0.801 2.979 170 H GLY 21 H GLY 21 5.080 6.710 -2.443 171 1HA GLY 21 1HA GLY 21 7.434 8.191 -2.335 172 2HA GLY 21 2HA GLY 21 7.697 6.709 -3.304 173 H ASP 22 H ASP 22 7.764 8.906 -4.770 174 HA ASP 22 HA ASP 22 5.033 9.563 -5.594 175 1HB ASP 22 1HB ASP 22 7.095 11.159 -5.072 176 2HB ASP 22 2HB ASP 22 7.437 10.900 -6.781 177 H SER 23 H SER 23 7.297 7.285 -6.598 178 HA SER 23 HA SER 23 5.946 7.089 -9.240 179 1HB SER 23 1HB SER 23 8.591 5.778 -9.016 180 2HB SER 23 2HB SER 23 7.819 6.513 -10.392 181 HG SER 23 HG SER 23 8.540 8.494 -9.770 182 H VAL 24 H VAL 24 5.653 4.921 -10.018 183 HA VAL 24 HA VAL 24 4.610 3.145 -8.088 184 HB VAL 24 HB VAL 24 3.559 2.733 -9.998 185 1HG1 VAL 24 1HG1 VAL 24 4.682 4.345 -11.431 186 2HG1 VAL 24 2HG1 VAL 24 6.078 3.245 -11.609 187 3HG1 VAL 24 3HG1 VAL 24 4.484 2.828 -12.291 188 1HG2 VAL 24 1HG2 VAL 24 4.097 0.725 -11.118 189 2HG2 VAL 24 2HG2 VAL 24 5.841 0.917 -10.819 190 3HG2 VAL 24 3HG2 VAL 24 4.751 0.535 -9.483 191 H GLU 25 H GLU 25 7.791 3.034 -9.775 192 HA GLU 25 HA GLU 25 8.455 0.519 -8.575 193 1HB GLU 25 1HB GLU 25 10.121 2.665 -9.944 194 2HB GLU 25 2HB GLU 25 10.769 1.118 -9.392 195 1HG GLU 25 1HG GLU 25 8.460 0.413 -10.888 196 2HG GLU 25 2HG GLU 25 9.199 1.723 -11.809 197 H GLU 26 H GLU 26 8.743 3.812 -7.478 198 HA GLU 26 HA GLU 26 10.458 3.289 -5.186 199 1HB GLU 26 1HB GLU 26 8.243 5.375 -5.308 200 2HB GLU 26 2HB GLU 26 9.635 5.314 -4.256 201 1HG GLU 26 1HG GLU 26 9.461 6.055 -7.141 202 2HG GLU 26 2HG GLU 26 10.151 6.947 -5.811 203 H ALA 27 H ALA 27 6.927 3.726 -5.550 204 HA ALA 27 HA ALA 27 6.408 3.178 -2.887 205 1HB ALA 27 1HB ALA 27 4.063 3.311 -3.509 206 2HB ALA 27 2HB ALA 27 4.970 4.454 -4.506 207 3HB ALA 27 3HB ALA 27 4.452 2.893 -5.191 208 H LEU 28 H LEU 28 6.104 0.912 -5.670 209 HA LEU 28 HA LEU 28 4.962 -1.229 -4.226 210 1HB LEU 28 1HB LEU 28 5.611 -0.712 -6.815 211 2HB LEU 28 2HB LEU 28 6.941 -1.774 -6.434 212 HG LEU 28 HG LEU 28 3.945 -2.287 -6.203 213 1HD1 LEU 28 1HD1 LEU 28 6.028 -3.456 -8.088 214 2HD1 LEU 28 2HD1 LEU 28 4.300 -3.869 -8.075 215 3HD1 LEU 28 3HD1 LEU 28 4.833 -2.235 -8.517 216 1HD2 LEU 28 1HD2 LEU 28 6.217 -4.197 -5.562 217 2HD2 LEU 28 2HD2 LEU 28 4.931 -3.631 -4.470 218 3HD2 LEU 28 3HD2 LEU 28 4.529 -4.698 -5.819 219 H SER 29 H SER 29 8.365 -0.208 -4.572 220 HA SER 29 HA SER 29 9.527 -2.547 -3.282 221 1HB SER 29 1HB SER 29 10.561 0.244 -3.932 222 2HB SER 29 2HB SER 29 11.561 -1.085 -3.365 223 HG SER 29 HG SER 29 11.422 -0.874 -5.722 224 H GLU 30 H GLU 30 8.931 0.891 -2.328 225 HA GLU 30 HA GLU 30 9.954 0.645 0.273 226 1HB GLU 30 1HB GLU 30 7.529 2.209 -0.568 227 2HB GLU 30 2HB GLU 30 8.635 2.541 0.759 228 1HG GLU 30 1HG GLU 30 8.661 3.434 -2.012 229 2HG GLU 30 2HG GLU 30 9.286 4.181 -0.591 230 H ALA 31 H ALA 31 6.708 -0.080 -1.064 231 HA ALA 31 HA ALA 31 5.449 -0.668 1.357 232 1HB ALA 31 1HB ALA 31 3.867 -1.963 0.186 233 2HB ALA 31 2HB ALA 31 4.226 -0.431 -0.630 234 3HB ALA 31 3HB ALA 31 4.883 -1.969 -1.285 235 H ARG 32 H ARG 32 7.188 -2.967 -0.842 236 HA ARG 32 HA ARG 32 6.888 -5.219 0.889 237 1HB ARG 32 1HB ARG 32 9.060 -4.532 -1.143 238 2HB ARG 32 2HB ARG 32 9.047 -6.052 -0.233 239 1HG ARG 32 1HG ARG 32 6.738 -6.490 -1.053 240 2HG ARG 32 2HG ARG 32 6.894 -5.070 -2.134 241 1HD ARG 32 1HD ARG 32 8.798 -6.165 -3.241 242 2HD ARG 32 2HD ARG 32 8.676 -7.527 -2.149 243 HE ARG 32 HE ARG 32 6.927 -6.859 -4.434 244 1HH1 ARG 32 2HH2 ARG 32 7.425 -9.049 -1.693 245 2HH1 ARG 32 1HH2 ARG 32 6.311 -10.234 -2.299 246 1HH2 ARG 32 2HH1 ARG 32 5.381 -8.235 -5.076 247 2HH2 ARG 32 1HH1 ARG 32 4.840 -9.635 -4.164 248 H GLU 33 H GLU 33 9.364 -2.526 1.079 249 HA GLU 33 HA GLU 33 10.874 -3.948 2.923 250 1HB GLU 33 1HB GLU 33 11.964 -2.325 1.660 251 2HB GLU 33 2HB GLU 33 10.555 -1.320 1.590 252 1HG GLU 33 1HG GLU 33 11.641 -0.028 2.679 253 2HG GLU 33 2HG GLU 33 11.056 -0.780 4.136 254 H HIS 34 H HIS 34 8.172 -1.367 3.263 255 HA HIS 34 HA HIS 34 8.775 -1.293 6.091 256 1HB HIS 34 1HB HIS 34 7.718 0.696 5.948 257 2HB HIS 34 2HB HIS 34 8.042 0.494 4.183 258 HD1 HIS 34 1HD HIS 34 6.047 -1.254 3.124 259 HD2 HIS 34 2HD HIS 34 5.349 1.653 6.104 260 HE1 HIS 34 1HE HIS 34 3.574 -0.879 3.165 261 H LEU 35 H LEU 35 6.770 -3.159 4.024 262 HA LEU 35 HA LEU 35 4.941 -4.225 5.974 263 1HB LEU 35 1HB LEU 35 5.984 -5.127 3.252 264 2HB LEU 35 2HB LEU 35 4.903 -6.125 4.191 265 HG LEU 35 HG LEU 35 4.184 -3.245 3.517 266 1HD1 LEU 35 1HD1 LEU 35 2.877 -4.003 1.642 267 2HD1 LEU 35 2HD1 LEU 35 4.552 -4.524 1.384 268 3HD1 LEU 35 3HD1 LEU 35 3.345 -5.689 1.926 269 1HD2 LEU 35 1HD2 LEU 35 2.439 -5.639 4.171 270 2HD2 LEU 35 2HD2 LEU 35 2.959 -4.427 5.337 271 3HD2 LEU 35 3HD2 LEU 35 1.930 -3.967 3.958 272 H LYS 36 H LYS 36 8.194 -5.355 4.665 273 HA LYS 36 HA LYS 36 8.448 -7.555 6.357 274 1HB LYS 36 1HB LYS 36 9.730 -6.854 4.293 275 2HB LYS 36 2HB LYS 36 10.641 -5.746 5.307 276 1HG LYS 36 1HG LYS 36 10.366 -8.673 6.071 277 2HG LYS 36 2HG LYS 36 11.393 -8.178 4.731 278 1HD LYS 36 1HD LYS 36 11.716 -7.074 7.561 279 2HD LYS 36 2HD LYS 36 12.593 -8.486 6.943 280 1HE LYS 36 1HE LYS 36 13.510 -7.148 5.102 281 2HE LYS 36 2HE LYS 36 12.604 -5.730 5.647 282 1HZ LYS 36 1HZ LYS 36 14.658 -7.054 7.329 283 2HZ LYS 36 2HZ LYS 36 14.960 -5.791 6.340 284 3HZ LYS 36 3HZ LYS 36 13.917 -5.602 7.584 285 H ASN 37 H ASN 37 9.254 -4.120 6.881 286 HA ASN 37 HA ASN 37 10.332 -4.407 9.536 287 1HB ASN 37 1HB ASN 37 8.863 -2.085 8.205 288 2HB ASN 37 2HB ASN 37 9.503 -2.021 9.822 289 1HD2 ASN 37 1HD2 ASN 37 10.509 -2.143 6.362 290 2HD2 ASN 37 2HD2 ASN 37 11.893 -1.190 6.806 291 H GLY 38 H GLY 38 7.026 -4.486 8.309 292 1HA GLY 38 1HA GLY 38 5.050 -4.981 9.295 293 2HA GLY 38 2HA GLY 38 5.867 -5.234 10.843 294 H THR 39 H THR 39 5.409 -2.519 8.537 295 HA THR 39 HA THR 39 4.184 -0.792 10.621 296 HB THR 39 HB THR 39 5.806 1.026 9.948 297 HG1 THR 39 1HG THR 39 6.647 -0.917 8.218 298 1HG2 THR 39 1HG2 THR 39 7.387 -1.368 10.964 299 2HG2 THR 39 2HG2 THR 39 7.708 0.347 11.229 300 3HG2 THR 39 3HG2 THR 39 6.290 -0.395 11.981 301 H CYS 40 H CYS 40 2.785 -2.088 8.618 302 HA CYS 40 HA CYS 40 2.043 0.199 6.853 303 1HB CYS 40 1HB CYS 40 3.389 -1.590 5.652 304 2HB CYS 40 2HB CYS 40 2.049 -2.638 5.885 305 HG CYS 40 HG CYS 40 1.422 -2.352 3.724 306 H GLY 41 H GLY 41 -0.103 0.189 6.233 307 1HA GLY 41 1HA GLY 41 -2.026 -1.420 7.752 308 2HA GLY 41 2HA GLY 41 -2.269 0.264 7.455 309 H LEU 42 H LEU 42 -3.901 0.232 6.019 310 HA LEU 42 HA LEU 42 -3.862 -0.839 3.354 311 1HB LEU 42 1HB LEU 42 -4.562 -2.814 4.831 312 2HB LEU 42 2HB LEU 42 -5.903 -1.823 5.392 313 HG LEU 42 HG LEU 42 -6.700 -1.740 2.937 314 1HD1 LEU 42 1HD1 LEU 42 -4.780 -4.107 2.664 315 2HD1 LEU 42 2HD1 LEU 42 -5.938 -3.546 1.437 316 3HD1 LEU 42 3HD1 LEU 42 -4.553 -2.549 1.879 317 1HD2 LEU 42 1HD2 LEU 42 -7.781 -3.122 4.673 318 2HD2 LEU 42 2HD2 LEU 42 -7.782 -3.953 3.122 319 3HD2 LEU 42 3HD2 LEU 42 -6.613 -4.413 4.392 320 H VAL 43 H VAL 43 -5.498 0.257 2.140 321 HA VAL 43 HA VAL 43 -7.398 2.021 3.531 322 HB VAL 43 HB VAL 43 -5.462 2.694 1.333 323 1HG1 VAL 43 1HG1 VAL 43 -7.576 3.074 0.150 324 2HG1 VAL 43 2HG1 VAL 43 -8.216 3.986 1.531 325 3HG1 VAL 43 3HG1 VAL 43 -6.842 4.615 0.597 326 1HG2 VAL 43 1HG2 VAL 43 -5.402 4.838 2.541 327 2HG2 VAL 43 2HG2 VAL 43 -6.752 4.322 3.578 328 3HG2 VAL 43 3HG2 VAL 43 -5.197 3.498 3.681 329 H GLU 44 H GLU 44 -9.390 1.391 3.119 330 HA GLU 44 HA GLU 44 -10.050 -0.707 1.263 331 1HB GLU 44 1HB GLU 44 -11.806 1.406 2.599 332 2HB GLU 44 2HB GLU 44 -12.374 -0.026 1.740 333 1HG GLU 44 1HG GLU 44 -11.132 -1.442 3.451 334 2HG GLU 44 2HG GLU 44 -10.789 0.059 4.337 335 H LEU 45 H LEU 45 -11.005 -0.542 -0.814 336 HA LEU 45 HA LEU 45 -10.582 2.078 -2.107 337 1HB LEU 45 1HB LEU 45 -10.921 -0.753 -3.103 338 2HB LEU 45 2HB LEU 45 -11.300 0.568 -4.209 339 HG LEU 45 HG LEU 45 -8.679 0.571 -2.685 340 1HD1 LEU 45 1HD1 LEU 45 -7.589 -0.508 -4.599 341 2HD1 LEU 45 2HD1 LEU 45 -8.789 -1.579 -3.864 342 3HD1 LEU 45 3HD1 LEU 45 -9.163 -0.741 -5.384 343 1HD2 LEU 45 1HD2 LEU 45 -9.488 2.665 -3.874 344 2HD2 LEU 45 2HD2 LEU 45 -7.966 2.050 -4.486 345 3HD2 LEU 45 3HD2 LEU 45 -9.462 1.760 -5.395 346 H GLU 46 H GLU 46 -11.974 3.496 -2.479 347 HA GLU 46 HA GLU 46 -14.840 2.950 -2.132 348 1HB GLU 46 1HB GLU 46 -12.961 3.834 -0.291 349 2HB GLU 46 2HB GLU 46 -13.518 5.365 -0.969 350 1HG GLU 46 1HG GLU 46 -15.365 3.245 0.175 351 2HG GLU 46 2HG GLU 46 -14.485 4.452 1.114 352 H LYS 47 H LYS 47 -16.004 5.266 -2.616 353 HA LYS 47 HA LYS 47 -15.413 5.893 -5.341 354 1HB LYS 47 1HB LYS 47 -17.643 6.116 -4.321 355 2HB LYS 47 2HB LYS 47 -17.085 7.515 -3.389 356 1HG LYS 47 1HG LYS 47 -16.613 8.766 -5.413 357 2HG LYS 47 2HG LYS 47 -16.806 7.335 -6.423 358 1HD LYS 47 1HD LYS 47 -19.170 7.220 -5.943 359 2HD LYS 47 2HD LYS 47 -19.072 8.618 -4.845 360 1HE LYS 47 1HE LYS 47 -18.861 10.130 -6.580 361 2HE LYS 47 2HE LYS 47 -17.903 9.013 -7.564 362 1HZ LYS 47 1HZ LYS 47 -20.815 8.736 -7.185 363 2HZ LYS 47 2HZ LYS 47 -20.123 9.456 -8.470 364 3HZ LYS 47 3HZ LYS 47 -19.816 7.849 -8.180 365 H GLY 48 H GLY 48 -15.212 8.191 -2.586 366 1HA GLY 48 1HA GLY 48 -13.331 9.807 -4.116 367 2HA GLY 48 2HA GLY 48 -14.044 10.182 -2.552 368 H VAL 49 H VAL 49 -11.999 7.412 -3.698 369 HA VAL 49 HA VAL 49 -10.076 8.077 -1.506 370 HB VAL 49 HB VAL 49 -11.038 5.501 -2.680 371 1HG1 VAL 49 1HG1 VAL 49 -8.260 5.722 -1.449 372 2HG1 VAL 49 2HG1 VAL 49 -9.150 4.215 -1.693 373 3HG1 VAL 49 3HG1 VAL 49 -8.646 5.162 -3.091 374 1HG2 VAL 49 1HG2 VAL 49 -10.080 6.295 0.122 375 2HG2 VAL 49 2HG2 VAL 49 -11.747 6.493 -0.425 376 3HG2 VAL 49 3HG2 VAL 49 -11.022 4.872 -0.292 377 H LEU 50 H LEU 50 -9.925 6.694 -4.815 378 HA LEU 50 HA LEU 50 -7.237 7.243 -5.249 379 1HB LEU 50 1HB LEU 50 -9.696 7.120 -6.994 380 2HB LEU 50 2HB LEU 50 -8.134 7.547 -7.705 381 HG LEU 50 HG LEU 50 -9.126 4.920 -6.732 382 1HD1 LEU 50 1HD1 LEU 50 -7.138 5.667 -8.920 383 2HD1 LEU 50 2HD1 LEU 50 -7.918 4.087 -8.681 384 3HD1 LEU 50 3HD1 LEU 50 -8.893 5.490 -9.140 385 1HD2 LEU 50 1HD2 LEU 50 -6.846 3.945 -6.527 386 2HD2 LEU 50 2HD2 LEU 50 -6.183 5.587 -6.472 387 3HD2 LEU 50 3HD2 LEU 50 -7.280 5.013 -5.198 388 HA PRO 51 HA PRO 51 -7.959 11.616 -6.804 389 1HB PRO 51 1HB PRO 51 -10.113 13.142 -6.210 390 2HB PRO 51 2HB PRO 51 -10.057 12.000 -7.583 391 1HG PRO 51 1HG PRO 51 -11.282 11.566 -4.857 392 2HG PRO 51 2HG PRO 51 -11.979 11.181 -6.462 393 1HD PRO 51 1HD PRO 51 -10.698 9.378 -4.855 394 2HD PRO 51 2HD PRO 51 -10.707 9.192 -6.615 395 H GLN 52 H GLN 52 -8.374 10.529 -3.566 396 HA GLN 52 HA GLN 52 -7.303 13.069 -2.412 397 1HB GLN 52 1HB GLN 52 -8.303 10.595 -0.943 398 2HB GLN 52 2HB GLN 52 -7.843 12.150 -0.250 399 1HG GLN 52 1HG GLN 52 -9.783 13.162 -1.595 400 2HG GLN 52 2HG GLN 52 -10.288 11.508 -1.919 401 1HE2 GLN 52 1HE2 GLN 52 -10.513 10.087 0.070 402 2HE2 GLN 52 2HE2 GLN 52 -11.141 10.765 1.550 403 H LEU 53 H LEU 53 -6.462 9.892 -3.487 404 HA LEU 53 HA LEU 53 -4.064 9.537 -1.763 405 1HB LEU 53 1HB LEU 53 -5.305 8.022 -4.087 406 2HB LEU 53 2HB LEU 53 -3.769 7.611 -3.364 407 HG LEU 53 HG LEU 53 -6.258 6.547 -2.712 408 1HD1 LEU 53 1HD1 LEU 53 -4.260 5.295 -2.416 409 2HD1 LEU 53 2HD1 LEU 53 -3.573 6.494 -1.323 410 3HD1 LEU 53 3HD1 LEU 53 -4.919 5.482 -0.768 411 1HD2 LEU 53 1HD2 LEU 53 -6.823 8.446 -1.197 412 2HD2 LEU 53 2HD2 LEU 53 -6.615 6.910 -0.366 413 3HD2 LEU 53 3HD2 LEU 53 -5.334 8.129 -0.309 414 H GLU 54 H GLU 54 -2.035 9.184 -2.936 415 HA GLU 54 HA GLU 54 -1.372 11.534 -4.546 416 1HB GLU 54 1HB GLU 54 0.258 9.155 -3.543 417 2HB GLU 54 2HB GLU 54 0.889 10.632 -4.274 418 1HG GLU 54 1HG GLU 54 -0.686 11.719 -2.329 419 2HG GLU 54 2HG GLU 54 -0.305 10.191 -1.553 420 H GLN 55 H GLN 55 0.034 8.541 -5.430 421 HA GLN 55 HA GLN 55 -1.515 8.392 -7.921 422 1HB GLN 55 1HB GLN 55 1.094 9.789 -7.673 423 2HB GLN 55 2HB GLN 55 0.897 8.633 -9.038 424 1HG GLN 55 1HG GLN 55 -1.440 10.015 -9.259 425 2HG GLN 55 2HG GLN 55 -0.505 11.254 -8.412 426 1HE2 GLN 55 1HE2 GLN 55 0.032 8.897 -10.998 427 2HE2 GLN 55 2HE2 GLN 55 0.718 9.996 -12.202 428 HA PRO 56 HA PRO 56 1.174 4.643 -8.084 429 1HB PRO 56 1HB PRO 56 3.279 4.090 -6.573 430 2HB PRO 56 2HB PRO 56 3.361 5.124 -8.030 431 1HG PRO 56 1HG PRO 56 3.262 6.037 -5.153 432 2HG PRO 56 2HG PRO 56 4.305 6.618 -6.474 433 1HD PRO 56 1HD PRO 56 1.988 7.911 -5.776 434 2HD PRO 56 2HD PRO 56 2.617 7.884 -7.447 435 H TYR 57 H TYR 57 -0.865 4.285 -7.323 436 HA TYR 57 HA TYR 57 -1.445 3.686 -4.562 437 1HB TYR 57 1HB TYR 57 -3.015 2.655 -6.958 438 2HB TYR 57 2HB TYR 57 -3.606 2.972 -5.334 439 HD1 TYR 57 1HD TYR 57 -2.862 5.673 -4.678 440 HD2 TYR 57 2HD TYR 57 -3.923 4.046 -8.535 441 HE1 TYR 57 1HE TYR 57 -3.416 7.948 -5.511 442 HE2 TYR 57 2HE TYR 57 -4.488 6.338 -9.334 443 HH TYR 57 HH TYR 57 -3.870 9.169 -7.268 444 H VAL 58 H VAL 58 -0.012 2.174 -3.775 445 HA VAL 58 HA VAL 58 0.572 -0.272 -5.154 446 HB VAL 58 HB VAL 58 1.007 0.216 -2.191 447 1HG1 VAL 58 1HG1 VAL 58 2.519 -1.486 -4.237 448 2HG1 VAL 58 2HG1 VAL 58 2.793 -1.430 -2.485 449 3HG1 VAL 58 3HG1 VAL 58 1.303 -2.139 -3.142 450 1HG2 VAL 58 1HG2 VAL 58 2.052 2.080 -3.337 451 2HG2 VAL 58 2HG2 VAL 58 3.305 0.912 -2.902 452 3HG2 VAL 58 3HG2 VAL 58 2.736 1.005 -4.577 453 H PHE 59 H PHE 59 -1.267 -1.343 -5.666 454 HA PHE 59 HA PHE 59 -3.469 -1.854 -3.748 455 1HB PHE 59 1HB PHE 59 -2.902 -2.793 -6.590 456 2HB PHE 59 2HB PHE 59 -4.366 -3.083 -5.716 457 HD1 PHE 59 1HD PHE 59 -5.171 -0.547 -4.603 458 HD2 PHE 59 2HD PHE 59 -3.355 -1.463 -8.389 459 HE1 PHE 59 1HE PHE 59 -6.152 1.517 -5.546 460 HE2 PHE 59 2HE PHE 59 -4.447 0.632 -9.368 461 HZ PHE 59 HZ PHE 59 -5.805 2.088 -7.941 462 H ILE 60 H ILE 60 -4.393 -3.822 -3.519 463 HA ILE 60 HA ILE 60 -2.558 -6.120 -3.721 464 HB ILE 60 HB ILE 60 -3.540 -7.089 -1.774 465 1HG1 ILE 60 1HG1 ILE 60 -5.109 -4.544 -1.350 466 2HG1 ILE 60 2HG1 ILE 60 -5.752 -6.148 -1.744 467 1HG2 ILE 60 1HG2 ILE 60 -1.560 -5.523 -1.724 468 2HG2 ILE 60 2HG2 ILE 60 -2.716 -4.349 -1.008 469 3HG2 ILE 60 3HG2 ILE 60 -2.322 -5.878 -0.172 470 1HD1 ILE 60 1HD1 ILE 60 -4.998 -7.059 0.334 471 2HD1 ILE 60 2HD1 ILE 60 -4.309 -5.482 0.813 472 3HD1 ILE 60 3HD1 ILE 60 -6.056 -5.654 0.597 473 H LYS 61 H LYS 61 -3.309 -7.603 -5.119 474 HA LYS 61 HA LYS 61 -6.271 -7.700 -5.546 475 1HB LYS 61 1HB LYS 61 -5.597 -8.767 -7.804 476 2HB LYS 61 2HB LYS 61 -5.772 -7.019 -7.626 477 1HG LYS 61 1HG LYS 61 -3.515 -6.707 -7.851 478 2HG LYS 61 2HG LYS 61 -3.081 -8.399 -7.461 479 1HD LYS 61 1HD LYS 61 -2.846 -8.023 -9.935 480 2HD LYS 61 2HD LYS 61 -4.140 -9.174 -9.579 481 1HE LYS 61 1HE LYS 61 -5.669 -7.042 -9.660 482 2HE LYS 61 2HE LYS 61 -4.227 -6.263 -10.328 483 1HZ LYS 61 1HZ LYS 61 -5.795 -7.202 -12.064 484 2HZ LYS 61 2HZ LYS 61 -4.327 -7.963 -12.138 485 3HZ LYS 61 3HZ LYS 61 -5.594 -8.706 -11.477 486 H ARG 62 H ARG 62 -7.199 -9.683 -5.581 487 HA ARG 62 HA ARG 62 -5.887 -11.664 -3.947 488 1HB ARG 62 1HB ARG 62 -8.035 -12.789 -4.003 489 2HB ARG 62 2HB ARG 62 -8.184 -11.100 -3.504 490 1HG ARG 62 1HG ARG 62 -9.244 -10.448 -5.504 491 2HG ARG 62 2HG ARG 62 -8.434 -11.715 -6.404 492 1HD ARG 62 1HD ARG 62 -9.926 -13.389 -5.374 493 2HD ARG 62 2HD ARG 62 -10.698 -12.104 -4.426 494 HE ARG 62 HE ARG 62 -10.693 -11.853 -7.369 495 1HH1 ARG 62 2HH2 ARG 62 -12.410 -13.266 -4.630 496 2HH1 ARG 62 1HH2 ARG 62 -13.991 -13.127 -5.302 497 1HH2 ARG 62 2HH1 ARG 62 -12.836 -11.428 -8.231 498 2HH2 ARG 62 1HH1 ARG 62 -14.166 -12.323 -7.571 499 H SER 63 H SER 63 -4.385 -11.639 -5.948 500 HA SER 63 HA SER 63 -3.326 -12.629 -7.647 501 1HB SER 63 1HB SER 63 -3.332 -14.477 -5.915 502 2HB SER 63 2HB SER 63 -4.661 -15.225 -6.818 503 HG SER 63 HG SER 63 -2.586 -16.033 -7.344 504 H ASP 64 H ASP 64 -3.598 -13.889 -9.670 505 HA ASP 64 HA ASP 64 -6.238 -13.544 -10.985 506 1HB ASP 64 1HB ASP 64 -4.476 -11.536 -10.994 507 2HB ASP 64 2HB ASP 64 -3.709 -12.488 -12.256 508 H ALA 65 H ALA 65 -4.299 -15.812 -10.120 509 HA ALA 65 HA ALA 65 -4.325 -17.332 -12.593 510 1HB ALA 65 1HB ALA 65 -1.691 -16.749 -11.165 511 2HB ALA 65 2HB ALA 65 -1.918 -17.881 -12.515 512 3HB ALA 65 3HB ALA 65 -2.147 -16.148 -12.784 513 H LEU 66 H LEU 66 -5.973 -18.019 -11.045 514 HA LEU 66 HA LEU 66 -5.036 -20.404 -9.571 515 1HB LEU 66 1HB LEU 66 -6.862 -18.238 -8.434 516 2HB LEU 66 2HB LEU 66 -6.767 -19.865 -7.772 517 HG LEU 66 HG LEU 66 -4.343 -18.020 -7.962 518 1HD1 LEU 66 1HD1 LEU 66 -4.696 -17.438 -5.662 519 2HD1 LEU 66 2HD1 LEU 66 -6.111 -16.984 -6.630 520 3HD1 LEU 66 3HD1 LEU 66 -6.163 -18.430 -5.581 521 1HD2 LEU 66 1HD2 LEU 66 -3.466 -19.530 -6.166 522 2HD2 LEU 66 2HD2 LEU 66 -4.892 -20.569 -6.359 523 3HD2 LEU 66 3HD2 LEU 66 -3.736 -20.377 -7.689 524 H SER 67 H SER 67 -7.828 -18.401 -10.506 525 HA SER 67 HA SER 67 -9.819 -18.750 -11.315 526 1HB SER 67 1HB SER 67 -8.177 -20.613 -12.887 527 2HB SER 67 2HB SER 67 -9.891 -21.062 -12.806 528 HG SER 67 HG SER 67 -8.763 -18.602 -13.651 529 H THR 68 H THR 68 -8.811 -22.079 -10.184 530 HA THR 68 HA THR 68 -11.162 -22.102 -8.475 531 HB THR 68 HB THR 68 -11.771 -24.452 -9.364 532 HG1 THR 68 1HG THR 68 -10.520 -23.392 -11.685 533 1HG2 THR 68 1HG2 THR 68 -13.153 -22.366 -9.645 534 2HG2 THR 68 2HG2 THR 68 -12.418 -22.146 -11.245 535 3HG2 THR 68 3HG2 THR 68 -13.394 -23.580 -10.895 536 H ASN 69 H ASN 69 -11.046 -24.559 -7.358 537 HA ASN 69 HA ASN 69 -9.988 -25.447 -5.570 538 1HB ASN 69 1HB ASN 69 -9.666 -27.005 -7.408 539 2HB ASN 69 2HB ASN 69 -8.130 -26.224 -7.807 540 1HD2 ASN 69 1HD2 ASN 69 -6.699 -27.980 -7.303 541 2HD2 ASN 69 2HD2 ASN 69 -6.653 -28.703 -5.696 542 H HIS 70 H HIS 70 -9.489 -23.190 -4.717 543 HA HIS 70 HA HIS 70 -6.561 -22.959 -4.266 544 1HB HIS 70 1HB HIS 70 -6.697 -20.558 -4.285 545 2HB HIS 70 2HB HIS 70 -7.180 -21.235 -5.828 546 HD1 HIS 70 1HD HIS 70 -8.178 -18.614 -6.071 547 HD2 HIS 70 2HD HIS 70 -10.186 -21.285 -3.496 548 HE1 HIS 70 1HE HIS 70 -10.433 -17.611 -5.601 549 H GLY 71 H GLY 71 -6.061 -21.747 -2.208 550 1HA GLY 71 1HA GLY 71 -7.787 -22.713 -0.027 551 2HA GLY 71 2HA GLY 71 -6.175 -22.002 0.109 552 H HIS 72 H HIS 72 -6.691 -20.358 1.624 553 HA HIS 72 HA HIS 72 -8.975 -18.611 1.305 554 1HB HIS 72 1HB HIS 72 -6.396 -18.017 2.765 555 2HB HIS 72 2HB HIS 72 -7.895 -17.108 2.911 556 HD1 HIS 72 1HD HIS 72 -9.867 -18.287 4.542 557 HD2 HIS 72 2HD HIS 72 -6.167 -20.220 4.022 558 HE1 HIS 72 1HE HIS 72 -9.653 -19.929 6.447 559 H LYS 73 H LYS 73 -8.575 -16.202 1.062 560 HA LYS 73 HA LYS 73 -7.696 -15.562 -1.548 561 1HB LYS 73 1HB LYS 73 -8.302 -13.739 0.834 562 2HB LYS 73 2HB LYS 73 -7.980 -13.203 -0.808 563 1HG LYS 73 1HG LYS 73 -10.226 -13.234 -0.921 564 2HG LYS 73 2HG LYS 73 -9.908 -14.864 -1.464 565 1HD LYS 73 1HD LYS 73 -11.708 -15.123 -0.007 566 2HD LYS 73 2HD LYS 73 -10.347 -15.617 0.972 567 1HE LYS 73 1HE LYS 73 -11.000 -14.176 2.545 568 2HE LYS 73 2HE LYS 73 -10.565 -12.841 1.478 569 1HZ LYS 73 1HZ LYS 73 -12.896 -12.770 2.300 570 2HZ LYS 73 2HZ LYS 73 -12.851 -12.807 0.685 571 3HZ LYS 73 3HZ LYS 73 -13.238 -14.164 1.532 572 H VAL 74 H VAL 74 -5.686 -16.201 -1.898 573 HA VAL 74 HA VAL 74 -3.313 -14.957 -0.681 574 HB VAL 74 HB VAL 74 -3.679 -16.304 -3.391 575 1HG1 VAL 74 1HG1 VAL 74 -1.751 -14.808 -3.425 576 2HG1 VAL 74 2HG1 VAL 74 -1.185 -15.430 -1.858 577 3HG1 VAL 74 3HG1 VAL 74 -1.173 -16.466 -3.311 578 1HG2 VAL 74 1HG2 VAL 74 -4.048 -17.920 -1.612 579 2HG2 VAL 74 2HG2 VAL 74 -2.471 -18.216 -2.331 580 3HG2 VAL 74 3HG2 VAL 74 -2.576 -17.393 -0.758 581 H VAL 75 H VAL 75 -2.474 -12.956 -1.297 582 HA VAL 75 HA VAL 75 -3.612 -11.718 -3.662 583 HB VAL 75 HB VAL 75 -3.645 -9.493 -2.591 584 1HG1 VAL 75 1HG1 VAL 75 -5.837 -10.080 -2.588 585 2HG1 VAL 75 2HG1 VAL 75 -5.583 -11.618 -1.755 586 3HG1 VAL 75 3HG1 VAL 75 -5.586 -10.133 -0.836 587 1HG2 VAL 75 1HG2 VAL 75 -3.233 -10.934 0.043 588 2HG2 VAL 75 2HG2 VAL 75 -2.066 -9.861 -0.773 589 3HG2 VAL 75 3HG2 VAL 75 -3.613 -9.212 -0.188 590 H GLU 76 H GLU 76 -2.062 -9.656 -4.028 591 HA GLU 76 HA GLU 76 0.690 -10.268 -3.273 592 1HB GLU 76 1HB GLU 76 -0.451 -10.420 -6.078 593 2HB GLU 76 2HB GLU 76 1.050 -9.555 -5.926 594 1HG GLU 76 1HG GLU 76 0.786 -12.402 -4.924 595 2HG GLU 76 2HG GLU 76 1.095 -12.014 -6.609 596 H LEU 77 H LEU 77 1.960 -8.354 -3.868 597 HA LEU 77 HA LEU 77 0.630 -5.735 -3.608 598 1HB LEU 77 1HB LEU 77 3.503 -6.658 -3.924 599 2HB LEU 77 2HB LEU 77 3.023 -4.961 -3.906 600 HG LEU 77 HG LEU 77 2.107 -6.751 -1.634 601 1HD1 LEU 77 1HD1 LEU 77 4.557 -7.097 -1.792 602 2HD1 LEU 77 2HD1 LEU 77 4.771 -5.323 -1.713 603 3HD1 LEU 77 3HD1 LEU 77 4.090 -6.201 -0.338 604 1HD2 LEU 77 1HD2 LEU 77 3.007 -3.840 -1.605 605 2HD2 LEU 77 2HD2 LEU 77 1.345 -4.338 -1.987 606 3HD2 LEU 77 3HD2 LEU 77 2.051 -4.720 -0.398 607 H VAL 78 H VAL 78 0.168 -4.447 -5.324 608 HA VAL 78 HA VAL 78 1.493 -4.812 -7.915 609 HB VAL 78 HB VAL 78 -1.549 -4.292 -7.685 610 1HG1 VAL 78 1HG1 VAL 78 0.000 -4.827 -10.206 611 2HG1 VAL 78 2HG1 VAL 78 -1.746 -4.621 -9.990 612 3HG1 VAL 78 3HG1 VAL 78 -0.663 -3.247 -9.715 613 1HG2 VAL 78 1HG2 VAL 78 0.012 -6.770 -8.348 614 2HG2 VAL 78 2HG2 VAL 78 -1.298 -6.522 -7.165 615 3HG2 VAL 78 3HG2 VAL 78 -1.641 -6.464 -8.916 616 H ALA 79 H ALA 79 1.278 -2.601 -9.062 617 HA ALA 79 HA ALA 79 0.504 -0.369 -7.326 618 1HB ALA 79 1HB ALA 79 2.841 -0.356 -6.748 619 2HB ALA 79 2HB ALA 79 3.301 -0.606 -8.447 620 3HB ALA 79 3HB ALA 79 2.590 0.936 -7.925 621 H GLU 80 H GLU 80 -0.125 1.456 -8.533 622 HA GLU 80 HA GLU 80 -0.117 1.348 -11.461 623 1HB GLU 80 1HB GLU 80 -2.284 0.387 -9.823 624 2HB GLU 80 2HB GLU 80 -2.766 1.948 -10.459 625 1HG GLU 80 1HG GLU 80 -1.754 -0.453 -12.008 626 2HG GLU 80 2HG GLU 80 -3.426 0.129 -11.978 627 H MET 81 H MET 81 0.502 3.399 -11.982 628 HA MET 81 HA MET 81 0.553 5.345 -9.784 629 1HB MET 81 1HB MET 81 1.950 6.669 -11.184 630 2HB MET 81 2HB MET 81 2.570 5.039 -11.021 631 1HG MET 81 1HG MET 81 2.026 4.446 -13.226 632 2HG MET 81 2HG MET 81 0.858 5.750 -13.426 633 1HE MET 81 1HE MET 81 2.503 8.360 -12.398 634 2HE MET 81 2HE MET 81 3.043 8.890 -13.994 635 3HE MET 81 3HE MET 81 1.411 8.203 -13.792 636 H ASP 82 H ASP 82 -1.624 4.664 -12.269 637 HA ASP 82 HA ASP 82 -2.895 7.353 -11.810 638 1HB ASP 82 1HB ASP 82 -1.875 6.911 -14.126 639 2HB ASP 82 2HB ASP 82 -3.201 5.814 -14.384 640 H GLY 83 H GLY 83 -3.126 3.871 -11.919 641 1HA GLY 83 1HA GLY 83 -4.679 2.452 -11.065 642 2HA GLY 83 2HA GLY 83 -5.802 3.789 -10.730 643 H ILE 84 H ILE 84 -4.044 3.124 -13.755 644 HA ILE 84 HA ILE 84 -6.033 3.332 -15.678 645 HB ILE 84 HB ILE 84 -3.458 1.805 -15.384 646 1HG1 ILE 84 1HG1 ILE 84 -4.181 3.900 -17.442 647 2HG1 ILE 84 2HG1 ILE 84 -3.652 4.310 -15.827 648 1HG2 ILE 84 1HG2 ILE 84 -3.594 1.180 -17.846 649 2HG2 ILE 84 2HG2 ILE 84 -4.479 0.196 -16.690 650 3HG2 ILE 84 3HG2 ILE 84 -5.349 1.397 -17.672 651 1HD1 ILE 84 1HD1 ILE 84 -1.730 4.400 -17.289 652 2HD1 ILE 84 2HD1 ILE 84 -1.531 3.048 -16.164 653 3HD1 ILE 84 3HD1 ILE 84 -2.005 2.744 -17.849 654 H GLN 85 H GLN 85 -5.037 0.404 -13.922 655 HA GLN 85 HA GLN 85 -7.694 -0.844 -14.372 656 1HB GLN 85 1HB GLN 85 -4.929 -2.104 -14.634 657 2HB GLN 85 2HB GLN 85 -6.358 -3.084 -14.329 658 1HG GLN 85 1HG GLN 85 -6.231 -1.248 -16.728 659 2HG GLN 85 2HG GLN 85 -5.558 -2.875 -16.737 660 1HE2 GLN 85 1HE2 GLN 85 -6.987 -4.625 -17.227 661 2HE2 GLN 85 2HE2 GLN 85 -8.719 -4.377 -17.300 662 H TYR 86 H TYR 86 -7.599 -2.793 -12.746 663 HA TYR 86 HA TYR 86 -7.446 -3.709 -10.720 664 1HB TYR 86 1HB TYR 86 -5.325 -1.722 -9.930 665 2HB TYR 86 2HB TYR 86 -5.613 -3.309 -9.255 666 HD1 TYR 86 1HD TYR 86 -5.758 -5.034 -11.640 667 HD2 TYR 86 2HD TYR 86 -3.169 -1.743 -10.777 668 HE1 TYR 86 1HE TYR 86 -3.918 -6.095 -12.987 669 HE2 TYR 86 2HE TYR 86 -1.469 -2.618 -12.367 670 HH TYR 86 HH TYR 86 -0.801 -4.525 -13.658 671 H GLY 87 H GLY 87 -7.078 -0.147 -10.115 672 1HA GLY 87 1HA GLY 87 -8.091 -0.102 -7.555 673 2HA GLY 87 2HA GLY 87 -8.240 1.253 -8.682 674 H ARG 88 H ARG 88 -10.087 0.933 -10.335 675 HA ARG 88 HA ARG 88 -12.529 0.658 -8.770 676 1HB ARG 88 1HB ARG 88 -11.879 2.471 -10.544 677 2HB ARG 88 2HB ARG 88 -12.550 1.313 -11.693 678 1HG ARG 88 1HG ARG 88 -14.441 1.239 -9.651 679 2HG ARG 88 2HG ARG 88 -13.879 2.908 -9.510 680 1HD ARG 88 1HD ARG 88 -14.873 1.536 -12.011 681 2HD ARG 88 2HD ARG 88 -15.870 2.529 -10.923 682 HE ARG 88 HE ARG 88 -13.535 3.964 -11.899 683 1HH1 ARG 88 2HH2 ARG 88 -16.869 3.067 -12.753 684 2HH1 ARG 88 1HH2 ARG 88 -17.072 4.365 -13.879 685 1HH2 ARG 88 2HH1 ARG 88 -13.795 5.660 -13.355 686 2HH2 ARG 88 1HH1 ARG 88 -15.259 5.907 -14.235 687 H SER 89 H SER 89 -11.943 -1.727 -8.451 688 HA SER 89 HA SER 89 -13.436 -3.419 -10.336 689 1HB SER 89 1HB SER 89 -10.751 -3.115 -10.718 690 2HB SER 89 2HB SER 89 -10.723 -4.401 -9.500 691 HG SER 89 HG SER 89 -11.260 -4.454 -12.105 692 H GLY 90 H GLY 90 -13.138 -5.836 -9.286 693 1HA GLY 90 1HA GLY 90 -13.795 -5.581 -6.374 694 2HA GLY 90 2HA GLY 90 -14.369 -6.827 -7.478 695 H ILE 91 H ILE 91 -11.752 -7.263 -8.774 696 HA ILE 91 HA ILE 91 -10.540 -9.193 -7.156 697 HB ILE 91 HB ILE 91 -10.181 -9.222 -9.436 698 1HG1 ILE 91 1HG1 ILE 91 -7.504 -8.356 -8.510 699 2HG1 ILE 91 2HG1 ILE 91 -8.226 -9.886 -7.990 700 1HG2 ILE 91 1HG2 ILE 91 -10.420 -6.803 -10.040 701 2HG2 ILE 91 2HG2 ILE 91 -8.801 -6.496 -9.391 702 3HG2 ILE 91 3HG2 ILE 91 -9.040 -7.514 -10.823 703 1HD1 ILE 91 1HD1 ILE 91 -8.332 -10.646 -10.341 704 2HD1 ILE 91 2HD1 ILE 91 -7.548 -9.141 -10.872 705 3HD1 ILE 91 3HD1 ILE 91 -6.678 -10.273 -9.832 706 H THR 92 H THR 92 -10.091 -5.695 -7.100 707 HA THR 92 HA THR 92 -7.613 -6.005 -5.661 708 HB THR 92 HB THR 92 -9.013 -3.473 -6.519 709 HG1 THR 92 1HG THR 92 -8.231 -3.803 -8.394 710 1HG2 THR 92 1HG2 THR 92 -7.142 -3.210 -4.845 711 2HG2 THR 92 2HG2 THR 92 -6.118 -4.159 -5.928 712 3HG2 THR 92 3HG2 THR 92 -6.712 -2.556 -6.442 713 H LEU 93 H LEU 93 -7.573 -5.986 -3.437 714 HA LEU 93 HA LEU 93 -10.172 -5.685 -2.089 715 1HB LEU 93 1HB LEU 93 -7.639 -6.532 -0.765 716 2HB LEU 93 2HB LEU 93 -9.293 -6.829 -0.293 717 HG LEU 93 HG LEU 93 -7.883 -8.090 -2.678 718 1HD1 LEU 93 1HD1 LEU 93 -8.816 -9.163 0.005 719 2HD1 LEU 93 2HD1 LEU 93 -8.008 -10.106 -1.275 720 3HD1 LEU 93 3HD1 LEU 93 -7.151 -8.785 -0.433 721 1HD2 LEU 93 1HD2 LEU 93 -9.913 -9.531 -2.834 722 2HD2 LEU 93 2HD2 LEU 93 -10.718 -8.524 -1.613 723 3HD2 LEU 93 3HD2 LEU 93 -10.284 -7.847 -3.197 724 H GLY 94 H GLY 94 -7.049 -3.898 -2.177 725 1HA GLY 94 1HA GLY 94 -8.240 -1.503 -1.344 726 2HA GLY 94 2HA GLY 94 -7.381 -2.194 0.042 727 H VAL 95 H VAL 95 -6.158 -0.161 -0.351 728 HA VAL 95 HA VAL 95 -3.790 -0.582 -2.104 729 HB VAL 95 HB VAL 95 -5.058 1.968 -1.002 730 1HG1 VAL 95 1HG1 VAL 95 -3.289 3.183 -2.350 731 2HG1 VAL 95 2HG1 VAL 95 -2.646 2.327 -0.963 732 3HG1 VAL 95 3HG1 VAL 95 -2.479 1.628 -2.592 733 1HG2 VAL 95 1HG2 VAL 95 -5.538 2.725 -3.120 734 2HG2 VAL 95 2HG2 VAL 95 -4.562 1.462 -3.868 735 3HG2 VAL 95 3HG2 VAL 95 -6.123 1.054 -3.085 736 H LEU 96 H LEU 96 -1.722 -0.236 -0.909 737 HA LEU 96 HA LEU 96 -1.894 -0.666 2.031 738 1HB LEU 96 1HB LEU 96 0.395 -0.620 0.025 739 2HB LEU 96 2HB LEU 96 0.646 -0.700 1.740 740 HG LEU 96 HG LEU 96 0.960 -2.852 1.078 741 1HD1 LEU 96 1HD1 LEU 96 -2.008 -2.942 1.750 742 2HD1 LEU 96 2HD1 LEU 96 -0.834 -4.267 1.902 743 3HD1 LEU 96 3HD1 LEU 96 -0.689 -2.838 2.931 744 1HD2 LEU 96 1HD2 LEU 96 0.215 -2.509 -1.223 745 2HD2 LEU 96 2HD2 LEU 96 -0.349 -4.042 -0.546 746 3HD2 LEU 96 3HD2 LEU 96 -1.464 -2.657 -0.715 747 H VAL 97 H VAL 97 -0.949 0.796 3.497 748 HA VAL 97 HA VAL 97 0.222 3.301 2.562 749 HB VAL 97 HB VAL 97 -1.214 4.548 4.163 750 1HG1 VAL 97 1HG1 VAL 97 -1.578 4.579 1.677 751 2HG1 VAL 97 2HG1 VAL 97 -2.835 3.347 1.880 752 3HG1 VAL 97 3HG1 VAL 97 -3.028 4.945 2.627 753 1HG2 VAL 97 1HG2 VAL 97 -3.367 3.663 4.934 754 2HG2 VAL 97 2HG2 VAL 97 -3.100 2.137 4.074 755 3HG2 VAL 97 3HG2 VAL 97 -2.109 2.569 5.476 756 HA PRO 98 HA PRO 98 2.634 2.251 6.116 757 1HB PRO 98 1HB PRO 98 2.895 4.985 7.133 758 2HB PRO 98 2HB PRO 98 4.109 3.892 6.382 759 1HG PRO 98 1HG PRO 98 2.892 6.198 5.150 760 2HG PRO 98 2HG PRO 98 3.873 4.941 4.352 761 1HD PRO 98 1HD PRO 98 0.960 5.366 4.309 762 2HD PRO 98 2HD PRO 98 1.978 4.374 3.238 763 H HIS 99 H HIS 99 2.331 1.787 8.283 764 HA HIS 99 HA HIS 99 -0.085 2.895 9.623 765 1HB HIS 99 1HB HIS 99 -0.023 0.490 9.964 766 2HB HIS 99 2HB HIS 99 1.663 0.497 10.258 767 HD1 HIS 99 1HD HIS 99 2.296 0.452 12.727 768 HD2 HIS 99 2HD HIS 99 -1.263 2.619 11.974 769 HE1 HIS 99 1HE HIS 99 1.542 1.385 14.943 770 H VAL 100 H VAL 100 0.358 4.720 10.670 771 HA VAL 100 HA VAL 100 2.873 4.985 12.188 772 HB VAL 100 HB VAL 100 3.418 5.919 10.107 773 1HG1 VAL 100 1HG1 VAL 100 0.984 7.698 10.202 774 2HG1 VAL 100 2HG1 VAL 100 2.278 7.763 8.992 775 3HG1 VAL 100 3HG1 VAL 100 1.237 6.344 9.081 776 1HG2 VAL 100 1HG2 VAL 100 4.109 8.130 10.652 777 2HG2 VAL 100 2HG2 VAL 100 2.833 8.306 11.869 778 3HG2 VAL 100 3HG2 VAL 100 4.157 7.152 12.134 779 H GLY 101 H GLY 101 0.683 4.129 13.378 780 1HA GLY 101 1HA GLY 101 -0.290 4.525 15.368 781 2HA GLY 101 2HA GLY 101 0.476 6.103 15.390 782 H GLU 102 H GLU 102 -1.420 5.877 12.665 783 HA GLU 102 HA GLU 102 -2.900 8.071 13.255 784 1HB GLU 102 1HB GLU 102 -3.364 5.943 11.152 785 2HB GLU 102 2HB GLU 102 -3.950 7.606 11.035 786 1HG GLU 102 1HG GLU 102 -1.060 6.691 11.052 787 2HG GLU 102 2HG GLU 102 -2.027 7.041 9.650 788 H THR 103 H THR 103 -3.680 5.154 14.446 789 HA THR 103 HA THR 103 -5.332 4.246 15.682 790 HB THR 103 HB THR 103 -6.210 7.033 15.627 791 HG1 THR 103 1HG THR 103 -6.137 5.107 17.710 792 1HG2 THR 103 1HG2 THR 103 -8.151 4.845 16.482 793 2HG2 THR 103 2HG2 THR 103 -8.235 6.553 17.011 794 3HG2 THR 103 3HG2 THR 103 -8.446 6.142 15.311 795 HA PRO 104 HA PRO 104 -7.559 2.621 12.129 796 1HB PRO 104 1HB PRO 104 -7.504 -0.031 12.803 797 2HB PRO 104 2HB PRO 104 -6.106 0.866 12.164 798 1HG PRO 104 1HG PRO 104 -6.721 0.162 15.032 799 2HG PRO 104 2HG PRO 104 -5.166 0.027 14.157 800 1HD PRO 104 1HD PRO 104 -5.854 2.161 15.785 801 2HD PRO 104 2HD PRO 104 -4.716 2.301 14.410 802 H ILE 105 H ILE 105 -9.358 1.255 11.782 803 HA ILE 105 HA ILE 105 -11.452 1.365 13.901 804 HB ILE 105 HB ILE 105 -13.034 1.442 11.984 805 1HG1 ILE 105 1HG1 ILE 105 -11.101 0.714 10.294 806 2HG1 ILE 105 2HG1 ILE 105 -12.484 1.645 9.798 807 1HG2 ILE 105 1HG2 ILE 105 -11.128 3.801 12.349 808 2HG2 ILE 105 2HG2 ILE 105 -12.754 3.883 11.640 809 3HG2 ILE 105 3HG2 ILE 105 -12.547 3.406 13.331 810 1HD1 ILE 105 1HD1 ILE 105 -11.204 3.718 9.857 811 2HD1 ILE 105 2HD1 ILE 105 -9.787 2.896 10.492 812 3HD1 ILE 105 3HD1 ILE 105 -10.371 2.521 8.853 813 H ALA 106 H ALA 106 -9.577 -0.762 11.841 814 HA ALA 106 HA ALA 106 -10.674 -3.063 13.093 815 1HB ALA 106 1HB ALA 106 -12.486 -2.722 11.345 816 2HB ALA 106 2HB ALA 106 -11.263 -2.674 10.084 817 3HB ALA 106 3HB ALA 106 -11.548 -4.170 10.988 818 H TYR 107 H TYR 107 -9.803 -5.036 11.558 819 HA TYR 107 HA TYR 107 -7.143 -4.378 10.465 820 1HB TYR 107 1HB TYR 107 -7.784 -6.461 12.560 821 2HB TYR 107 2HB TYR 107 -6.607 -6.822 11.307 822 HD1 TYR 107 1HD TYR 107 -4.391 -6.521 11.788 823 HD2 TYR 107 2HD TYR 107 -7.336 -3.914 13.618 824 HE1 TYR 107 1HE TYR 107 -2.588 -5.324 12.958 825 HE2 TYR 107 2HE TYR 107 -5.517 -2.637 14.690 826 HH TYR 107 HH TYR 107 -2.073 -3.627 14.415 827 H ARG 108 H ARG 108 -6.501 -5.858 8.872 828 HA ARG 108 HA ARG 108 -8.630 -7.507 7.646 829 1HB ARG 108 1HB ARG 108 -8.133 -5.252 6.487 830 2HB ARG 108 2HB ARG 108 -6.554 -5.932 6.099 831 1HG ARG 108 1HG ARG 108 -8.069 -6.144 4.224 832 2HG ARG 108 2HG ARG 108 -7.694 -7.762 4.813 833 1HD ARG 108 1HD ARG 108 -9.879 -7.852 5.936 834 2HD ARG 108 2HD ARG 108 -10.184 -6.167 5.549 835 HE ARG 108 HE ARG 108 -10.634 -6.644 3.371 836 1HH1 ARG 108 2HH2 ARG 108 -9.523 -9.705 4.863 837 2HH1 ARG 108 1HH2 ARG 108 -9.737 -10.619 3.427 838 1HH2 ARG 108 2HH1 ARG 108 -11.270 -7.951 1.612 839 2HH2 ARG 108 1HH1 ARG 108 -10.825 -9.619 1.558 840 H ASN 109 H ASN 109 -7.709 -9.327 6.416 841 HA ASN 109 HA ASN 109 -5.152 -10.374 7.379 842 1HB ASN 109 1HB ASN 109 -6.395 -12.458 7.469 843 2HB ASN 109 2HB ASN 109 -7.132 -11.283 8.546 844 1HD2 ASN 109 1HD2 ASN 109 -8.116 -13.812 6.859 845 2HD2 ASN 109 2HD2 ASN 109 -9.582 -13.185 6.127 846 H VAL 110 H VAL 110 -3.833 -10.995 5.714 847 HA VAL 110 HA VAL 110 -4.917 -11.526 3.016 848 HB VAL 110 HB VAL 110 -3.068 -9.944 2.232 849 1HG1 VAL 110 1HG1 VAL 110 -5.454 -9.455 1.907 850 2HG1 VAL 110 2HG1 VAL 110 -5.549 -8.718 3.520 851 3HG1 VAL 110 3HG1 VAL 110 -4.540 -7.979 2.276 852 1HG2 VAL 110 1HG2 VAL 110 -2.486 -8.016 3.601 853 2HG2 VAL 110 2HG2 VAL 110 -3.499 -8.571 4.943 854 3HG2 VAL 110 3HG2 VAL 110 -2.027 -9.456 4.509 855 H LEU 111 H LEU 111 -3.713 -13.190 2.053 856 HA LEU 111 HA LEU 111 -1.427 -14.246 3.630 857 1HB LEU 111 1HB LEU 111 -3.114 -15.168 1.279 858 2HB LEU 111 2HB LEU 111 -1.499 -15.825 1.389 859 HG LEU 111 HG LEU 111 -3.126 -17.381 2.088 860 1HD1 LEU 111 1HD1 LEU 111 -0.909 -17.243 3.360 861 2HD1 LEU 111 2HD1 LEU 111 -1.855 -16.542 4.678 862 3HD1 LEU 111 3HD1 LEU 111 -2.223 -18.164 4.107 863 1HD2 LEU 111 1HD2 LEU 111 -4.039 -15.333 4.114 864 2HD2 LEU 111 2HD2 LEU 111 -4.933 -15.999 2.716 865 3HD2 LEU 111 3HD2 LEU 111 -4.534 -17.048 4.091 866 H LEU 112 H LEU 112 0.617 -14.586 2.428 867 HA LEU 112 HA LEU 112 1.198 -12.778 0.129 868 1HB LEU 112 1HB LEU 112 1.763 -12.116 2.742 869 2HB LEU 112 2HB LEU 112 3.022 -13.243 2.547 870 HG LEU 112 HG LEU 112 2.928 -10.484 1.808 871 1HD1 LEU 112 1HD1 LEU 112 4.781 -11.636 2.937 872 2HD1 LEU 112 2HD1 LEU 112 5.163 -12.513 1.435 873 3HD1 LEU 112 3HD1 LEU 112 5.342 -10.747 1.517 874 1HD2 LEU 112 1HD2 LEU 112 3.908 -10.390 -0.415 875 2HD2 LEU 112 2HD2 LEU 112 3.685 -12.132 -0.633 876 3HD2 LEU 112 3HD2 LEU 112 2.280 -11.032 -0.502 877 H ARG 113 H ARG 113 2.605 -13.831 -1.318 878 HA ARG 113 HA ARG 113 3.203 -16.621 -1.159 879 1HB ARG 113 1HB ARG 113 4.254 -14.312 -2.795 880 2HB ARG 113 2HB ARG 113 4.993 -15.912 -2.905 881 1HG ARG 113 1HG ARG 113 2.979 -16.944 -3.670 882 2HG ARG 113 2HG ARG 113 2.005 -15.482 -3.358 883 1HD ARG 113 1HD ARG 113 3.074 -14.250 -5.028 884 2HD ARG 113 2HD ARG 113 4.443 -15.370 -5.125 885 HE ARG 113 HE ARG 113 2.554 -17.016 -5.937 886 1HH1 ARG 113 2HH2 ARG 113 3.106 -13.608 -6.908 887 2HH1 ARG 113 1HH2 ARG 113 2.958 -13.943 -8.584 888 1HH2 ARG 113 2HH1 ARG 113 2.465 -17.351 -8.314 889 2HH2 ARG 113 1HH1 ARG 113 2.030 -15.986 -9.277 890 H LYS 114 H LYS 114 4.947 -17.728 -0.421 891 HA LYS 114 HA LYS 114 7.445 -16.388 -0.010 892 1HB LYS 114 1HB LYS 114 6.027 -17.684 2.351 893 2HB LYS 114 2HB LYS 114 7.772 -17.691 2.228 894 1HG LYS 114 1HG LYS 114 7.361 -15.061 1.694 895 2HG LYS 114 2HG LYS 114 5.919 -15.366 2.659 896 1HD LYS 114 1HD LYS 114 7.441 -16.106 4.537 897 2HD LYS 114 2HD LYS 114 8.831 -15.798 3.487 898 1HE LYS 114 1HE LYS 114 8.110 -13.452 3.170 899 2HE LYS 114 2HE LYS 114 6.732 -13.707 4.247 900 1HZ LYS 114 1HZ LYS 114 8.195 -13.893 6.093 901 2HZ LYS 114 2HZ LYS 114 9.541 -14.039 5.121 902 3HZ LYS 114 3HZ LYS 114 8.742 -12.633 5.232 903 H ASN 115 H ASN 115 9.176 -17.938 -0.110 904 HA ASN 115 HA ASN 115 8.616 -20.273 -1.704 905 1HB ASN 115 1HB ASN 115 10.974 -20.962 -1.098 906 2HB ASN 115 2HB ASN 115 10.786 -19.486 -2.026 907 1HD2 ASN 115 1HD2 ASN 115 11.418 -17.508 -1.096 908 2HD2 ASN 115 2HD2 ASN 115 11.999 -17.336 0.542 909 H GLY 116 H GLY 116 9.265 -19.817 1.794 910 1HA GLY 116 1HA GLY 116 7.764 -21.461 3.151 911 2HA GLY 116 2HA GLY 116 8.869 -22.638 2.359 Start of MODEL 12 1 1H GLY 1 H GLY 1 3.202 -24.551 0.438 2 1HA GLY 1 1HA GLY 1 1.300 -23.073 0.571 3 2HA GLY 1 2HA GLY 1 2.219 -22.957 2.090 4 H HIS 2 H HIS 2 1.037 -20.753 2.095 5 HA HIS 2 HA HIS 2 2.706 -18.680 0.729 6 1HB HIS 2 1HB HIS 2 -0.303 -18.786 0.988 7 2HB HIS 2 2HB HIS 2 0.586 -17.310 0.706 8 HD1 HIS 2 1HD HIS 2 2.261 -20.016 -1.279 9 HD2 HIS 2 2HD HIS 2 -0.835 -17.164 -1.635 10 HE1 HIS 2 1HE HIS 2 1.805 -19.752 -3.757 11 H VAL 3 H VAL 3 2.550 -16.619 2.121 12 HA VAL 3 HA VAL 3 2.922 -17.440 4.972 13 HB VAL 3 HB VAL 3 3.679 -14.693 4.283 14 1HG1 VAL 3 1HG1 VAL 3 5.678 -15.144 5.446 15 2HG1 VAL 3 2HG1 VAL 3 4.383 -15.962 6.306 16 3HG1 VAL 3 3HG1 VAL 3 5.483 -16.892 5.261 17 1HG2 VAL 3 1HG2 VAL 3 5.729 -15.157 3.032 18 2HG2 VAL 3 2HG2 VAL 3 5.163 -16.807 2.777 19 3HG2 VAL 3 3HG2 VAL 3 4.267 -15.431 2.091 20 H GLN 4 H GLN 4 1.104 -16.944 6.377 21 HA GLN 4 HA GLN 4 -0.924 -15.152 5.390 22 1HB GLN 4 1HB GLN 4 -1.105 -17.184 7.088 23 2HB GLN 4 2HB GLN 4 -0.740 -15.937 8.300 24 1HG GLN 4 1HG GLN 4 -2.628 -14.576 7.374 25 2HG GLN 4 2HG GLN 4 -2.886 -15.826 6.154 26 1HE2 GLN 4 1HE2 GLN 4 -4.181 -14.689 9.036 27 2HE2 GLN 4 2HE2 GLN 4 -4.994 -16.183 9.470 28 H LEU 5 H LEU 5 -1.384 -13.064 6.030 29 HA LEU 5 HA LEU 5 0.433 -11.638 7.846 30 1HB LEU 5 1HB LEU 5 -0.238 -10.706 5.034 31 2HB LEU 5 2HB LEU 5 0.607 -9.756 6.243 32 HG LEU 5 HG LEU 5 1.681 -12.310 4.969 33 1HD1 LEU 5 1HD1 LEU 5 1.530 -10.418 3.400 34 2HD1 LEU 5 2HD1 LEU 5 2.449 -9.396 4.540 35 3HD1 LEU 5 3HD1 LEU 5 3.219 -10.805 3.791 36 1HD2 LEU 5 1HD2 LEU 5 2.634 -11.980 7.237 37 2HD2 LEU 5 2HD2 LEU 5 3.843 -11.625 6.003 38 3HD2 LEU 5 3HD2 LEU 5 2.998 -10.307 6.841 39 H SER 6 H SER 6 -0.416 -9.574 8.504 40 HA SER 6 HA SER 6 -3.333 -9.224 8.410 41 1HB SER 6 1HB SER 6 -2.698 -8.797 10.964 42 2HB SER 6 2HB SER 6 -3.280 -10.366 10.423 43 HG SER 6 HG SER 6 -1.272 -11.185 10.619 44 H LEU 7 H LEU 7 -3.864 -7.016 8.667 45 HA LEU 7 HA LEU 7 -1.688 -5.119 9.348 46 1HB LEU 7 1HB LEU 7 -3.318 -5.104 6.766 47 2HB LEU 7 2HB LEU 7 -2.471 -3.691 7.341 48 HG LEU 7 HG LEU 7 -1.147 -6.328 6.598 49 1HD1 LEU 7 1HD1 LEU 7 -1.216 -3.640 5.170 50 2HD1 LEU 7 2HD1 LEU 7 -0.305 -5.082 4.667 51 3HD1 LEU 7 3HD1 LEU 7 -2.074 -5.115 4.672 52 1HD2 LEU 7 1HD2 LEU 7 0.984 -5.028 6.784 53 2HD2 LEU 7 2HD2 LEU 7 0.070 -3.618 7.387 54 3HD2 LEU 7 3HD2 LEU 7 0.187 -5.103 8.339 55 HA PRO 8 HA PRO 8 -5.263 -2.895 11.093 56 1HB PRO 8 1HB PRO 8 -4.389 -0.364 11.118 57 2HB PRO 8 2HB PRO 8 -3.740 -1.594 12.224 58 1HG PRO 8 1HG PRO 8 -2.541 -0.567 9.632 59 2HG PRO 8 2HG PRO 8 -1.730 -0.865 11.203 60 1HD PRO 8 1HD PRO 8 -1.687 -2.650 9.114 61 2HD PRO 8 2HD PRO 8 -1.563 -3.122 10.817 62 H VAL 9 H VAL 9 -6.814 -1.211 10.330 63 HA VAL 9 HA VAL 9 -6.610 -0.441 7.485 64 HB VAL 9 HB VAL 9 -9.233 -1.155 8.841 65 1HG1 VAL 9 1HG1 VAL 9 -10.037 -1.114 6.510 66 2HG1 VAL 9 2HG1 VAL 9 -9.341 0.441 6.958 67 3HG1 VAL 9 3HG1 VAL 9 -8.416 -0.673 5.932 68 1HG2 VAL 9 1HG2 VAL 9 -9.211 -3.207 7.382 69 2HG2 VAL 9 2HG2 VAL 9 -7.516 -2.854 6.959 70 3HG2 VAL 9 3HG2 VAL 9 -7.963 -3.259 8.626 71 H LEU 10 H LEU 10 -6.872 1.744 7.262 72 HA LEU 10 HA LEU 10 -7.480 3.367 9.695 73 1HB LEU 10 1HB LEU 10 -5.525 3.863 7.414 74 2HB LEU 10 2HB LEU 10 -5.837 4.993 8.729 75 HG LEU 10 HG LEU 10 -4.875 2.212 9.400 76 1HD1 LEU 10 1HD1 LEU 10 -2.559 2.803 9.190 77 2HD1 LEU 10 2HD1 LEU 10 -3.306 3.121 7.628 78 3HD1 LEU 10 3HD1 LEU 10 -2.948 4.470 8.722 79 1HD2 LEU 10 1HD2 LEU 10 -3.983 3.107 11.338 80 2HD2 LEU 10 2HD2 LEU 10 -4.252 4.793 10.763 81 3HD2 LEU 10 3HD2 LEU 10 -5.613 3.746 11.132 82 H GLN 11 H GLN 11 -8.550 5.476 9.129 83 HA GLN 11 HA GLN 11 -10.243 5.277 6.729 84 1HB GLN 11 1HB GLN 11 -9.909 7.533 8.769 85 2HB GLN 11 2HB GLN 11 -10.910 7.606 7.310 86 1HG GLN 11 1HG GLN 11 -11.816 5.328 8.338 87 2HG GLN 11 2HG GLN 11 -11.373 6.099 9.855 88 1HE2 GLN 11 1HE2 GLN 11 -13.729 5.675 7.589 89 2HE2 GLN 11 2HE2 GLN 11 -14.877 6.844 8.238 90 H VAL 12 H VAL 12 -9.903 6.496 4.850 91 HA VAL 12 HA VAL 12 -7.274 7.114 4.049 92 HB VAL 12 HB VAL 12 -9.130 6.521 2.595 93 1HG1 VAL 12 1HG1 VAL 12 -11.034 7.723 3.643 94 2HG1 VAL 12 2HG1 VAL 12 -10.343 9.268 3.112 95 3HG1 VAL 12 3HG1 VAL 12 -10.884 8.084 1.915 96 1HG2 VAL 12 1HG2 VAL 12 -8.094 9.274 1.865 97 2HG2 VAL 12 2HG2 VAL 12 -7.144 7.790 1.792 98 3HG2 VAL 12 3HG2 VAL 12 -8.582 7.969 0.764 99 H ARG 13 H ARG 13 -9.650 8.979 5.868 100 HA ARG 13 HA ARG 13 -8.397 11.503 5.249 101 1HB ARG 13 1HB ARG 13 -9.783 12.382 7.159 102 2HB ARG 13 2HB ARG 13 -10.655 11.767 5.760 103 1HG ARG 13 1HG ARG 13 -11.581 10.008 6.892 104 2HG ARG 13 2HG ARG 13 -10.192 9.787 7.967 105 1HD ARG 13 1HD ARG 13 -12.023 12.189 8.229 106 2HD ARG 13 2HD ARG 13 -12.355 10.643 9.014 107 HE ARG 13 HE ARG 13 -10.227 10.748 10.174 108 1HH1 ARG 13 2HH2 ARG 13 -10.854 13.858 8.605 109 2HH1 ARG 13 1HH2 ARG 13 -10.519 14.799 10.023 110 1HH2 ARG 13 2HH1 ARG 13 -9.796 11.966 12.030 111 2HH2 ARG 13 1HH1 ARG 13 -9.774 13.722 11.984 112 H ASP 14 H ASP 14 -7.921 9.023 7.734 113 HA ASP 14 HA ASP 14 -6.658 10.811 9.622 114 1HB ASP 14 1HB ASP 14 -6.982 7.801 9.394 115 2HB ASP 14 2HB ASP 14 -5.871 8.501 10.557 116 H VAL 15 H VAL 15 -5.731 8.716 7.021 117 HA VAL 15 HA VAL 15 -2.944 8.638 7.452 118 HB VAL 15 HB VAL 15 -4.459 7.976 4.876 119 1HG1 VAL 15 1HG1 VAL 15 -1.980 7.962 4.767 120 2HG1 VAL 15 2HG1 VAL 15 -1.926 6.765 6.068 121 3HG1 VAL 15 3HG1 VAL 15 -2.695 6.372 4.503 122 1HG2 VAL 15 1HG2 VAL 15 -5.313 6.706 7.075 123 2HG2 VAL 15 2HG2 VAL 15 -4.968 5.800 5.601 124 3HG2 VAL 15 3HG2 VAL 15 -3.807 5.841 6.940 125 H LEU 16 H LEU 16 -2.880 11.004 7.752 126 HA LEU 16 HA LEU 16 -2.816 13.050 5.949 127 1HB LEU 16 1HB LEU 16 -0.580 12.152 7.821 128 2HB LEU 16 2HB LEU 16 -0.635 13.705 7.028 129 HG LEU 16 HG LEU 16 -2.610 12.664 9.067 130 1HD1 LEU 16 1HD1 LEU 16 -0.377 13.391 9.903 131 2HD1 LEU 16 2HD1 LEU 16 -0.648 14.980 9.159 132 3HD1 LEU 16 3HD1 LEU 16 -1.687 14.407 10.495 133 1HD2 LEU 16 1HD2 LEU 16 -3.947 13.975 7.613 134 2HD2 LEU 16 2HD2 LEU 16 -3.528 15.070 8.919 135 3HD2 LEU 16 3HD2 LEU 16 -2.664 15.187 7.378 136 H VAL 17 H VAL 17 -0.360 10.406 5.928 137 HA VAL 17 HA VAL 17 0.299 11.281 3.205 138 HB VAL 17 HB VAL 17 2.113 12.060 4.519 139 1HG1 VAL 17 1HG1 VAL 17 2.624 9.213 5.464 140 2HG1 VAL 17 2HG1 VAL 17 3.649 10.620 5.744 141 3HG1 VAL 17 3HG1 VAL 17 2.038 10.564 6.480 142 1HG2 VAL 17 1HG2 VAL 17 2.539 11.188 2.245 143 2HG2 VAL 17 2HG2 VAL 17 3.936 11.025 3.313 144 3HG2 VAL 17 3HG2 VAL 17 2.955 9.600 2.940 145 H ARG 18 H ARG 18 -0.564 9.892 1.942 146 HA ARG 18 HA ARG 18 -1.128 7.118 2.797 147 1HB ARG 18 1HB ARG 18 -1.905 8.190 0.147 148 2HB ARG 18 2HB ARG 18 -2.514 6.850 1.134 149 1HG ARG 18 1HG ARG 18 -4.172 8.410 1.568 150 2HG ARG 18 2HG ARG 18 -3.076 8.725 2.889 151 1HD ARG 18 1HD ARG 18 -1.970 10.334 1.063 152 2HD ARG 18 2HD ARG 18 -3.535 10.240 0.338 153 HE ARG 18 HE ARG 18 -3.788 10.894 3.093 154 1HH1 ARG 18 2HH2 ARG 18 -2.433 12.378 0.179 155 2HH1 ARG 18 1HH2 ARG 18 -2.923 13.991 0.574 156 1HH2 ARG 18 2HH1 ARG 18 -4.553 12.999 3.576 157 2HH2 ARG 18 1HH1 ARG 18 -4.086 14.385 2.647 158 H GLY 19 H GLY 19 1.309 8.831 1.022 159 1HA GLY 19 1HA GLY 19 1.865 6.748 -0.921 160 2HA GLY 19 2HA GLY 19 2.665 8.314 -0.710 161 H PHE 20 H PHE 20 3.546 5.293 -0.684 162 HA PHE 20 HA PHE 20 5.605 5.680 1.413 163 1HB PHE 20 1HB PHE 20 5.542 3.779 -0.883 164 2HB PHE 20 2HB PHE 20 6.630 3.787 0.516 165 HD1 PHE 20 1HD PHE 20 5.033 3.986 2.838 166 HD2 PHE 20 2HD PHE 20 4.276 1.869 -0.805 167 HE1 PHE 20 1HE PHE 20 3.556 2.387 4.045 168 HE2 PHE 20 2HE PHE 20 2.727 0.329 0.390 169 HZ PHE 20 HZ PHE 20 2.367 0.619 2.850 170 H GLY 21 H GLY 21 4.944 6.708 -1.817 171 1HA GLY 21 1HA GLY 21 7.678 7.752 -2.238 172 2HA GLY 21 2HA GLY 21 7.132 6.410 -3.264 173 H ASP 22 H ASP 22 7.604 8.032 -4.932 174 HA ASP 22 HA ASP 22 5.154 9.574 -5.594 175 1HB ASP 22 1HB ASP 22 7.607 10.752 -4.798 176 2HB ASP 22 2HB ASP 22 7.560 10.929 -6.550 177 H SER 23 H SER 23 7.052 7.064 -6.535 178 HA SER 23 HA SER 23 5.959 7.232 -9.229 179 1HB SER 23 1HB SER 23 8.771 6.216 -8.674 180 2HB SER 23 2HB SER 23 7.934 6.140 -10.218 181 HG SER 23 HG SER 23 8.847 8.439 -8.788 182 H VAL 24 H VAL 24 5.487 4.861 -10.042 183 HA VAL 24 HA VAL 24 4.347 3.391 -8.046 184 HB VAL 24 HB VAL 24 4.001 1.761 -9.696 185 1HG1 VAL 24 1HG1 VAL 24 2.795 3.007 -11.285 186 2HG1 VAL 24 2HG1 VAL 24 2.729 3.840 -9.723 187 3HG1 VAL 24 3HG1 VAL 24 3.828 4.432 -11.004 188 1HG2 VAL 24 1HG2 VAL 24 6.045 3.156 -11.401 189 2HG2 VAL 24 2HG2 VAL 24 5.987 1.444 -10.887 190 3HG2 VAL 24 3HG2 VAL 24 4.807 2.055 -12.056 191 H GLU 25 H GLU 25 7.494 2.768 -9.622 192 HA GLU 25 HA GLU 25 7.638 0.323 -8.236 193 1HB GLU 25 1HB GLU 25 9.546 1.944 -9.904 194 2HB GLU 25 2HB GLU 25 10.089 0.416 -9.137 195 1HG GLU 25 1HG GLU 25 7.759 -0.426 -10.263 196 2HG GLU 25 2HG GLU 25 8.151 0.866 -11.391 197 H GLU 26 H GLU 26 8.635 3.526 -7.451 198 HA GLU 26 HA GLU 26 10.431 3.001 -5.268 199 1HB GLU 26 1HB GLU 26 8.481 5.348 -5.740 200 2HB GLU 26 2HB GLU 26 9.711 5.267 -4.495 201 1HG GLU 26 1HG GLU 26 10.266 5.255 -7.453 202 2HG GLU 26 2HG GLU 26 10.571 6.560 -6.314 203 H ALA 27 H ALA 27 6.941 3.768 -5.309 204 HA ALA 27 HA ALA 27 6.590 3.301 -2.519 205 1HB ALA 27 1HB ALA 27 4.190 3.373 -3.035 206 2HB ALA 27 2HB ALA 27 5.037 4.627 -3.948 207 3HB ALA 27 3HB ALA 27 4.521 3.140 -4.774 208 H LEU 28 H LEU 28 6.307 1.120 -5.388 209 HA LEU 28 HA LEU 28 5.318 -1.102 -3.925 210 1HB LEU 28 1HB LEU 28 5.869 -0.570 -6.583 211 2HB LEU 28 2HB LEU 28 7.124 -1.725 -6.209 212 HG LEU 28 HG LEU 28 4.106 -2.037 -5.867 213 1HD1 LEU 28 1HD1 LEU 28 6.095 -3.411 -7.713 214 2HD1 LEU 28 2HD1 LEU 28 4.350 -3.750 -7.638 215 3HD1 LEU 28 3HD1 LEU 28 4.923 -2.173 -8.190 216 1HD2 LEU 28 1HD2 LEU 28 4.980 -3.337 -4.092 217 2HD2 LEU 28 2HD2 LEU 28 4.629 -4.464 -5.406 218 3HD2 LEU 28 3HD2 LEU 28 6.305 -3.951 -5.102 219 H SER 29 H SER 29 8.725 -0.034 -4.478 220 HA SER 29 HA SER 29 9.993 -2.342 -3.306 221 1HB SER 29 1HB SER 29 10.822 0.547 -3.721 222 2HB SER 29 2HB SER 29 11.710 -0.444 -2.574 223 HG SER 29 HG SER 29 12.746 -0.838 -4.395 224 H GLU 30 H GLU 30 9.117 0.870 -1.946 225 HA GLU 30 HA GLU 30 9.870 0.287 0.717 226 1HB GLU 30 1HB GLU 30 7.558 2.025 -0.308 227 2HB GLU 30 2HB GLU 30 8.274 2.131 1.300 228 1HG GLU 30 1HG GLU 30 9.416 2.918 -1.346 229 2HG GLU 30 2HG GLU 30 9.079 3.947 0.034 230 H ALA 31 H ALA 31 6.705 -0.233 -0.945 231 HA ALA 31 HA ALA 31 5.159 -1.013 1.223 232 1HB ALA 31 1HB ALA 31 4.350 -0.704 -1.045 233 2HB ALA 31 2HB ALA 31 5.098 -2.237 -1.544 234 3HB ALA 31 3HB ALA 31 3.794 -2.231 -0.317 235 H ARG 32 H ARG 32 7.170 -3.160 -0.768 236 HA ARG 32 HA ARG 32 6.690 -5.517 0.810 237 1HB ARG 32 1HB ARG 32 9.087 -4.790 -0.916 238 2HB ARG 32 2HB ARG 32 8.661 -6.430 -0.435 239 1HG ARG 32 1HG ARG 32 6.841 -6.528 -1.935 240 2HG ARG 32 2HG ARG 32 6.711 -4.772 -2.087 241 1HD ARG 32 1HD ARG 32 7.651 -5.465 -4.119 242 2HD ARG 32 2HD ARG 32 8.956 -4.726 -3.201 243 HE ARG 32 HE ARG 32 10.084 -6.702 -3.226 244 1HH1 ARG 32 2HH2 ARG 32 6.827 -7.395 -4.375 245 2HH1 ARG 32 1HH2 ARG 32 6.981 -9.117 -4.316 246 1HH2 ARG 32 2HH1 ARG 32 10.440 -8.903 -3.616 247 2HH2 ARG 32 1HH1 ARG 32 9.142 -10.028 -3.852 248 H GLU 33 H GLU 33 8.656 -2.757 1.396 249 HA GLU 33 HA GLU 33 10.293 -4.091 3.364 250 1HB GLU 33 1HB GLU 33 10.344 -1.513 1.859 251 2HB GLU 33 2HB GLU 33 10.828 -1.366 3.562 252 1HG GLU 33 1HG GLU 33 12.599 -2.704 3.302 253 2HG GLU 33 2HG GLU 33 11.899 -3.651 1.990 254 H HIS 34 H HIS 34 7.638 -1.560 3.430 255 HA HIS 34 HA HIS 34 7.904 -1.283 6.314 256 1HB HIS 34 1HB HIS 34 5.607 -0.553 4.505 257 2HB HIS 34 2HB HIS 34 5.691 -0.243 6.214 258 HD1 HIS 34 1HD HIS 34 8.863 0.779 4.153 259 HD2 HIS 34 2HD HIS 34 5.206 2.276 5.695 260 HE1 HIS 34 1HE HIS 34 8.906 3.238 3.813 261 H LEU 35 H LEU 35 6.131 -3.288 4.018 262 HA LEU 35 HA LEU 35 4.163 -4.329 5.635 263 1HB LEU 35 1HB LEU 35 5.791 -5.510 3.353 264 2HB LEU 35 2HB LEU 35 4.612 -6.516 4.180 265 HG LEU 35 HG LEU 35 3.810 -3.794 3.119 266 1HD1 LEU 35 1HD1 LEU 35 2.914 -4.856 1.152 267 2HD1 LEU 35 2HD1 LEU 35 4.649 -5.122 1.185 268 3HD1 LEU 35 3HD1 LEU 35 3.569 -6.451 1.647 269 1HD2 LEU 35 1HD2 LEU 35 2.435 -5.178 4.778 270 2HD2 LEU 35 2HD2 LEU 35 1.662 -4.531 3.315 271 3HD2 LEU 35 3HD2 LEU 35 2.114 -6.274 3.436 272 H LYS 36 H LYS 36 7.377 -5.755 4.981 273 HA LYS 36 HA LYS 36 7.300 -7.768 6.951 274 1HB LYS 36 1HB LYS 36 8.598 -7.609 4.811 275 2HB LYS 36 2HB LYS 36 9.703 -6.490 5.573 276 1HG LYS 36 1HG LYS 36 9.108 -9.315 6.533 277 2HG LYS 36 2HG LYS 36 10.376 -8.953 5.377 278 1HD LYS 36 1HD LYS 36 10.310 -8.216 8.304 279 2HD LYS 36 2HD LYS 36 11.447 -9.259 7.486 280 1HE LYS 36 1HE LYS 36 11.173 -6.258 6.980 281 2HE LYS 36 2HE LYS 36 12.325 -6.984 8.089 282 1HZ LYS 36 1HZ LYS 36 12.345 -7.766 5.253 283 2HZ LYS 36 2HZ LYS 36 13.125 -6.430 5.812 284 3HZ LYS 36 3HZ LYS 36 13.538 -7.893 6.390 285 H ASN 37 H ASN 37 8.584 -4.445 6.999 286 HA ASN 37 HA ASN 37 9.758 -4.503 9.620 287 1HB ASN 37 1HB ASN 37 8.443 -2.231 8.094 288 2HB ASN 37 2HB ASN 37 9.297 -2.027 9.604 289 1HD2 ASN 37 1HD2 ASN 37 9.787 -1.369 6.435 290 2HD2 ASN 37 2HD2 ASN 37 11.510 -1.433 6.471 291 H GLY 38 H GLY 38 6.357 -4.491 8.595 292 1HA GLY 38 1HA GLY 38 4.512 -4.847 9.906 293 2HA GLY 38 2HA GLY 38 5.441 -4.521 11.370 294 H THR 39 H THR 39 5.917 -2.074 8.903 295 HA THR 39 HA THR 39 4.346 -0.162 10.620 296 HB THR 39 HB THR 39 6.225 1.392 9.889 297 HG1 THR 39 1HG THR 39 8.011 0.480 8.871 298 1HG2 THR 39 1HG2 THR 39 7.362 -1.138 11.154 299 2HG2 THR 39 2HG2 THR 39 8.062 0.474 11.196 300 3HG2 THR 39 3HG2 THR 39 6.530 0.165 12.041 301 H CYS 40 H CYS 40 3.082 -1.577 8.569 302 HA CYS 40 HA CYS 40 2.543 0.658 6.673 303 1HB CYS 40 1HB CYS 40 2.909 -0.718 4.855 304 2HB CYS 40 2HB CYS 40 3.869 -1.654 5.954 305 HG CYS 40 HG CYS 40 2.022 -3.220 6.797 306 H GLY 41 H GLY 41 0.265 0.404 5.834 307 1HA GLY 41 1HA GLY 41 -1.476 -1.262 7.461 308 2HA GLY 41 2HA GLY 41 -1.774 0.456 7.492 309 H LEU 42 H LEU 42 -3.799 -0.797 6.486 310 HA LEU 42 HA LEU 42 -3.764 -0.740 3.501 311 1HB LEU 42 1HB LEU 42 -4.335 -2.959 4.697 312 2HB LEU 42 2HB LEU 42 -5.687 -2.121 5.438 313 HG LEU 42 HG LEU 42 -6.564 -1.666 3.067 314 1HD1 LEU 42 1HD1 LEU 42 -4.405 -3.715 2.405 315 2HD1 LEU 42 2HD1 LEU 42 -5.708 -3.211 1.305 316 3HD1 LEU 42 3HD1 LEU 42 -4.488 -2.052 1.814 317 1HD2 LEU 42 1HD2 LEU 42 -6.317 -4.561 3.979 318 2HD2 LEU 42 2HD2 LEU 42 -7.523 -3.401 4.544 319 3HD2 LEU 42 3HD2 LEU 42 -7.530 -3.907 2.850 320 H VAL 43 H VAL 43 -5.281 0.534 2.510 321 HA VAL 43 HA VAL 43 -7.466 1.785 4.084 322 HB VAL 43 HB VAL 43 -5.619 2.939 1.972 323 1HG1 VAL 43 1HG1 VAL 43 -8.369 4.041 2.732 324 2HG1 VAL 43 2HG1 VAL 43 -7.132 4.925 1.814 325 3HG1 VAL 43 3HG1 VAL 43 -7.865 3.480 1.126 326 1HG2 VAL 43 1HG2 VAL 43 -5.090 3.286 4.385 327 2HG2 VAL 43 2HG2 VAL 43 -5.448 4.805 3.552 328 3HG2 VAL 43 3HG2 VAL 43 -6.661 4.062 4.617 329 H GLU 44 H GLU 44 -9.473 1.385 3.136 330 HA GLU 44 HA GLU 44 -9.469 -0.704 1.046 331 1HB GLU 44 1HB GLU 44 -11.725 0.527 2.653 332 2HB GLU 44 2HB GLU 44 -11.883 -0.822 1.521 333 1HG GLU 44 1HG GLU 44 -10.368 -2.182 2.933 334 2HG GLU 44 2HG GLU 44 -10.189 -0.828 4.052 335 H LEU 45 H LEU 45 -10.872 -0.483 -0.858 336 HA LEU 45 HA LEU 45 -10.308 2.152 -2.037 337 1HB LEU 45 1HB LEU 45 -10.721 -0.619 -3.107 338 2HB LEU 45 2HB LEU 45 -11.062 0.730 -4.180 339 HG LEU 45 HG LEU 45 -8.436 0.565 -2.678 340 1HD1 LEU 45 1HD1 LEU 45 -7.472 -0.379 -4.727 341 2HD1 LEU 45 2HD1 LEU 45 -8.713 -1.449 -4.065 342 3HD1 LEU 45 3HD1 LEU 45 -9.086 -0.435 -5.479 343 1HD2 LEU 45 1HD2 LEU 45 -7.708 2.118 -4.474 344 2HD2 LEU 45 2HD2 LEU 45 -9.340 2.082 -5.174 345 3HD2 LEU 45 3HD2 LEU 45 -9.046 2.805 -3.583 346 H GLU 46 H GLU 46 -11.912 3.369 -1.051 347 HA GLU 46 HA GLU 46 -14.668 2.843 -1.673 348 1HB GLU 46 1HB GLU 46 -13.470 5.495 -0.871 349 2HB GLU 46 2HB GLU 46 -15.155 5.043 -0.738 350 1HG GLU 46 1HG GLU 46 -14.733 3.478 1.018 351 2HG GLU 46 2HG GLU 46 -12.978 3.603 0.818 352 H LYS 47 H LYS 47 -16.029 4.324 -2.846 353 HA LYS 47 HA LYS 47 -15.580 4.874 -5.496 354 1HB LYS 47 1HB LYS 47 -17.741 4.859 -4.135 355 2HB LYS 47 2HB LYS 47 -17.308 6.447 -3.533 356 1HG LYS 47 1HG LYS 47 -18.845 6.860 -5.242 357 2HG LYS 47 2HG LYS 47 -17.283 7.223 -5.970 358 1HD LYS 47 1HD LYS 47 -17.361 4.795 -6.903 359 2HD LYS 47 2HD LYS 47 -19.040 4.778 -6.363 360 1HE LYS 47 1HE LYS 47 -19.404 6.910 -7.690 361 2HE LYS 47 2HE LYS 47 -17.796 6.682 -8.379 362 1HZ LYS 47 1HZ LYS 47 -18.530 4.594 -9.297 363 2HZ LYS 47 2HZ LYS 47 -20.009 4.716 -8.596 364 3HZ LYS 47 3HZ LYS 47 -19.554 5.782 -9.770 365 H GLY 48 H GLY 48 -14.861 7.027 -2.740 366 1HA GLY 48 1HA GLY 48 -13.841 9.136 -4.561 367 2HA GLY 48 2HA GLY 48 -14.462 9.352 -2.933 368 H VAL 49 H VAL 49 -12.329 6.572 -3.185 369 HA VAL 49 HA VAL 49 -10.480 8.001 -1.450 370 HB VAL 49 HB VAL 49 -11.021 5.219 -2.340 371 1HG1 VAL 49 1HG1 VAL 49 -9.023 4.201 -1.314 372 2HG1 VAL 49 2HG1 VAL 49 -8.623 5.109 -2.777 373 3HG1 VAL 49 3HG1 VAL 49 -8.292 5.802 -1.176 374 1HG2 VAL 49 1HG2 VAL 49 -11.027 4.777 0.059 375 2HG2 VAL 49 2HG2 VAL 49 -10.055 6.204 0.391 376 3HG2 VAL 49 3HG2 VAL 49 -11.726 6.407 -0.100 377 H LEU 50 H LEU 50 -10.080 6.577 -4.714 378 HA LEU 50 HA LEU 50 -7.330 7.132 -4.890 379 1HB LEU 50 1HB LEU 50 -9.587 6.953 -6.865 380 2HB LEU 50 2HB LEU 50 -7.983 7.448 -7.420 381 HG LEU 50 HG LEU 50 -8.918 4.770 -6.459 382 1HD1 LEU 50 1HD1 LEU 50 -7.553 4.033 -8.426 383 2HD1 LEU 50 2HD1 LEU 50 -8.769 5.268 -8.852 384 3HD1 LEU 50 3HD1 LEU 50 -7.061 5.701 -8.681 385 1HD2 LEU 50 1HD2 LEU 50 -6.533 3.961 -6.297 386 2HD2 LEU 50 2HD2 LEU 50 -6.038 5.652 -6.192 387 3HD2 LEU 50 3HD2 LEU 50 -7.076 4.948 -4.937 388 HA PRO 51 HA PRO 51 -8.027 11.584 -6.344 389 1HB PRO 51 1HB PRO 51 -10.392 12.896 -6.021 390 2HB PRO 51 2HB PRO 51 -10.017 11.867 -7.429 391 1HG PRO 51 1HG PRO 51 -11.724 11.222 -5.048 392 2HG PRO 51 2HG PRO 51 -11.955 10.765 -6.763 393 1HD PRO 51 1HD PRO 51 -10.776 9.247 -4.707 394 2HD PRO 51 2HD PRO 51 -10.701 8.797 -6.395 395 H GLN 52 H GLN 52 -8.243 10.181 -3.428 396 HA GLN 52 HA GLN 52 -7.573 12.661 -1.967 397 1HB GLN 52 1HB GLN 52 -8.981 10.199 -0.833 398 2HB GLN 52 2HB GLN 52 -8.393 11.583 0.090 399 1HG GLN 52 1HG GLN 52 -9.937 13.061 -1.146 400 2HG GLN 52 2HG GLN 52 -10.571 11.688 -2.028 401 1HE2 GLN 52 1HE2 GLN 52 -12.208 10.532 -1.110 402 2HE2 GLN 52 2HE2 GLN 52 -12.868 10.850 0.507 403 H LEU 53 H LEU 53 -6.419 9.772 -3.294 404 HA LEU 53 HA LEU 53 -4.268 9.236 -1.296 405 1HB LEU 53 1HB LEU 53 -5.429 7.817 -3.694 406 2HB LEU 53 2HB LEU 53 -3.823 7.449 -3.139 407 HG LEU 53 HG LEU 53 -6.023 6.130 -2.309 408 1HD1 LEU 53 1HD1 LEU 53 -3.739 5.390 -1.835 409 2HD1 LEU 53 2HD1 LEU 53 -3.540 6.673 -0.658 410 3HD1 LEU 53 3HD1 LEU 53 -4.668 5.359 -0.314 411 1HD2 LEU 53 1HD2 LEU 53 -5.575 8.082 -0.034 412 2HD2 LEU 53 2HD2 LEU 53 -7.022 7.961 -1.015 413 3HD2 LEU 53 3HD2 LEU 53 -6.542 6.606 0.000 414 H GLU 54 H GLU 54 -2.141 8.754 -2.634 415 HA GLU 54 HA GLU 54 -1.177 11.291 -3.653 416 1HB GLU 54 1HB GLU 54 0.858 9.734 -4.111 417 2HB GLU 54 2HB GLU 54 0.555 10.780 -2.759 418 1HG GLU 54 1HG GLU 54 1.251 8.746 -2.208 419 2HG GLU 54 2HG GLU 54 -0.247 9.101 -1.373 420 H GLN 55 H GLN 55 -0.413 8.210 -5.181 421 HA GLN 55 HA GLN 55 -1.680 8.636 -7.670 422 1HB GLN 55 1HB GLN 55 0.935 10.014 -7.216 423 2HB GLN 55 2HB GLN 55 0.813 9.000 -8.675 424 1HG GLN 55 1HG GLN 55 -1.554 10.555 -8.683 425 2HG GLN 55 2HG GLN 55 -0.302 11.655 -8.117 426 1HE2 GLN 55 1HE2 GLN 55 -0.860 9.136 -10.656 427 2HE2 GLN 55 2HE2 GLN 55 -0.007 9.978 -11.918 428 HA PRO 56 HA PRO 56 1.187 5.018 -8.158 429 1HB PRO 56 1HB PRO 56 3.408 4.481 -6.709 430 2HB PRO 56 2HB PRO 56 3.355 5.569 -8.129 431 1HG PRO 56 1HG PRO 56 3.564 6.337 -5.250 432 2HG PRO 56 2HG PRO 56 4.243 7.100 -6.683 433 1HD PRO 56 1HD PRO 56 1.880 8.015 -5.512 434 2HD PRO 56 2HD PRO 56 2.410 8.303 -7.206 435 H TYR 57 H TYR 57 -0.864 4.529 -7.238 436 HA TYR 57 HA TYR 57 -1.174 3.845 -4.512 437 1HB TYR 57 1HB TYR 57 -2.965 2.737 -6.696 438 2HB TYR 57 2HB TYR 57 -3.391 3.212 -5.067 439 HD1 TYR 57 1HD TYR 57 -3.726 4.037 -8.420 440 HD2 TYR 57 2HD TYR 57 -2.825 5.906 -4.627 441 HE1 TYR 57 1HE TYR 57 -4.504 6.191 -9.315 442 HE2 TYR 57 2HE TYR 57 -3.667 8.083 -5.500 443 HH TYR 57 HH TYR 57 -4.290 8.653 -8.834 444 H VAL 58 H VAL 58 0.114 2.215 -3.711 445 HA VAL 58 HA VAL 58 0.701 -0.191 -5.133 446 HB VAL 58 HB VAL 58 0.974 0.337 -2.154 447 1HG1 VAL 58 1HG1 VAL 58 2.529 -1.605 -3.931 448 2HG1 VAL 58 2HG1 VAL 58 2.545 -1.477 -2.161 449 3HG1 VAL 58 3HG1 VAL 58 1.122 -2.101 -2.974 450 1HG2 VAL 58 1HG2 VAL 58 2.224 2.042 -3.362 451 2HG2 VAL 58 2HG2 VAL 58 3.347 0.853 -2.702 452 3HG2 VAL 58 3HG2 VAL 58 2.946 0.821 -4.432 453 H PHE 59 H PHE 59 -1.129 -1.353 -5.752 454 HA PHE 59 HA PHE 59 -3.380 -1.751 -3.856 455 1HB PHE 59 1HB PHE 59 -2.868 -2.692 -6.712 456 2HB PHE 59 2HB PHE 59 -4.312 -2.974 -5.807 457 HD1 PHE 59 1HD PHE 59 -4.938 -0.310 -4.635 458 HD2 PHE 59 2HD PHE 59 -3.497 -1.380 -8.539 459 HE1 PHE 59 1HE PHE 59 -5.905 1.768 -5.579 460 HE2 PHE 59 2HE PHE 59 -4.539 0.673 -9.500 461 HZ PHE 59 HZ PHE 59 -5.756 2.238 -8.017 462 H ILE 60 H ILE 60 -4.318 -3.617 -3.454 463 HA ILE 60 HA ILE 60 -2.674 -6.055 -3.751 464 HB ILE 60 HB ILE 60 -3.597 -6.947 -1.798 465 1HG1 ILE 60 1HG1 ILE 60 -5.082 -4.358 -1.267 466 2HG1 ILE 60 2HG1 ILE 60 -5.801 -5.922 -1.671 467 1HG2 ILE 60 1HG2 ILE 60 -1.563 -5.462 -1.769 468 2HG2 ILE 60 2HG2 ILE 60 -2.657 -4.209 -1.118 469 3HG2 ILE 60 3HG2 ILE 60 -2.332 -5.701 -0.197 470 1HD1 ILE 60 1HD1 ILE 60 -6.021 -5.476 0.690 471 2HD1 ILE 60 2HD1 ILE 60 -5.018 -6.910 0.398 472 3HD1 ILE 60 3HD1 ILE 60 -4.264 -5.364 0.861 473 H LYS 61 H LYS 61 -3.475 -7.224 -5.322 474 HA LYS 61 HA LYS 61 -6.436 -7.325 -5.673 475 1HB LYS 61 1HB LYS 61 -5.522 -8.485 -7.944 476 2HB LYS 61 2HB LYS 61 -5.996 -6.784 -7.823 477 1HG LYS 61 1HG LYS 61 -3.708 -6.111 -7.636 478 2HG LYS 61 2HG LYS 61 -3.163 -7.786 -7.474 479 1HD LYS 61 1HD LYS 61 -4.687 -7.565 -9.939 480 2HD LYS 61 2HD LYS 61 -3.511 -6.226 -9.841 481 1HE LYS 61 1HE LYS 61 -1.685 -7.671 -9.515 482 2HE LYS 61 2HE LYS 61 -2.781 -9.073 -9.260 483 1HZ LYS 61 1HZ LYS 61 -3.420 -8.636 -11.698 484 2HZ LYS 61 2HZ LYS 61 -1.956 -7.821 -11.784 485 3HZ LYS 61 3HZ LYS 61 -2.013 -9.381 -11.400 486 H ARG 62 H ARG 62 -7.424 -9.257 -5.599 487 HA ARG 62 HA ARG 62 -5.894 -11.260 -4.192 488 1HB ARG 62 1HB ARG 62 -7.798 -12.264 -3.618 489 2HB ARG 62 2HB ARG 62 -8.361 -10.617 -3.831 490 1HG ARG 62 1HG ARG 62 -9.227 -11.359 -6.152 491 2HG ARG 62 2HG ARG 62 -8.742 -13.000 -5.616 492 1HD ARG 62 1HD ARG 62 -10.195 -12.443 -3.490 493 2HD ARG 62 2HD ARG 62 -10.904 -11.182 -4.517 494 HE ARG 62 HE ARG 62 -10.924 -13.645 -5.930 495 1HH1 ARG 62 2HH2 ARG 62 -12.718 -12.112 -3.221 496 2HH1 ARG 62 1HH2 ARG 62 -13.962 -13.334 -3.272 497 1HH2 ARG 62 2HH1 ARG 62 -12.612 -15.001 -6.064 498 2HH2 ARG 62 1HH1 ARG 62 -13.987 -14.955 -4.989 499 H SER 63 H SER 63 -4.326 -12.172 -5.204 500 HA SER 63 HA SER 63 -3.863 -13.056 -7.709 501 1HB SER 63 1HB SER 63 -3.502 -14.436 -5.062 502 2HB SER 63 2HB SER 63 -2.811 -15.046 -6.569 503 HG SER 63 HG SER 63 -1.953 -12.730 -6.755 504 H ASP 64 H ASP 64 -5.021 -14.212 -9.100 505 HA ASP 64 HA ASP 64 -7.420 -15.678 -8.488 506 1HB ASP 64 1HB ASP 64 -7.080 -14.212 -10.461 507 2HB ASP 64 2HB ASP 64 -5.844 -15.312 -11.071 508 H ALA 65 H ALA 65 -5.722 -16.849 -7.031 509 HA ALA 65 HA ALA 65 -4.495 -18.668 -6.399 510 1HB ALA 65 1HB ALA 65 -6.897 -19.842 -7.729 511 2HB ALA 65 2HB ALA 65 -5.945 -20.601 -6.433 512 3HB ALA 65 3HB ALA 65 -6.833 -19.072 -6.121 513 H LEU 66 H LEU 66 -2.740 -18.380 -7.715 514 HA LEU 66 HA LEU 66 -2.602 -19.864 -10.216 515 1HB LEU 66 1HB LEU 66 -0.578 -17.922 -9.063 516 2HB LEU 66 2HB LEU 66 -0.647 -18.600 -10.698 517 HG LEU 66 HG LEU 66 -3.220 -17.601 -10.491 518 1HD1 LEU 66 1HD1 LEU 66 -3.052 -15.330 -9.541 519 2HD1 LEU 66 2HD1 LEU 66 -2.850 -16.586 -8.315 520 3HD1 LEU 66 3HD1 LEU 66 -1.430 -15.696 -8.923 521 1HD2 LEU 66 1HD2 LEU 66 -1.707 -17.168 -12.365 522 2HD2 LEU 66 2HD2 LEU 66 -2.429 -15.656 -11.815 523 3HD2 LEU 66 3HD2 LEU 66 -0.750 -16.044 -11.363 524 H SER 67 H SER 67 0.579 -19.881 -9.247 525 HA SER 67 HA SER 67 0.565 -22.628 -8.410 526 1HB SER 67 1HB SER 67 3.029 -22.101 -8.025 527 2HB SER 67 2HB SER 67 2.399 -21.927 -9.663 528 HG SER 67 HG SER 67 3.778 -20.232 -8.953 529 H THR 68 H THR 68 -0.941 -22.492 -6.619 530 HA THR 68 HA THR 68 0.378 -21.765 -4.061 531 HB THR 68 HB THR 68 -1.270 -20.021 -4.848 532 HG1 THR 68 1HG THR 68 -1.039 -19.804 -2.847 533 1HG2 THR 68 1HG2 THR 68 -3.029 -21.492 -5.811 534 2HG2 THR 68 2HG2 THR 68 -3.393 -22.115 -4.191 535 3HG2 THR 68 3HG2 THR 68 -3.657 -20.405 -4.562 536 H ASN 69 H ASN 69 -1.292 -22.739 -2.264 537 HA ASN 69 HA ASN 69 -1.687 -25.630 -3.004 538 1HB ASN 69 1HB ASN 69 -0.602 -24.747 -0.305 539 2HB ASN 69 2HB ASN 69 -0.841 -26.388 -0.894 540 1HD2 ASN 69 1HD2 ASN 69 0.671 -27.199 -2.590 541 2HD2 ASN 69 2HD2 ASN 69 2.144 -26.332 -2.976 542 H HIS 70 H HIS 70 -2.369 -23.187 -0.400 543 HA HIS 70 HA HIS 70 -5.143 -23.222 -0.948 544 1HB HIS 70 1HB HIS 70 -4.307 -25.144 0.995 545 2HB HIS 70 2HB HIS 70 -4.789 -23.754 1.944 546 HD1 HIS 70 1HD HIS 70 -7.250 -24.290 2.783 547 HD2 HIS 70 2HD HIS 70 -6.448 -25.350 -1.242 548 HE1 HIS 70 1HE HIS 70 -9.421 -25.132 1.811 549 H GLY 71 H GLY 71 -6.114 -21.431 0.528 550 1HA GLY 71 1HA GLY 71 -4.759 -20.206 2.556 551 2HA GLY 71 2HA GLY 71 -4.144 -19.381 1.114 552 H HIS 72 H HIS 72 -5.897 -18.589 3.391 553 HA HIS 72 HA HIS 72 -8.562 -18.055 2.589 554 1HB HIS 72 1HB HIS 72 -6.637 -16.978 4.688 555 2HB HIS 72 2HB HIS 72 -8.254 -16.330 4.501 556 HD1 HIS 72 1HD HIS 72 -10.049 -17.486 5.918 557 HD2 HIS 72 2HD HIS 72 -6.767 -19.960 4.948 558 HE1 HIS 72 1HE HIS 72 -10.478 -19.755 6.998 559 H LYS 73 H LYS 73 -8.577 -17.197 0.550 560 HA LYS 73 HA LYS 73 -8.265 -15.787 -1.201 561 1HB LYS 73 1HB LYS 73 -9.286 -13.860 0.914 562 2HB LYS 73 2HB LYS 73 -9.130 -13.483 -0.814 563 1HG LYS 73 1HG LYS 73 -10.490 -15.648 -1.239 564 2HG LYS 73 2HG LYS 73 -10.928 -15.586 0.473 565 1HD LYS 73 1HD LYS 73 -11.326 -13.319 -1.526 566 2HD LYS 73 2HD LYS 73 -12.557 -14.533 -1.151 567 1HE LYS 73 1HE LYS 73 -12.465 -13.852 1.256 568 2HE LYS 73 2HE LYS 73 -11.319 -12.571 0.823 569 1HZ LYS 73 1HZ LYS 73 -13.056 -11.660 -0.642 570 2HZ LYS 73 2HZ LYS 73 -14.123 -12.808 -0.096 571 3HZ LYS 73 3HZ LYS 73 -13.532 -11.707 0.925 572 H VAL 74 H VAL 74 -6.080 -16.180 -1.349 573 HA VAL 74 HA VAL 74 -4.149 -14.524 -0.016 574 HB VAL 74 HB VAL 74 -2.533 -15.818 -1.052 575 1HG1 VAL 74 1HG1 VAL 74 -4.290 -17.179 0.346 576 2HG1 VAL 74 2HG1 VAL 74 -4.802 -17.842 -1.199 577 3HG1 VAL 74 3HG1 VAL 74 -3.130 -18.080 -0.661 578 1HG2 VAL 74 1HG2 VAL 74 -3.012 -15.567 -3.376 579 2HG2 VAL 74 2HG2 VAL 74 -2.836 -17.279 -3.012 580 3HG2 VAL 74 3HG2 VAL 74 -4.470 -16.580 -3.263 581 H VAL 75 H VAL 75 -2.779 -12.817 -0.970 582 HA VAL 75 HA VAL 75 -3.835 -11.687 -3.479 583 HB VAL 75 HB VAL 75 -4.163 -9.545 -2.714 584 1HG1 VAL 75 1HG1 VAL 75 -6.005 -9.665 -1.383 585 2HG1 VAL 75 2HG1 VAL 75 -6.028 -11.233 -2.175 586 3HG1 VAL 75 3HG1 VAL 75 -5.478 -11.119 -0.500 587 1HG2 VAL 75 1HG2 VAL 75 -3.955 -8.838 -0.356 588 2HG2 VAL 75 2HG2 VAL 75 -3.012 -10.330 -0.042 589 3HG2 VAL 75 3HG2 VAL 75 -2.415 -9.109 -1.178 590 H GLU 76 H GLU 76 -2.324 -9.620 -3.948 591 HA GLU 76 HA GLU 76 0.485 -10.436 -3.460 592 1HB GLU 76 1HB GLU 76 0.982 -10.274 -5.757 593 2HB GLU 76 2HB GLU 76 -0.223 -11.526 -5.454 594 1HG GLU 76 1HG GLU 76 -2.005 -9.964 -6.243 595 2HG GLU 76 2HG GLU 76 -0.737 -8.808 -6.705 596 H LEU 77 H LEU 77 1.765 -8.455 -4.887 597 HA LEU 77 HA LEU 77 0.626 -5.844 -3.997 598 1HB LEU 77 1HB LEU 77 3.505 -6.828 -4.084 599 2HB LEU 77 2HB LEU 77 3.064 -5.137 -3.926 600 HG LEU 77 HG LEU 77 1.972 -7.120 -1.956 601 1HD1 LEU 77 1HD1 LEU 77 4.526 -7.334 -2.115 602 2HD1 LEU 77 2HD1 LEU 77 4.586 -5.659 -1.526 603 3HD1 LEU 77 3HD1 LEU 77 3.851 -6.939 -0.530 604 1HD2 LEU 77 1HD2 LEU 77 1.168 -4.683 -2.117 605 2HD2 LEU 77 2HD2 LEU 77 1.674 -5.287 -0.539 606 3HD2 LEU 77 3HD2 LEU 77 2.774 -4.248 -1.471 607 H VAL 78 H VAL 78 0.667 -4.233 -5.490 608 HA VAL 78 HA VAL 78 1.894 -4.560 -8.130 609 HB VAL 78 HB VAL 78 -1.074 -3.977 -7.614 610 1HG1 VAL 78 1HG1 VAL 78 -1.507 -4.389 -9.905 611 2HG1 VAL 78 2HG1 VAL 78 -0.304 -3.094 -9.792 612 3HG1 VAL 78 3HG1 VAL 78 0.194 -4.748 -10.238 613 1HG2 VAL 78 1HG2 VAL 78 -1.605 -6.090 -8.542 614 2HG2 VAL 78 2HG2 VAL 78 0.096 -6.596 -8.456 615 3HG2 VAL 78 3HG2 VAL 78 -0.846 -6.244 -6.980 616 H ALA 79 H ALA 79 1.642 -2.238 -9.142 617 HA ALA 79 HA ALA 79 0.853 -0.129 -7.340 618 1HB ALA 79 1HB ALA 79 2.888 1.255 -7.605 619 2HB ALA 79 2HB ALA 79 3.204 -0.200 -6.671 620 3HB ALA 79 3HB ALA 79 3.728 -0.120 -8.362 621 H GLU 80 H GLU 80 0.205 1.761 -8.514 622 HA GLU 80 HA GLU 80 0.194 1.645 -11.432 623 1HB GLU 80 1HB GLU 80 -1.913 0.358 -9.946 624 2HB GLU 80 2HB GLU 80 -2.542 1.878 -10.508 625 1HG GLU 80 1HG GLU 80 -1.347 -0.364 -12.163 626 2HG GLU 80 2HG GLU 80 -3.015 0.206 -12.185 627 H MET 81 H MET 81 0.578 3.805 -11.924 628 HA MET 81 HA MET 81 0.202 5.768 -9.818 629 1HB MET 81 1HB MET 81 1.217 7.356 -11.289 630 2HB MET 81 2HB MET 81 2.196 5.923 -11.141 631 1HG MET 81 1HG MET 81 2.092 5.470 -13.357 632 2HG MET 81 2HG MET 81 0.352 5.741 -13.434 633 1HE MET 81 1HE MET 81 3.161 8.296 -12.221 634 2HE MET 81 2HE MET 81 3.894 7.344 -13.540 635 3HE MET 81 3HE MET 81 3.543 9.065 -13.780 636 H ASP 82 H ASP 82 -1.796 4.689 -12.401 637 HA ASP 82 HA ASP 82 -3.499 7.149 -12.123 638 1HB ASP 82 1HB ASP 82 -2.236 6.281 -14.438 639 2HB ASP 82 2HB ASP 82 -3.825 5.553 -14.597 640 H GLY 83 H GLY 83 -3.177 3.719 -12.034 641 1HA GLY 83 1HA GLY 83 -4.489 2.095 -11.171 642 2HA GLY 83 2HA GLY 83 -5.859 3.211 -10.967 643 H ILE 84 H ILE 84 -3.838 2.621 -13.842 644 HA ILE 84 HA ILE 84 -5.554 2.550 -15.944 645 HB ILE 84 HB ILE 84 -3.212 0.739 -15.288 646 1HG1 ILE 84 1HG1 ILE 84 -2.856 3.239 -15.699 647 2HG1 ILE 84 2HG1 ILE 84 -1.837 2.096 -16.560 648 1HG2 ILE 84 1HG2 ILE 84 -4.283 -0.670 -16.814 649 2HG2 ILE 84 2HG2 ILE 84 -4.752 0.669 -17.882 650 3HG2 ILE 84 3HG2 ILE 84 -3.049 0.162 -17.747 651 1HD1 ILE 84 1HD1 ILE 84 -3.108 2.406 -18.624 652 2HD1 ILE 84 2HD1 ILE 84 -4.267 3.461 -17.780 653 3HD1 ILE 84 3HD1 ILE 84 -2.570 3.958 -17.987 654 H GLN 85 H GLN 85 -4.878 -0.209 -13.835 655 HA GLN 85 HA GLN 85 -7.472 -1.452 -14.407 656 1HB GLN 85 1HB GLN 85 -4.704 -2.679 -14.825 657 2HB GLN 85 2HB GLN 85 -6.057 -3.712 -14.415 658 1HG GLN 85 1HG GLN 85 -6.109 -1.841 -16.800 659 2HG GLN 85 2HG GLN 85 -5.587 -3.518 -16.878 660 1HE2 GLN 85 1HE2 GLN 85 -7.194 -5.211 -16.743 661 2HE2 GLN 85 2HE2 GLN 85 -8.889 -4.765 -16.934 662 H TYR 86 H TYR 86 -7.396 -3.485 -12.846 663 HA TYR 86 HA TYR 86 -7.339 -4.393 -10.832 664 1HB TYR 86 1HB TYR 86 -5.259 -2.495 -9.780 665 2HB TYR 86 2HB TYR 86 -5.529 -4.176 -9.398 666 HD1 TYR 86 1HD TYR 86 -3.384 -1.951 -11.039 667 HD2 TYR 86 2HD TYR 86 -5.295 -5.773 -11.639 668 HE1 TYR 86 1HE TYR 86 -1.498 -2.668 -12.474 669 HE2 TYR 86 2HE TYR 86 -3.361 -6.529 -12.977 670 HH TYR 86 HH TYR 86 -0.729 -5.759 -12.975 671 H GLY 87 H GLY 87 -6.747 -0.909 -10.121 672 1HA GLY 87 1HA GLY 87 -7.856 -0.784 -7.616 673 2HA GLY 87 2HA GLY 87 -7.835 0.574 -8.741 674 H ARG 88 H ARG 88 -9.615 0.210 -10.585 675 HA ARG 88 HA ARG 88 -12.145 0.288 -9.127 676 1HB ARG 88 1HB ARG 88 -11.074 1.604 -11.382 677 2HB ARG 88 2HB ARG 88 -12.283 0.529 -12.069 678 1HG ARG 88 1HG ARG 88 -13.345 2.625 -11.583 679 2HG ARG 88 2HG ARG 88 -13.944 1.461 -10.398 680 1HD ARG 88 1HD ARG 88 -11.584 2.635 -9.261 681 2HD ARG 88 2HD ARG 88 -12.460 3.957 -10.007 682 HE ARG 88 HE ARG 88 -14.332 3.565 -8.644 683 1HH1 ARG 88 2HH2 ARG 88 -11.455 1.832 -7.395 684 2HH1 ARG 88 1HH2 ARG 88 -12.395 0.979 -6.197 685 1HH2 ARG 88 2HH1 ARG 88 -15.417 2.704 -6.893 686 2HH2 ARG 88 1HH1 ARG 88 -14.593 1.857 -5.648 687 H SER 89 H SER 89 -10.480 -2.266 -10.571 688 HA SER 89 HA SER 89 -12.423 -3.454 -12.196 689 1HB SER 89 1HB SER 89 -9.913 -3.732 -12.117 690 2HB SER 89 2HB SER 89 -10.129 -4.811 -10.742 691 HG SER 89 HG SER 89 -11.252 -6.235 -12.039 692 H GLY 90 H GLY 90 -11.814 -3.983 -8.664 693 1HA GLY 90 1HA GLY 90 -13.796 -4.670 -7.385 694 2HA GLY 90 2HA GLY 90 -14.127 -5.877 -8.624 695 H ILE 91 H ILE 91 -11.504 -6.853 -9.074 696 HA ILE 91 HA ILE 91 -10.912 -8.748 -7.136 697 HB ILE 91 HB ILE 91 -10.187 -8.826 -9.399 698 1HG1 ILE 91 1HG1 ILE 91 -7.742 -8.822 -7.694 699 2HG1 ILE 91 2HG1 ILE 91 -8.911 -10.144 -7.876 700 1HG2 ILE 91 1HG2 ILE 91 -9.492 -6.202 -9.398 701 2HG2 ILE 91 2HG2 ILE 91 -7.905 -6.875 -9.061 702 3HG2 ILE 91 3HG2 ILE 91 -8.767 -7.353 -10.535 703 1HD1 ILE 91 1HD1 ILE 91 -8.375 -10.241 -10.314 704 2HD1 ILE 91 2HD1 ILE 91 -7.106 -9.010 -10.064 705 3HD1 ILE 91 3HD1 ILE 91 -6.996 -10.573 -9.265 706 H THR 92 H THR 92 -10.219 -5.345 -6.954 707 HA THR 92 HA THR 92 -7.802 -5.791 -5.396 708 HB THR 92 HB THR 92 -8.861 -3.243 -6.646 709 HG1 THR 92 1HG THR 92 -8.189 -4.093 -8.384 710 1HG2 THR 92 1HG2 THR 92 -6.082 -4.084 -5.801 711 2HG2 THR 92 2HG2 THR 92 -6.560 -2.499 -6.454 712 3HG2 THR 92 3HG2 THR 92 -7.085 -2.999 -4.829 713 H LEU 93 H LEU 93 -7.740 -5.608 -3.314 714 HA LEU 93 HA LEU 93 -10.277 -5.141 -1.934 715 1HB LEU 93 1HB LEU 93 -7.754 -6.130 -0.673 716 2HB LEU 93 2HB LEU 93 -9.411 -6.362 -0.158 717 HG LEU 93 HG LEU 93 -8.087 -7.581 -2.632 718 1HD1 LEU 93 1HD1 LEU 93 -9.126 -8.869 -0.105 719 2HD1 LEU 93 2HD1 LEU 93 -8.231 -9.645 -1.456 720 3HD1 LEU 93 3HD1 LEU 93 -7.423 -8.449 -0.419 721 1HD2 LEU 93 1HD2 LEU 93 -10.481 -7.210 -3.132 722 2HD2 LEU 93 2HD2 LEU 93 -10.157 -8.920 -2.882 723 3HD2 LEU 93 3HD2 LEU 93 -10.937 -7.966 -1.594 724 H GLY 94 H GLY 94 -7.022 -3.580 -2.088 725 1HA GLY 94 1HA GLY 94 -8.056 -1.130 -1.122 726 2HA GLY 94 2HA GLY 94 -7.190 -1.964 0.178 727 H VAL 95 H VAL 95 -5.888 0.046 -0.124 728 HA VAL 95 HA VAL 95 -3.535 -0.411 -1.880 729 HB VAL 95 HB VAL 95 -4.818 2.227 -1.040 730 1HG1 VAL 95 1HG1 VAL 95 -2.384 2.514 -1.105 731 2HG1 VAL 95 2HG1 VAL 95 -2.308 1.684 -2.681 732 3HG1 VAL 95 3HG1 VAL 95 -3.056 3.290 -2.533 733 1HG2 VAL 95 1HG2 VAL 95 -5.421 2.815 -3.132 734 2HG2 VAL 95 2HG2 VAL 95 -4.417 1.579 -3.866 735 3HG2 VAL 95 3HG2 VAL 95 -5.941 1.121 -3.026 736 H LEU 96 H LEU 96 -1.630 -0.202 -0.889 737 HA LEU 96 HA LEU 96 -1.648 -0.369 2.047 738 1HB LEU 96 1HB LEU 96 0.506 -0.576 -0.107 739 2HB LEU 96 2HB LEU 96 0.859 -0.396 1.579 740 HG LEU 96 HG LEU 96 1.162 -2.640 1.167 741 1HD1 LEU 96 1HD1 LEU 96 -0.082 -2.224 3.275 742 2HD1 LEU 96 2HD1 LEU 96 -1.618 -2.497 2.426 743 3HD1 LEU 96 3HD1 LEU 96 -0.442 -3.808 2.567 744 1HD2 LEU 96 1HD2 LEU 96 -0.449 -4.087 0.101 745 2HD2 LEU 96 2HD2 LEU 96 -1.587 -2.716 -0.070 746 3HD2 LEU 96 3HD2 LEU 96 -0.063 -2.728 -0.970 747 H VAL 97 H VAL 97 -0.845 1.132 3.389 748 HA VAL 97 HA VAL 97 0.291 3.665 2.356 749 HB VAL 97 HB VAL 97 -1.106 4.904 3.925 750 1HG1 VAL 97 1HG1 VAL 97 -2.919 3.257 2.108 751 2HG1 VAL 97 2HG1 VAL 97 -3.177 4.913 2.684 752 3HG1 VAL 97 3HG1 VAL 97 -1.868 4.570 1.548 753 1HG2 VAL 97 1HG2 VAL 97 -2.701 2.343 4.406 754 2HG2 VAL 97 2HG2 VAL 97 -1.589 3.082 5.579 755 3HG2 VAL 97 3HG2 VAL 97 -3.023 3.959 5.076 756 HA PRO 98 HA PRO 98 2.879 2.884 5.938 757 1HB PRO 98 1HB PRO 98 3.140 5.595 6.844 758 2HB PRO 98 2HB PRO 98 4.282 4.583 5.906 759 1HG PRO 98 1HG PRO 98 2.677 6.815 4.944 760 2HG PRO 98 2HG PRO 98 3.863 5.828 4.045 761 1HD PRO 98 1HD PRO 98 0.975 5.790 3.897 762 2HD PRO 98 2HD PRO 98 2.154 4.873 2.935 763 H HIS 99 H HIS 99 2.565 2.455 8.100 764 HA HIS 99 HA HIS 99 0.159 3.643 9.395 765 1HB HIS 99 1HB HIS 99 0.300 1.096 9.259 766 2HB HIS 99 2HB HIS 99 1.729 1.136 10.190 767 HD1 HIS 99 1HD HIS 99 0.618 -0.127 12.247 768 HD2 HIS 99 2HD HIS 99 -1.272 3.461 11.087 769 HE1 HIS 99 1HE HIS 99 -1.111 0.420 14.059 770 H VAL 100 H VAL 100 0.919 5.531 10.449 771 HA VAL 100 HA VAL 100 3.431 5.203 12.021 772 HB VAL 100 HB VAL 100 3.517 7.511 12.363 773 1HG1 VAL 100 1HG1 VAL 100 4.323 6.607 10.183 774 2HG1 VAL 100 2HG1 VAL 100 2.767 7.040 9.441 775 3HG1 VAL 100 3HG1 VAL 100 3.822 8.305 10.091 776 1HG2 VAL 100 1HG2 VAL 100 1.144 8.140 12.627 777 2HG2 VAL 100 2HG2 VAL 100 1.961 9.143 11.436 778 3HG2 VAL 100 3HG2 VAL 100 0.878 7.848 10.901 779 H GLY 101 H GLY 101 1.362 3.496 12.791 780 1HA GLY 101 1HA GLY 101 0.267 2.807 14.680 781 2HA GLY 101 2HA GLY 101 1.110 4.085 15.543 782 H GLU 102 H GLU 102 -0.588 5.393 13.027 783 HA GLU 102 HA GLU 102 -1.716 7.400 14.318 784 1HB GLU 102 1HB GLU 102 -1.334 6.880 11.858 785 2HB GLU 102 2HB GLU 102 -2.913 6.149 11.837 786 1HG GLU 102 1HG GLU 102 -3.798 8.166 11.382 787 2HG GLU 102 2HG GLU 102 -3.262 8.762 12.953 788 H THR 103 H THR 103 -4.358 5.505 12.959 789 HA THR 103 HA THR 103 -5.570 4.887 15.503 790 HB THR 103 HB THR 103 -6.335 7.430 14.036 791 HG1 THR 103 1HG THR 103 -4.924 7.266 15.918 792 1HG2 THR 103 1HG2 THR 103 -8.315 7.538 15.528 793 2HG2 THR 103 2HG2 THR 103 -8.451 6.285 14.301 794 3HG2 THR 103 3HG2 THR 103 -8.027 5.811 15.954 795 HA PRO 104 HA PRO 104 -7.125 2.580 11.853 796 1HB PRO 104 1HB PRO 104 -7.022 0.045 12.895 797 2HB PRO 104 2HB PRO 104 -5.663 0.914 12.133 798 1HG PRO 104 1HG PRO 104 -6.166 0.435 15.041 799 2HG PRO 104 2HG PRO 104 -4.607 0.506 14.170 800 1HD PRO 104 1HD PRO 104 -5.775 2.606 15.667 801 2HD PRO 104 2HD PRO 104 -4.467 2.806 14.470 802 H ILE 105 H ILE 105 -9.053 1.360 11.518 803 HA ILE 105 HA ILE 105 -11.063 1.572 13.718 804 HB ILE 105 HB ILE 105 -12.779 1.505 11.977 805 1HG1 ILE 105 1HG1 ILE 105 -11.100 0.555 10.166 806 2HG1 ILE 105 2HG1 ILE 105 -12.504 1.475 9.729 807 1HG2 ILE 105 1HG2 ILE 105 -12.209 3.587 13.022 808 2HG2 ILE 105 2HG2 ILE 105 -10.907 3.892 11.853 809 3HG2 ILE 105 3HG2 ILE 105 -12.605 3.870 11.322 810 1HD1 ILE 105 1HD1 ILE 105 -9.749 2.717 9.998 811 2HD1 ILE 105 2HD1 ILE 105 -10.430 2.080 8.482 812 3HD1 ILE 105 3HD1 ILE 105 -11.207 3.444 9.302 813 H ALA 106 H ALA 106 -9.281 -0.651 11.689 814 HA ALA 106 HA ALA 106 -10.570 -2.937 12.819 815 1HB ALA 106 1HB ALA 106 -12.274 -2.305 11.076 816 2HB ALA 106 2HB ALA 106 -10.994 -2.351 9.834 817 3HB ALA 106 3HB ALA 106 -11.489 -3.826 10.677 818 H TYR 107 H TYR 107 -9.718 -4.948 11.352 819 HA TYR 107 HA TYR 107 -6.936 -4.433 10.448 820 1HB TYR 107 1HB TYR 107 -7.819 -6.170 12.741 821 2HB TYR 107 2HB TYR 107 -6.623 -6.833 11.653 822 HD1 TYR 107 1HD TYR 107 -7.236 -3.582 13.526 823 HD2 TYR 107 2HD TYR 107 -4.386 -6.527 12.141 824 HE1 TYR 107 1HE TYR 107 -5.413 -2.336 14.600 825 HE2 TYR 107 2HE TYR 107 -2.585 -5.362 13.349 826 HH TYR 107 HH TYR 107 -2.150 -3.757 14.949 827 H ARG 108 H ARG 108 -6.405 -5.673 8.647 828 HA ARG 108 HA ARG 108 -8.508 -7.453 7.521 829 1HB ARG 108 1HB ARG 108 -7.802 -5.205 6.337 830 2HB ARG 108 2HB ARG 108 -6.375 -6.123 5.882 831 1HG ARG 108 1HG ARG 108 -7.869 -6.351 4.078 832 2HG ARG 108 2HG ARG 108 -7.998 -7.890 4.905 833 1HD ARG 108 1HD ARG 108 -10.207 -7.578 5.351 834 2HD ARG 108 2HD ARG 108 -9.945 -5.948 5.971 835 HE ARG 108 HE ARG 108 -9.634 -5.800 3.190 836 1HH1 ARG 108 2HH2 ARG 108 -12.415 -6.601 5.304 837 2HH1 ARG 108 1HH2 ARG 108 -13.471 -5.490 4.535 838 1HH2 ARG 108 2HH1 ARG 108 -11.104 -4.405 2.096 839 2HH2 ARG 108 1HH1 ARG 108 -12.568 -4.002 2.906 840 H ASN 109 H ASN 109 -7.579 -9.472 6.433 841 HA ASN 109 HA ASN 109 -4.830 -10.162 7.114 842 1HB ASN 109 1HB ASN 109 -5.858 -12.411 7.474 843 2HB ASN 109 2HB ASN 109 -6.253 -11.218 8.711 844 1HD2 ASN 109 1HD2 ASN 109 -7.842 -13.131 9.101 845 2HD2 ASN 109 2HD2 ASN 109 -9.423 -12.826 8.376 846 H VAL 110 H VAL 110 -3.846 -11.580 5.613 847 HA VAL 110 HA VAL 110 -5.255 -12.456 3.196 848 HB VAL 110 HB VAL 110 -3.592 -11.397 1.731 849 1HG1 VAL 110 1HG1 VAL 110 -5.730 -10.266 1.966 850 2HG1 VAL 110 2HG1 VAL 110 -5.113 -9.307 3.340 851 3HG1 VAL 110 3HG1 VAL 110 -4.435 -9.077 1.751 852 1HG2 VAL 110 1HG2 VAL 110 -2.672 -9.777 4.149 853 2HG2 VAL 110 2HG2 VAL 110 -1.729 -11.018 3.287 854 3HG2 VAL 110 3HG2 VAL 110 -2.174 -9.523 2.465 855 H LEU 111 H LEU 111 -3.492 -13.749 1.786 856 HA LEU 111 HA LEU 111 -1.212 -14.654 3.451 857 1HB LEU 111 1HB LEU 111 -2.834 -15.900 1.252 858 2HB LEU 111 2HB LEU 111 -1.216 -16.456 1.528 859 HG LEU 111 HG LEU 111 -2.938 -17.936 2.214 860 1HD1 LEU 111 1HD1 LEU 111 -0.707 -17.992 3.335 861 2HD1 LEU 111 2HD1 LEU 111 -1.451 -17.119 4.685 862 3HD1 LEU 111 3HD1 LEU 111 -2.034 -18.720 4.252 863 1HD2 LEU 111 1HD2 LEU 111 -4.690 -16.501 2.892 864 2HD2 LEU 111 2HD2 LEU 111 -4.288 -17.605 4.243 865 3HD2 LEU 111 3HD2 LEU 111 -3.778 -15.908 4.267 866 H LEU 112 H LEU 112 0.679 -14.845 2.157 867 HA LEU 112 HA LEU 112 0.927 -13.045 -0.190 868 1HB LEU 112 1HB LEU 112 1.836 -12.198 1.932 869 2HB LEU 112 2HB LEU 112 2.800 -13.622 2.158 870 HG LEU 112 HG LEU 112 3.762 -11.321 1.266 871 1HD1 LEU 112 1HD1 LEU 112 4.754 -13.995 0.229 872 2HD1 LEU 112 2HD1 LEU 112 5.669 -12.471 0.220 873 3HD1 LEU 112 3HD1 LEU 112 5.176 -13.183 1.766 874 1HD2 LEU 112 1HD2 LEU 112 4.061 -11.095 -1.058 875 2HD2 LEU 112 2HD2 LEU 112 3.322 -12.646 -1.427 876 3HD2 LEU 112 3HD2 LEU 112 2.314 -11.317 -0.801 877 H ARG 113 H ARG 113 1.536 -14.098 -2.009 878 HA ARG 113 HA ARG 113 2.218 -16.809 -2.201 879 1HB ARG 113 1HB ARG 113 1.184 -15.387 -3.894 880 2HB ARG 113 2HB ARG 113 2.637 -14.398 -4.049 881 1HG ARG 113 1HG ARG 113 3.777 -16.198 -5.159 882 2HG ARG 113 2HG ARG 113 2.485 -17.352 -4.722 883 1HD ARG 113 1HD ARG 113 0.845 -16.081 -6.040 884 2HD ARG 113 2HD ARG 113 2.040 -14.874 -6.457 885 HE ARG 113 HE ARG 113 1.828 -17.685 -7.463 886 1HH1 ARG 113 2HH2 ARG 113 3.700 -14.663 -7.582 887 2HH1 ARG 113 1HH2 ARG 113 4.499 -15.075 -9.067 888 1HH2 ARG 113 2HH1 ARG 113 2.916 -18.214 -9.457 889 2HH2 ARG 113 1HH1 ARG 113 4.195 -17.182 -10.000 890 H LYS 114 H LYS 114 3.997 -17.871 -1.821 891 HA LYS 114 HA LYS 114 6.410 -16.477 -0.954 892 1HB LYS 114 1HB LYS 114 5.526 -19.396 -1.115 893 2HB LYS 114 2HB LYS 114 7.205 -18.976 -0.767 894 1HG LYS 114 1HG LYS 114 6.498 -17.554 1.104 895 2HG LYS 114 2HG LYS 114 4.810 -18.037 0.848 896 1HD LYS 114 1HD LYS 114 5.333 -20.347 1.426 897 2HD LYS 114 2HD LYS 114 7.065 -19.999 1.407 898 1HE LYS 114 1HE LYS 114 6.627 -18.321 3.299 899 2HE LYS 114 2HE LYS 114 5.016 -18.998 3.448 900 1HZ LYS 114 1HZ LYS 114 7.570 -20.525 3.692 901 2HZ LYS 114 2HZ LYS 114 6.650 -20.045 4.942 902 3HZ LYS 114 3HZ LYS 114 6.057 -21.166 3.937 903 H ASN 115 H ASN 115 8.534 -17.424 -1.746 904 HA ASN 115 HA ASN 115 8.597 -17.774 -4.707 905 1HB ASN 115 1HB ASN 115 10.625 -16.407 -2.906 906 2HB ASN 115 2HB ASN 115 10.969 -16.948 -4.548 907 1HD2 ASN 115 1HD2 ASN 115 9.311 -14.491 -2.653 908 2HD2 ASN 115 2HD2 ASN 115 8.680 -13.590 -4.003 909 H GLY 116 H GLY 116 8.708 -19.448 -1.859 910 1HA GLY 116 1HA GLY 116 9.383 -21.921 -2.639 911 2HA GLY 116 2HA GLY 116 10.935 -21.203 -2.134 Start of MODEL 13 1 1H GLY 1 H GLY 1 1.773 -24.852 2.637 2 1HA GLY 1 1HA GLY 1 3.153 -22.958 1.794 3 2HA GLY 1 2HA GLY 1 1.687 -23.249 0.831 4 H HIS 2 H HIS 2 2.924 -20.755 0.843 5 HA HIS 2 HA HIS 2 2.607 -18.576 1.014 6 1HB HIS 2 1HB HIS 2 -0.304 -18.991 1.865 7 2HB HIS 2 2HB HIS 2 0.429 -17.584 1.271 8 HD1 HIS 2 1HD HIS 2 -0.285 -21.187 -0.185 9 HD2 HIS 2 2HD HIS 2 0.229 -17.130 -1.083 10 HE1 HIS 2 1HE HIS 2 -0.740 -20.980 -2.629 11 H VAL 3 H VAL 3 1.688 -16.744 2.707 12 HA VAL 3 HA VAL 3 2.338 -17.512 5.462 13 HB VAL 3 HB VAL 3 3.580 -15.048 5.109 14 1HG1 VAL 3 1HG1 VAL 3 4.344 -16.913 6.534 15 2HG1 VAL 3 2HG1 VAL 3 4.846 -17.828 5.096 16 3HG1 VAL 3 3HG1 VAL 3 5.674 -16.320 5.535 17 1HG2 VAL 3 1HG2 VAL 3 3.586 -15.227 2.670 18 2HG2 VAL 3 2HG2 VAL 3 5.210 -15.197 3.354 19 3HG2 VAL 3 3HG2 VAL 3 4.522 -16.732 2.775 20 H GLN 4 H GLN 4 0.865 -16.562 6.833 21 HA GLN 4 HA GLN 4 -1.137 -14.759 5.688 22 1HB GLN 4 1HB GLN 4 -1.072 -16.559 7.914 23 2HB GLN 4 2HB GLN 4 -1.221 -14.931 8.589 24 1HG GLN 4 1HG GLN 4 -3.116 -14.656 6.773 25 2HG GLN 4 2HG GLN 4 -3.057 -16.403 6.651 26 1HE2 GLN 4 1HE2 GLN 4 -2.570 -15.103 9.964 27 2HE2 GLN 4 2HE2 GLN 4 -4.190 -15.368 10.481 28 H LEU 5 H LEU 5 -1.492 -12.609 6.268 29 HA LEU 5 HA LEU 5 0.274 -11.324 8.118 30 1HB LEU 5 1HB LEU 5 0.059 -10.262 5.278 31 2HB LEU 5 2HB LEU 5 0.711 -9.362 6.603 32 HG LEU 5 HG LEU 5 1.962 -11.966 5.605 33 1HD1 LEU 5 1HD1 LEU 5 2.062 -10.284 3.853 34 2HD1 LEU 5 2HD1 LEU 5 2.692 -9.074 4.999 35 3HD1 LEU 5 3HD1 LEU 5 3.655 -10.503 4.573 36 1HD2 LEU 5 1HD2 LEU 5 3.070 -9.752 7.406 37 2HD2 LEU 5 2HD2 LEU 5 2.555 -11.349 7.966 38 3HD2 LEU 5 3HD2 LEU 5 3.933 -11.200 6.866 39 H SER 6 H SER 6 -0.895 -10.031 9.382 40 HA SER 6 HA SER 6 -3.566 -9.181 8.528 41 1HB SER 6 1HB SER 6 -2.626 -7.932 10.897 42 2HB SER 6 2HB SER 6 -4.044 -8.938 10.659 43 HG SER 6 HG SER 6 -2.644 -10.790 10.924 44 H LEU 7 H LEU 7 -4.136 -6.800 8.822 45 HA LEU 7 HA LEU 7 -1.933 -4.922 8.929 46 1HB LEU 7 1HB LEU 7 -3.980 -4.853 6.661 47 2HB LEU 7 2HB LEU 7 -2.961 -3.494 7.087 48 HG LEU 7 HG LEU 7 -1.858 -6.166 6.135 49 1HD1 LEU 7 1HD1 LEU 7 -1.474 -5.073 4.004 50 2HD1 LEU 7 2HD1 LEU 7 -3.200 -5.132 4.383 51 3HD1 LEU 7 3HD1 LEU 7 -2.301 -3.608 4.582 52 1HD2 LEU 7 1HD2 LEU 7 0.223 -4.934 5.813 53 2HD2 LEU 7 2HD2 LEU 7 -0.535 -3.422 6.354 54 3HD2 LEU 7 3HD2 LEU 7 -0.263 -4.755 7.494 55 HA PRO 8 HA PRO 8 -5.354 -2.820 11.099 56 1HB PRO 8 1HB PRO 8 -4.355 -0.313 11.284 57 2HB PRO 8 2HB PRO 8 -3.676 -1.623 12.259 58 1HG PRO 8 1HG PRO 8 -2.635 -0.519 9.634 59 2HG PRO 8 2HG PRO 8 -1.717 -0.832 11.143 60 1HD PRO 8 1HD PRO 8 -1.791 -2.642 9.083 61 2HD PRO 8 2HD PRO 8 -1.716 -3.141 10.779 62 H VAL 9 H VAL 9 -7.004 -1.289 10.415 63 HA VAL 9 HA VAL 9 -6.822 -0.365 7.598 64 HB VAL 9 HB VAL 9 -9.392 -0.774 9.167 65 1HG1 VAL 9 1HG1 VAL 9 -9.477 0.805 7.260 66 2HG1 VAL 9 2HG1 VAL 9 -8.821 -0.449 6.187 67 3HG1 VAL 9 3HG1 VAL 9 -10.423 -0.649 6.939 68 1HG2 VAL 9 1HG2 VAL 9 -8.083 -2.690 7.167 69 2HG2 VAL 9 2HG2 VAL 9 -8.401 -3.018 8.879 70 3HG2 VAL 9 3HG2 VAL 9 -9.755 -2.826 7.766 71 H LEU 10 H LEU 10 -6.685 1.793 7.451 72 HA LEU 10 HA LEU 10 -7.157 3.504 9.860 73 1HB LEU 10 1HB LEU 10 -5.065 3.979 7.721 74 2HB LEU 10 2HB LEU 10 -5.245 4.830 9.238 75 HG LEU 10 HG LEU 10 -4.372 1.902 8.989 76 1HD1 LEU 10 1HD1 LEU 10 -2.114 2.639 9.470 77 2HD1 LEU 10 2HD1 LEU 10 -2.688 3.442 8.012 78 3HD1 LEU 10 3HD1 LEU 10 -2.648 4.333 9.527 79 1HD2 LEU 10 1HD2 LEU 10 -5.359 2.244 11.094 80 2HD2 LEU 10 2HD2 LEU 10 -3.613 2.219 11.355 81 3HD2 LEU 10 3HD2 LEU 10 -4.506 3.765 11.382 82 H GLN 11 H GLN 11 -8.286 5.477 9.304 83 HA GLN 11 HA GLN 11 -10.068 5.242 7.045 84 1HB GLN 11 1HB GLN 11 -9.450 7.618 8.887 85 2HB GLN 11 2HB GLN 11 -10.536 7.737 7.516 86 1HG GLN 11 1HG GLN 11 -11.526 5.528 8.654 87 2HG GLN 11 2HG GLN 11 -10.943 6.361 10.118 88 1HE2 GLN 11 1HE2 GLN 11 -13.413 5.996 7.887 89 2HE2 GLN 11 2HE2 GLN 11 -14.340 7.461 8.098 90 H VAL 12 H VAL 12 -10.033 6.216 4.996 91 HA VAL 12 HA VAL 12 -7.476 6.577 3.808 92 HB VAL 12 HB VAL 12 -9.660 5.939 2.681 93 1HG1 VAL 12 1HG1 VAL 12 -11.159 7.772 3.540 94 2HG1 VAL 12 2HG1 VAL 12 -10.245 8.939 2.574 95 3HG1 VAL 12 3HG1 VAL 12 -11.155 7.631 1.792 96 1HG2 VAL 12 1HG2 VAL 12 -9.091 7.141 0.587 97 2HG2 VAL 12 2HG2 VAL 12 -8.053 8.233 1.495 98 3HG2 VAL 12 3HG2 VAL 12 -7.679 6.494 1.457 99 H ARG 13 H ARG 13 -9.633 8.773 5.486 100 HA ARG 13 HA ARG 13 -8.219 11.094 4.380 101 1HB ARG 13 1HB ARG 13 -9.748 12.475 5.684 102 2HB ARG 13 2HB ARG 13 -10.579 11.357 4.608 103 1HG ARG 13 1HG ARG 13 -11.585 10.218 6.303 104 2HG ARG 13 2HG ARG 13 -10.125 10.205 7.283 105 1HD ARG 13 1HD ARG 13 -10.652 12.747 7.718 106 2HD ARG 13 2HD ARG 13 -12.272 12.324 7.172 107 HE ARG 13 HE ARG 13 -12.510 10.832 8.977 108 1HH1 ARG 13 2HH2 ARG 13 -9.293 12.424 9.082 109 2HH1 ARG 13 1HH2 ARG 13 -8.779 11.526 10.475 110 1HH2 ARG 13 2HH1 ARG 13 -11.745 9.665 10.782 111 2HH2 ARG 13 1HH1 ARG 13 -10.355 10.189 11.674 112 H ASP 14 H ASP 14 -7.734 9.026 7.159 113 HA ASP 14 HA ASP 14 -6.590 11.100 8.891 114 1HB ASP 14 1HB ASP 14 -7.111 8.162 9.026 115 2HB ASP 14 2HB ASP 14 -5.594 8.619 9.737 116 H VAL 15 H VAL 15 -5.523 8.730 6.578 117 HA VAL 15 HA VAL 15 -2.760 8.765 7.182 118 HB VAL 15 HB VAL 15 -4.249 7.794 4.669 119 1HG1 VAL 15 1HG1 VAL 15 -1.694 6.681 5.925 120 2HG1 VAL 15 2HG1 VAL 15 -2.530 6.056 4.484 121 3HG1 VAL 15 3HG1 VAL 15 -1.790 7.645 4.439 122 1HG2 VAL 15 1HG2 VAL 15 -5.197 6.776 6.877 123 2HG2 VAL 15 2HG2 VAL 15 -4.619 5.618 5.699 124 3HG2 VAL 15 3HG2 VAL 15 -3.633 6.043 7.124 125 H LEU 16 H LEU 16 -2.291 10.961 7.233 126 HA LEU 16 HA LEU 16 -2.093 12.775 5.367 127 1HB LEU 16 1HB LEU 16 0.144 13.383 6.055 128 2HB LEU 16 2HB LEU 16 -1.194 13.294 7.179 129 HG LEU 16 HG LEU 16 0.944 11.197 7.216 130 1HD1 LEU 16 1HD1 LEU 16 0.595 13.730 8.843 131 2HD1 LEU 16 2HD1 LEU 16 1.804 12.459 9.173 132 3HD1 LEU 16 3HD1 LEU 16 1.924 13.426 7.694 133 1HD2 LEU 16 1HD2 LEU 16 -0.167 11.222 9.630 134 2HD2 LEU 16 2HD2 LEU 16 -1.522 11.995 8.723 135 3HD2 LEU 16 3HD2 LEU 16 -0.961 10.400 8.276 136 H VAL 17 H VAL 17 -0.054 9.779 5.311 137 HA VAL 17 HA VAL 17 1.017 10.717 2.731 138 HB VAL 17 HB VAL 17 2.467 8.637 4.332 139 1HG1 VAL 17 1HG1 VAL 17 3.609 11.007 2.820 140 2HG1 VAL 17 2HG1 VAL 17 4.390 9.474 3.289 141 3HG1 VAL 17 3HG1 VAL 17 3.172 9.501 1.995 142 1HG2 VAL 17 1HG2 VAL 17 3.739 10.684 5.329 143 2HG2 VAL 17 2HG2 VAL 17 2.164 11.505 5.189 144 3HG2 VAL 17 3HG2 VAL 17 2.307 10.005 6.114 145 H ARG 18 H ARG 18 -0.430 9.865 1.334 146 HA ARG 18 HA ARG 18 -1.366 7.091 1.731 147 1HB ARG 18 1HB ARG 18 -2.501 9.038 -0.293 148 2HB ARG 18 2HB ARG 18 -3.191 7.552 0.389 149 1HG ARG 18 1HG ARG 18 -3.356 8.468 2.545 150 2HG ARG 18 2HG ARG 18 -2.438 9.898 2.028 151 1HD ARG 18 1HD ARG 18 -4.593 10.137 0.451 152 2HD ARG 18 2HD ARG 18 -5.279 9.448 1.941 153 HE ARG 18 HE ARG 18 -3.486 11.790 1.679 154 1HH1 ARG 18 2HH2 ARG 18 -5.932 10.380 3.782 155 2HH1 ARG 18 1HH2 ARG 18 -5.822 11.700 4.946 156 1HH2 ARG 18 2HH1 ARG 18 -3.433 13.449 3.107 157 2HH2 ARG 18 1HH1 ARG 18 -4.276 13.372 4.640 158 H GLY 19 H GLY 19 1.469 7.831 0.613 159 1HA GLY 19 1HA GLY 19 1.492 6.158 -1.751 160 2HA GLY 19 2HA GLY 19 1.728 7.898 -2.069 161 H PHE 20 H PHE 20 3.017 5.053 -0.730 162 HA PHE 20 HA PHE 20 4.806 5.531 1.177 163 1HB PHE 20 1HB PHE 20 5.099 3.801 -1.177 164 2HB PHE 20 2HB PHE 20 6.374 3.942 0.036 165 HD1 PHE 20 1HD PHE 20 5.715 3.423 2.538 166 HD2 PHE 20 2HD PHE 20 3.431 2.169 -0.912 167 HE1 PHE 20 1HE PHE 20 4.560 1.727 3.894 168 HE2 PHE 20 2HE PHE 20 2.275 0.479 0.470 169 HZ PHE 20 HZ PHE 20 2.834 0.259 2.892 170 H GLY 21 H GLY 21 5.451 6.349 -2.157 171 1HA GLY 21 1HA GLY 21 7.099 8.521 -1.469 172 2HA GLY 21 2HA GLY 21 7.851 7.381 -2.640 173 H ASP 22 H ASP 22 7.410 9.475 -3.943 174 HA ASP 22 HA ASP 22 4.637 9.820 -4.699 175 1HB ASP 22 1HB ASP 22 7.220 11.255 -5.163 176 2HB ASP 22 2HB ASP 22 5.843 11.633 -6.178 177 H SER 23 H SER 23 6.866 7.573 -5.668 178 HA SER 23 HA SER 23 5.914 7.557 -8.487 179 1HB SER 23 1HB SER 23 8.468 6.228 -7.888 180 2HB SER 23 2HB SER 23 7.997 7.188 -9.269 181 HG SER 23 HG SER 23 9.486 8.387 -8.254 182 H VAL 24 H VAL 24 5.662 5.422 -9.476 183 HA VAL 24 HA VAL 24 4.433 3.539 -7.669 184 HB VAL 24 HB VAL 24 3.317 3.229 -9.525 185 1HG1 VAL 24 1HG1 VAL 24 5.697 3.968 -11.234 186 2HG1 VAL 24 2HG1 VAL 24 4.034 3.627 -11.810 187 3HG1 VAL 24 3HG1 VAL 24 4.333 5.041 -10.794 188 1HG2 VAL 24 1HG2 VAL 24 5.640 1.626 -10.635 189 2HG2 VAL 24 2HG2 VAL 24 4.578 1.033 -9.353 190 3HG2 VAL 24 3HG2 VAL 24 3.904 1.402 -10.946 191 H GLU 25 H GLU 25 7.549 3.536 -9.503 192 HA GLU 25 HA GLU 25 8.171 0.861 -8.646 193 1HB GLU 25 1HB GLU 25 9.924 3.092 -9.781 194 2HB GLU 25 2HB GLU 25 10.403 1.399 -9.562 195 1HG GLU 25 1HG GLU 25 8.164 0.913 -10.949 196 2HG GLU 25 2HG GLU 25 8.356 2.573 -11.481 197 H GLU 26 H GLU 26 8.631 3.973 -7.268 198 HA GLU 26 HA GLU 26 10.336 3.221 -5.033 199 1HB GLU 26 1HB GLU 26 8.305 5.492 -5.303 200 2HB GLU 26 2HB GLU 26 9.474 5.300 -3.983 201 1HG GLU 26 1HG GLU 26 10.215 5.682 -6.931 202 2HG GLU 26 2HG GLU 26 10.297 6.887 -5.652 203 H ALA 27 H ALA 27 6.789 3.814 -5.278 204 HA ALA 27 HA ALA 27 6.329 3.160 -2.585 205 1HB ALA 27 1HB ALA 27 3.975 3.242 -3.192 206 2HB ALA 27 2HB ALA 27 4.843 4.513 -4.052 207 3HB ALA 27 3HB ALA 27 4.372 3.027 -4.915 208 H LEU 28 H LEU 28 6.194 1.090 -5.531 209 HA LEU 28 HA LEU 28 5.237 -1.242 -4.184 210 1HB LEU 28 1HB LEU 28 5.841 -0.530 -6.779 211 2HB LEU 28 2HB LEU 28 7.151 -1.618 -6.439 212 HG LEU 28 HG LEU 28 4.141 -2.147 -6.201 213 1HD1 LEU 28 1HD1 LEU 28 4.473 -3.668 -8.112 214 2HD1 LEU 28 2HD1 LEU 28 4.968 -2.029 -8.518 215 3HD1 LEU 28 3HD1 LEU 28 6.195 -3.254 -8.165 216 1HD2 LEU 28 1HD2 LEU 28 6.404 -4.105 -5.672 217 2HD2 LEU 28 2HD2 LEU 28 5.165 -3.543 -4.525 218 3HD2 LEU 28 3HD2 LEU 28 4.697 -4.552 -5.895 219 H SER 29 H SER 29 8.519 0.092 -4.446 220 HA SER 29 HA SER 29 9.927 -2.205 -3.357 221 1HB SER 29 1HB SER 29 11.034 -0.297 -4.609 222 2HB SER 29 2HB SER 29 10.726 0.742 -3.200 223 HG SER 29 HG SER 29 12.042 -0.582 -1.930 224 H GLU 30 H GLU 30 8.883 0.954 -2.022 225 HA GLU 30 HA GLU 30 9.679 0.454 0.640 226 1HB GLU 30 1HB GLU 30 7.332 2.117 -0.294 227 2HB GLU 30 2HB GLU 30 8.216 2.321 1.216 228 1HG GLU 30 1HG GLU 30 9.019 3.128 -1.564 229 2HG GLU 30 2HG GLU 30 8.814 4.102 -0.146 230 H ALA 31 H ALA 31 6.510 -0.214 -0.991 231 HA ALA 31 HA ALA 31 4.997 -0.958 1.213 232 1HB ALA 31 1HB ALA 31 3.746 -2.367 -0.392 233 2HB ALA 31 2HB ALA 31 4.122 -0.758 -1.048 234 3HB ALA 31 3HB ALA 31 5.054 -2.170 -1.585 235 H ARG 32 H ARG 32 7.127 -3.092 -0.757 236 HA ARG 32 HA ARG 32 6.706 -5.436 0.848 237 1HB ARG 32 1HB ARG 32 9.095 -4.571 -0.834 238 2HB ARG 32 2HB ARG 32 8.875 -6.210 -0.237 239 1HG ARG 32 1HG ARG 32 7.000 -6.595 -1.678 240 2HG ARG 32 2HG ARG 32 6.823 -4.877 -2.041 241 1HD ARG 32 1HD ARG 32 7.781 -5.594 -3.969 242 2HD ARG 32 2HD ARG 32 9.187 -5.033 -3.077 243 HE ARG 32 HE ARG 32 8.374 -7.801 -3.728 244 1HH1 ARG 32 2HH2 ARG 32 10.919 -5.711 -2.312 245 2HH1 ARG 32 1HH2 ARG 32 12.126 -6.922 -2.455 246 1HH2 ARG 32 2HH1 ARG 32 9.962 -9.395 -3.809 247 2HH2 ARG 32 1HH1 ARG 32 11.509 -9.155 -3.080 248 H GLU 33 H GLU 33 8.967 -2.668 1.248 249 HA GLU 33 HA GLU 33 10.438 -4.046 3.239 250 1HB GLU 33 1HB GLU 33 11.736 -2.407 2.233 251 2HB GLU 33 2HB GLU 33 10.362 -1.405 1.860 252 1HG GLU 33 1HG GLU 33 10.263 -0.374 3.879 253 2HG GLU 33 2HG GLU 33 11.334 -1.543 4.674 254 H HIS 34 H HIS 34 7.674 -1.721 3.275 255 HA HIS 34 HA HIS 34 7.817 -1.268 6.130 256 1HB HIS 34 1HB HIS 34 5.754 -0.653 3.979 257 2HB HIS 34 2HB HIS 34 5.481 -0.334 5.692 258 HD1 HIS 34 1HD HIS 34 8.254 0.596 3.150 259 HD2 HIS 34 2HD HIS 34 6.106 2.058 6.449 260 HE1 HIS 34 1HE HIS 34 9.146 2.955 3.610 261 H LEU 35 H LEU 35 5.968 -3.347 3.924 262 HA LEU 35 HA LEU 35 4.330 -4.673 5.819 263 1HB LEU 35 1HB LEU 35 5.613 -5.594 3.222 264 2HB LEU 35 2HB LEU 35 4.446 -6.561 4.123 265 HG LEU 35 HG LEU 35 3.760 -3.726 3.257 266 1HD1 LEU 35 1HD1 LEU 35 2.755 -4.555 1.254 267 2HD1 LEU 35 2HD1 LEU 35 4.448 -5.048 1.237 268 3HD1 LEU 35 3HD1 LEU 35 3.204 -6.233 1.640 269 1HD2 LEU 35 1HD2 LEU 35 2.096 -6.183 3.906 270 2HD2 LEU 35 2HD2 LEU 35 2.334 -4.750 4.927 271 3HD2 LEU 35 3HD2 LEU 35 1.470 -4.594 3.390 272 H LYS 36 H LYS 36 7.717 -5.445 4.741 273 HA LYS 36 HA LYS 36 8.000 -7.727 6.375 274 1HB LYS 36 1HB LYS 36 9.411 -6.982 4.439 275 2HB LYS 36 2HB LYS 36 10.222 -5.853 5.550 276 1HG LYS 36 1HG LYS 36 11.052 -7.678 6.900 277 2HG LYS 36 2HG LYS 36 9.897 -8.809 6.167 278 1HD LYS 36 1HD LYS 36 12.143 -9.225 5.281 279 2HD LYS 36 2HD LYS 36 11.045 -8.672 4.006 280 1HE LYS 36 1HE LYS 36 11.906 -6.332 4.396 281 2HE LYS 36 2HE LYS 36 13.120 -7.015 5.491 282 1HZ LYS 36 1HZ LYS 36 13.872 -8.392 3.574 283 2HZ LYS 36 2HZ LYS 36 12.820 -7.640 2.617 284 3HZ LYS 36 3HZ LYS 36 14.043 -6.763 3.269 285 H ASN 37 H ASN 37 8.584 -4.275 7.051 286 HA ASN 37 HA ASN 37 9.599 -4.737 9.742 287 1HB ASN 37 1HB ASN 37 8.583 -2.263 8.285 288 2HB ASN 37 2HB ASN 37 9.127 -2.235 9.954 289 1HD2 ASN 37 1HD2 ASN 37 10.174 -2.214 6.668 290 2HD2 ASN 37 2HD2 ASN 37 11.854 -1.931 7.021 291 H GLY 38 H GLY 38 6.389 -4.478 8.373 292 1HA GLY 38 1HA GLY 38 4.366 -4.957 9.462 293 2HA GLY 38 2HA GLY 38 5.083 -4.556 11.027 294 H THR 39 H THR 39 6.091 -2.136 8.879 295 HA THR 39 HA THR 39 4.364 -0.224 10.272 296 HB THR 39 HB THR 39 6.063 1.387 9.316 297 HG1 THR 39 1HG THR 39 7.711 0.700 8.200 298 1HG2 THR 39 1HG2 THR 39 7.160 -0.947 10.962 299 2HG2 THR 39 2HG2 THR 39 7.907 0.650 10.804 300 3HG2 THR 39 3HG2 THR 39 6.325 0.489 11.585 301 H CYS 40 H CYS 40 2.903 -1.709 8.504 302 HA CYS 40 HA CYS 40 2.261 0.218 6.332 303 1HB CYS 40 1HB CYS 40 3.594 -1.579 5.358 304 2HB CYS 40 2HB CYS 40 2.567 -2.795 6.121 305 HG CYS 40 HG CYS 40 0.322 -1.800 4.818 306 H GLY 41 H GLY 41 0.004 0.252 5.819 307 1HA GLY 41 1HA GLY 41 -1.841 -1.380 7.446 308 2HA GLY 41 2HA GLY 41 -2.050 0.358 7.393 309 H LEU 42 H LEU 42 -4.140 -0.948 6.531 310 HA LEU 42 HA LEU 42 -4.057 -1.211 3.568 311 1HB LEU 42 1HB LEU 42 -4.719 -3.261 4.943 312 2HB LEU 42 2HB LEU 42 -6.050 -2.305 5.592 313 HG LEU 42 HG LEU 42 -6.826 -2.001 3.117 314 1HD1 LEU 42 1HD1 LEU 42 -4.714 -2.826 2.020 315 2HD1 LEU 42 2HD1 LEU 42 -4.954 -4.403 2.766 316 3HD1 LEU 42 3HD1 LEU 42 -6.105 -3.797 1.567 317 1HD2 LEU 42 1HD2 LEU 42 -7.934 -3.415 4.781 318 2HD2 LEU 42 2HD2 LEU 42 -8.011 -4.116 3.166 319 3HD2 LEU 42 3HD2 LEU 42 -6.863 -4.774 4.363 320 H VAL 43 H VAL 43 -5.460 0.045 2.393 321 HA VAL 43 HA VAL 43 -7.324 1.823 3.839 322 HB VAL 43 HB VAL 43 -5.431 2.333 1.552 323 1HG1 VAL 43 1HG1 VAL 43 -6.559 4.442 0.985 324 2HG1 VAL 43 2HG1 VAL 43 -7.573 3.051 0.584 325 3HG1 VAL 43 3HG1 VAL 43 -7.926 4.008 2.037 326 1HG2 VAL 43 1HG2 VAL 43 -4.779 2.948 3.841 327 2HG2 VAL 43 2HG2 VAL 43 -4.951 4.383 2.817 328 3HG2 VAL 43 3HG2 VAL 43 -6.217 3.975 3.991 329 H GLU 44 H GLU 44 -9.371 1.854 3.168 330 HA GLU 44 HA GLU 44 -10.289 -0.505 1.703 331 1HB GLU 44 1HB GLU 44 -11.743 1.906 2.896 332 2HB GLU 44 2HB GLU 44 -12.566 0.569 2.077 333 1HG GLU 44 1HG GLU 44 -11.766 -1.014 3.756 334 2HG GLU 44 2HG GLU 44 -10.817 0.248 4.558 335 H LEU 45 H LEU 45 -10.777 -0.636 -0.380 336 HA LEU 45 HA LEU 45 -10.352 1.649 -2.132 337 1HB LEU 45 1HB LEU 45 -10.869 -1.301 -2.417 338 2HB LEU 45 2HB LEU 45 -11.475 -0.295 -3.735 339 HG LEU 45 HG LEU 45 -8.636 -0.059 -2.666 340 1HD1 LEU 45 1HD1 LEU 45 -9.661 -1.702 -5.016 341 2HD1 LEU 45 2HD1 LEU 45 -7.952 -1.395 -4.627 342 3HD1 LEU 45 3HD1 LEU 45 -8.961 -2.329 -3.509 343 1HD2 LEU 45 1HD2 LEU 45 -10.169 1.053 -5.057 344 2HD2 LEU 45 2HD2 LEU 45 -9.115 1.917 -3.917 345 3HD2 LEU 45 3HD2 LEU 45 -8.435 0.850 -5.150 346 H GLU 46 H GLU 46 -11.820 3.030 -2.864 347 HA GLU 46 HA GLU 46 -14.612 2.298 -3.094 348 1HB GLU 46 1HB GLU 46 -13.828 4.842 -1.648 349 2HB GLU 46 2HB GLU 46 -15.441 4.264 -1.959 350 1HG GLU 46 1HG GLU 46 -15.229 2.495 -0.315 351 2HG GLU 46 2HG GLU 46 -13.515 2.896 -0.043 352 H LYS 47 H LYS 47 -15.694 4.387 -4.128 353 HA LYS 47 HA LYS 47 -14.307 5.279 -6.437 354 1HB LYS 47 1HB LYS 47 -16.801 5.300 -6.067 355 2HB LYS 47 2HB LYS 47 -16.590 6.682 -5.005 356 1HG LYS 47 1HG LYS 47 -15.394 7.866 -6.969 357 2HG LYS 47 2HG LYS 47 -15.895 6.482 -7.972 358 1HD LYS 47 1HD LYS 47 -18.265 6.926 -7.239 359 2HD LYS 47 2HD LYS 47 -17.676 8.392 -6.405 360 1HE LYS 47 1HE LYS 47 -16.799 9.242 -8.575 361 2HE LYS 47 2HE LYS 47 -17.442 7.795 -9.380 362 1HZ LYS 47 1HZ LYS 47 -19.648 8.451 -8.588 363 2HZ LYS 47 2HZ LYS 47 -19.041 9.837 -7.952 364 3HZ LYS 47 3HZ LYS 47 -18.996 9.596 -9.566 365 H GLY 48 H GLY 48 -15.110 7.081 -3.414 366 1HA GLY 48 1HA GLY 48 -13.679 9.433 -4.200 367 2HA GLY 48 2HA GLY 48 -14.495 9.121 -2.678 368 H VAL 49 H VAL 49 -11.974 6.907 -3.721 369 HA VAL 49 HA VAL 49 -10.260 7.883 -1.497 370 HB VAL 49 HB VAL 49 -10.731 5.249 -2.945 371 1HG1 VAL 49 1HG1 VAL 49 -8.467 5.646 -0.963 372 2HG1 VAL 49 2HG1 VAL 49 -9.057 4.094 -1.561 373 3HG1 VAL 49 3HG1 VAL 49 -8.309 5.238 -2.682 374 1HG2 VAL 49 1HG2 VAL 49 -12.162 6.068 -0.936 375 2HG2 VAL 49 2HG2 VAL 49 -11.496 4.437 -0.841 376 3HG2 VAL 49 3HG2 VAL 49 -10.742 5.759 0.055 377 H LEU 50 H LEU 50 -9.890 6.456 -4.753 378 HA LEU 50 HA LEU 50 -7.237 7.070 -5.228 379 1HB LEU 50 1HB LEU 50 -9.714 6.896 -6.961 380 2HB LEU 50 2HB LEU 50 -8.165 7.331 -7.678 381 HG LEU 50 HG LEU 50 -9.214 4.721 -6.915 382 1HD1 LEU 50 1HD1 LEU 50 -7.613 3.912 -8.574 383 2HD1 LEU 50 2HD1 LEU 50 -8.497 5.320 -9.181 384 3HD1 LEU 50 3HD1 LEU 50 -6.824 5.505 -8.612 385 1HD2 LEU 50 1HD2 LEU 50 -7.249 3.606 -6.162 386 2HD2 LEU 50 2HD2 LEU 50 -6.334 5.131 -6.097 387 3HD2 LEU 50 3HD2 LEU 50 -7.698 4.828 -4.991 388 HA PRO 51 HA PRO 51 -7.988 11.359 -6.917 389 1HB PRO 51 1HB PRO 51 -10.251 12.831 -6.511 390 2HB PRO 51 2HB PRO 51 -10.057 11.674 -7.845 391 1HG PRO 51 1HG PRO 51 -11.432 11.226 -5.187 392 2HG PRO 51 2HG PRO 51 -12.026 10.812 -6.822 393 1HD PRO 51 1HD PRO 51 -10.811 9.032 -5.156 394 2HD PRO 51 2HD PRO 51 -10.642 8.907 -6.919 395 H GLN 52 H GLN 52 -8.637 10.426 -3.670 396 HA GLN 52 HA GLN 52 -7.800 13.052 -2.562 397 1HB GLN 52 1HB GLN 52 -8.667 10.534 -1.080 398 2HB GLN 52 2HB GLN 52 -8.390 12.146 -0.407 399 1HG GLN 52 1HG GLN 52 -10.269 12.969 -1.906 400 2HG GLN 52 2HG GLN 52 -10.623 11.318 -2.310 401 1HE2 GLN 52 1HE2 GLN 52 -10.534 10.000 0.141 402 2HE2 GLN 52 2HE2 GLN 52 -11.676 10.698 1.278 403 H LEU 53 H LEU 53 -6.625 9.922 -3.529 404 HA LEU 53 HA LEU 53 -4.449 9.759 -1.579 405 1HB LEU 53 1HB LEU 53 -5.258 8.140 -4.018 406 2HB LEU 53 2HB LEU 53 -3.795 7.837 -3.126 407 HG LEU 53 HG LEU 53 -6.412 6.813 -2.688 408 1HD1 LEU 53 1HD1 LEU 53 -4.472 5.452 -2.501 409 2HD1 LEU 53 2HD1 LEU 53 -3.772 6.482 -1.244 410 3HD1 LEU 53 3HD1 LEU 53 -5.196 5.504 -0.860 411 1HD2 LEU 53 1HD2 LEU 53 -6.863 8.657 -1.062 412 2HD2 LEU 53 2HD2 LEU 53 -6.750 7.052 -0.360 413 3HD2 LEU 53 3HD2 LEU 53 -5.399 8.167 -0.169 414 H GLU 54 H GLU 54 -2.208 9.419 -2.457 415 HA GLU 54 HA GLU 54 -1.414 11.843 -3.731 416 1HB GLU 54 1HB GLU 54 0.414 9.519 -3.237 417 2HB GLU 54 2HB GLU 54 0.784 11.244 -3.306 418 1HG GLU 54 1HG GLU 54 -0.665 9.690 -1.144 419 2HG GLU 54 2HG GLU 54 0.887 10.498 -1.058 420 H GLN 55 H GLN 55 -0.370 8.538 -4.961 421 HA GLN 55 HA GLN 55 -1.677 8.881 -7.336 422 1HB GLN 55 1HB GLN 55 0.289 10.650 -7.547 423 2HB GLN 55 2HB GLN 55 1.251 9.157 -7.809 424 1HG GLN 55 1HG GLN 55 0.621 9.884 -9.958 425 2HG GLN 55 2HG GLN 55 -0.205 8.392 -9.487 426 1HE2 GLN 55 1HE2 GLN 55 -2.269 8.383 -9.623 427 2HE2 GLN 55 2HE2 GLN 55 -3.367 9.745 -9.490 428 HA PRO 56 HA PRO 56 0.916 5.057 -7.736 429 1HB PRO 56 1HB PRO 56 2.982 4.309 -6.280 430 2HB PRO 56 2HB PRO 56 3.104 5.432 -7.666 431 1HG PRO 56 1HG PRO 56 3.333 6.118 -4.763 432 2HG PRO 56 2HG PRO 56 4.032 6.901 -6.175 433 1HD PRO 56 1HD PRO 56 1.665 7.765 -4.873 434 2HD PRO 56 2HD PRO 56 2.312 8.339 -6.430 435 H TYR 57 H TYR 57 -1.064 4.801 -6.956 436 HA TYR 57 HA TYR 57 -1.651 3.911 -4.294 437 1HB TYR 57 1HB TYR 57 -3.203 3.001 -6.704 438 2HB TYR 57 2HB TYR 57 -3.816 3.388 -5.100 439 HD1 TYR 57 1HD TYR 57 -3.863 4.350 -8.399 440 HD2 TYR 57 2HD TYR 57 -3.041 6.129 -4.565 441 HE1 TYR 57 1HE TYR 57 -4.380 6.600 -9.329 442 HE2 TYR 57 2HE TYR 57 -3.591 8.399 -5.540 443 HH TYR 57 HH TYR 57 -5.064 8.739 -8.756 444 H VAL 58 H VAL 58 -0.223 2.305 -3.597 445 HA VAL 58 HA VAL 58 0.355 -0.070 -5.167 446 HB VAL 58 HB VAL 58 0.780 0.416 -2.192 447 1HG1 VAL 58 1HG1 VAL 58 2.355 -1.415 -2.296 448 2HG1 VAL 58 2HG1 VAL 58 0.842 -2.006 -2.987 449 3HG1 VAL 58 3HG1 VAL 58 2.184 -1.551 -4.058 450 1HG2 VAL 58 1HG2 VAL 58 3.140 0.876 -2.824 451 2HG2 VAL 58 2HG2 VAL 58 2.667 0.880 -4.536 452 3HG2 VAL 58 3HG2 VAL 58 2.013 2.106 -3.425 453 H PHE 59 H PHE 59 -1.121 -1.694 -5.414 454 HA PHE 59 HA PHE 59 -3.418 -1.858 -3.482 455 1HB PHE 59 1HB PHE 59 -3.231 -2.644 -6.399 456 2HB PHE 59 2HB PHE 59 -4.638 -2.826 -5.373 457 HD1 PHE 59 1HD PHE 59 -3.190 -0.890 -7.866 458 HD2 PHE 59 2HD PHE 59 -5.497 -0.466 -4.243 459 HE1 PHE 59 1HE PHE 59 -4.152 1.267 -8.697 460 HE2 PHE 59 2HE PHE 59 -6.458 1.643 -5.136 461 HZ PHE 59 HZ PHE 59 -5.759 2.511 -7.354 462 H ILE 60 H ILE 60 -4.468 -3.954 -3.547 463 HA ILE 60 HA ILE 60 -2.621 -6.237 -3.797 464 HB ILE 60 HB ILE 60 -3.381 -7.154 -1.701 465 1HG1 ILE 60 1HG1 ILE 60 -5.045 -4.676 -1.273 466 2HG1 ILE 60 2HG1 ILE 60 -5.610 -6.336 -1.535 467 1HG2 ILE 60 1HG2 ILE 60 -2.497 -4.338 -1.188 468 2HG2 ILE 60 2HG2 ILE 60 -2.120 -5.797 -0.237 469 3HG2 ILE 60 3HG2 ILE 60 -1.426 -5.614 -1.853 470 1HD1 ILE 60 1HD1 ILE 60 -4.071 -5.302 0.840 471 2HD1 ILE 60 2HD1 ILE 60 -5.743 -5.901 0.798 472 3HD1 ILE 60 3HD1 ILE 60 -4.396 -7.030 0.541 473 H LYS 61 H LYS 61 -3.471 -7.704 -5.099 474 HA LYS 61 HA LYS 61 -6.409 -7.811 -5.532 475 1HB LYS 61 1HB LYS 61 -5.641 -8.825 -7.857 476 2HB LYS 61 2HB LYS 61 -5.972 -7.127 -7.587 477 1HG LYS 61 1HG LYS 61 -4.022 -6.486 -8.064 478 2HG LYS 61 2HG LYS 61 -3.175 -7.627 -7.012 479 1HD LYS 61 1HD LYS 61 -2.406 -8.813 -8.595 480 2HD LYS 61 2HD LYS 61 -4.003 -9.001 -9.438 481 1HE LYS 61 1HE LYS 61 -3.722 -6.868 -10.406 482 2HE LYS 61 2HE LYS 61 -2.320 -6.529 -9.429 483 1HZ LYS 61 1HZ LYS 61 -2.442 -8.575 -11.570 484 2HZ LYS 61 2HZ LYS 61 -1.588 -7.188 -11.660 485 3HZ LYS 61 3HZ LYS 61 -1.129 -8.350 -10.600 486 H ARG 62 H ARG 62 -7.265 -9.925 -5.679 487 HA ARG 62 HA ARG 62 -5.824 -11.889 -4.158 488 1HB ARG 62 1HB ARG 62 -7.818 -13.353 -4.533 489 2HB ARG 62 2HB ARG 62 -8.152 -11.805 -3.750 490 1HG ARG 62 1HG ARG 62 -8.872 -10.841 -5.773 491 2HG ARG 62 2HG ARG 62 -8.479 -12.213 -6.758 492 1HD ARG 62 1HD ARG 62 -10.139 -13.595 -5.425 493 2HD ARG 62 2HD ARG 62 -10.710 -12.072 -4.702 494 HE ARG 62 HE ARG 62 -10.589 -11.930 -7.585 495 1HH1 ARG 62 2HH2 ARG 62 -12.425 -13.885 -5.295 496 2HH1 ARG 62 1HH2 ARG 62 -13.793 -14.023 -6.355 497 1HH2 ARG 62 2HH1 ARG 62 -12.494 -11.833 -8.818 498 2HH2 ARG 62 1HH1 ARG 62 -13.763 -12.937 -8.462 499 H SER 63 H SER 63 -3.984 -11.860 -5.670 500 HA SER 63 HA SER 63 -2.700 -12.576 -7.276 501 1HB SER 63 1HB SER 63 -2.840 -14.990 -7.818 502 2HB SER 63 2HB SER 63 -2.652 -14.606 -6.086 503 HG SER 63 HG SER 63 -5.242 -14.870 -6.724 504 H ASP 64 H ASP 64 -4.173 -14.712 -9.175 505 HA ASP 64 HA ASP 64 -6.363 -13.356 -10.311 506 1HB ASP 64 1HB ASP 64 -4.174 -12.081 -11.247 507 2HB ASP 64 2HB ASP 64 -4.107 -13.444 -12.336 508 H ALA 65 H ALA 65 -3.573 -15.404 -11.055 509 HA ALA 65 HA ALA 65 -5.144 -17.411 -12.376 510 1HB ALA 65 1HB ALA 65 -2.296 -17.305 -11.343 511 2HB ALA 65 2HB ALA 65 -2.925 -18.657 -12.298 512 3HB ALA 65 3HB ALA 65 -2.817 -17.030 -13.024 513 H LEU 66 H LEU 66 -6.662 -17.804 -10.766 514 HA LEU 66 HA LEU 66 -5.905 -20.136 -9.132 515 1HB LEU 66 1HB LEU 66 -7.563 -19.246 -7.343 516 2HB LEU 66 2HB LEU 66 -5.900 -18.679 -7.389 517 HG LEU 66 HG LEU 66 -6.509 -16.603 -8.467 518 1HD1 LEU 66 1HD1 LEU 66 -8.956 -16.040 -8.761 519 2HD1 LEU 66 2HD1 LEU 66 -8.368 -17.300 -9.844 520 3HD1 LEU 66 3HD1 LEU 66 -9.335 -17.760 -8.432 521 1HD2 LEU 66 1HD2 LEU 66 -7.849 -15.644 -6.607 522 2HD2 LEU 66 2HD2 LEU 66 -8.262 -17.284 -6.071 523 3HD2 LEU 66 3HD2 LEU 66 -6.583 -16.743 -6.017 524 H SER 67 H SER 67 -7.640 -21.510 -8.425 525 HA SER 67 HA SER 67 -10.247 -21.390 -9.621 526 1HB SER 67 1HB SER 67 -9.859 -23.541 -10.967 527 2HB SER 67 2HB SER 67 -9.202 -22.061 -11.637 528 HG SER 67 HG SER 67 -7.661 -23.499 -11.853 529 H THR 68 H THR 68 -11.218 -23.644 -9.272 530 HA THR 68 HA THR 68 -12.170 -24.881 -7.621 531 HB THR 68 HB THR 68 -11.357 -26.327 -9.175 532 HG1 THR 68 1HG THR 68 -11.816 -27.859 -7.914 533 1HG2 THR 68 1HG2 THR 68 -8.654 -26.593 -7.844 534 2HG2 THR 68 2HG2 THR 68 -9.232 -27.393 -9.314 535 3HG2 THR 68 3HG2 THR 68 -8.947 -25.654 -9.328 536 H ASN 69 H ASN 69 -8.833 -25.438 -6.372 537 HA ASN 69 HA ASN 69 -9.830 -25.785 -3.732 538 1HB ASN 69 1HB ASN 69 -7.028 -25.254 -4.791 539 2HB ASN 69 2HB ASN 69 -7.370 -25.409 -3.071 540 1HD2 ASN 69 1HD2 ASN 69 -5.695 -27.216 -3.452 541 2HD2 ASN 69 2HD2 ASN 69 -6.345 -28.786 -3.829 542 H HIS 70 H HIS 70 -8.746 -22.871 -5.388 543 HA HIS 70 HA HIS 70 -8.064 -20.819 -4.587 544 1HB HIS 70 1HB HIS 70 -10.374 -20.729 -5.426 545 2HB HIS 70 2HB HIS 70 -10.993 -20.982 -3.800 546 HD1 HIS 70 1HD HIS 70 -9.399 -18.853 -2.164 547 HD2 HIS 70 2HD HIS 70 -10.922 -18.247 -6.034 548 HE1 HIS 70 1HE HIS 70 -9.635 -16.344 -2.447 549 H GLY 71 H GLY 71 -6.619 -21.825 -2.948 550 1HA GLY 71 1HA GLY 71 -7.341 -22.234 -0.229 551 2HA GLY 71 2HA GLY 71 -5.694 -21.999 -0.855 552 H HIS 72 H HIS 72 -8.415 -20.452 0.687 553 HA HIS 72 HA HIS 72 -8.830 -18.455 1.571 554 1HB HIS 72 1HB HIS 72 -6.142 -19.060 2.384 555 2HB HIS 72 2HB HIS 72 -6.180 -17.356 1.990 556 HD1 HIS 72 1HD HIS 72 -7.894 -15.803 3.587 557 HD2 HIS 72 2HD HIS 72 -7.308 -19.869 4.581 558 HE1 HIS 72 1HE HIS 72 -8.885 -16.134 5.867 559 H LYS 73 H LYS 73 -8.367 -15.991 1.457 560 HA LYS 73 HA LYS 73 -7.903 -15.229 -1.354 561 1HB LYS 73 1HB LYS 73 -8.808 -13.710 1.094 562 2HB LYS 73 2HB LYS 73 -7.979 -12.854 -0.212 563 1HG LYS 73 1HG LYS 73 -9.633 -13.853 -1.838 564 2HG LYS 73 2HG LYS 73 -10.576 -14.438 -0.463 565 1HD LYS 73 1HD LYS 73 -9.775 -11.521 -0.666 566 2HD LYS 73 2HD LYS 73 -11.084 -12.102 -1.660 567 1HE LYS 73 1HE LYS 73 -11.119 -12.518 1.361 568 2HE LYS 73 2HE LYS 73 -11.607 -10.992 0.619 569 1HZ LYS 73 1HZ LYS 73 -13.562 -12.051 0.733 570 2HZ LYS 73 2HZ LYS 73 -13.152 -12.452 -0.789 571 3HZ LYS 73 3HZ LYS 73 -13.014 -13.556 0.430 572 H VAL 74 H VAL 74 -5.863 -16.010 -1.665 573 HA VAL 74 HA VAL 74 -3.557 -14.759 -0.333 574 HB VAL 74 HB VAL 74 -4.021 -16.406 -2.855 575 1HG1 VAL 74 1HG1 VAL 74 -1.582 -16.553 -3.129 576 2HG1 VAL 74 2HG1 VAL 74 -2.185 -14.925 -3.421 577 3HG1 VAL 74 3HG1 VAL 74 -1.361 -15.291 -1.882 578 1HG2 VAL 74 1HG2 VAL 74 -2.368 -17.054 -0.373 579 2HG2 VAL 74 2HG2 VAL 74 -4.049 -17.561 -0.578 580 3HG2 VAL 74 3HG2 VAL 74 -2.823 -18.153 -1.699 581 H VAL 75 H VAL 75 -2.433 -13.004 -1.401 582 HA VAL 75 HA VAL 75 -3.777 -11.738 -3.663 583 HB VAL 75 HB VAL 75 -3.305 -9.466 -2.720 584 1HG1 VAL 75 1HG1 VAL 75 -5.575 -10.425 -2.690 585 2HG1 VAL 75 2HG1 VAL 75 -5.275 -10.997 -1.029 586 3HG1 VAL 75 3HG1 VAL 75 -5.219 -9.253 -1.439 587 1HG2 VAL 75 1HG2 VAL 75 -1.750 -9.828 -0.933 588 2HG2 VAL 75 2HG2 VAL 75 -3.284 -9.249 -0.224 589 3HG2 VAL 75 3HG2 VAL 75 -2.852 -10.962 -0.128 590 H GLU 76 H GLU 76 -2.038 -9.713 -4.151 591 HA GLU 76 HA GLU 76 0.635 -10.565 -3.699 592 1HB GLU 76 1HB GLU 76 1.352 -10.448 -6.043 593 2HB GLU 76 2HB GLU 76 0.178 -11.748 -5.804 594 1HG GLU 76 1HG GLU 76 -1.607 -10.383 -6.804 595 2HG GLU 76 2HG GLU 76 -0.496 -9.022 -6.986 596 H LEU 77 H LEU 77 2.087 -8.623 -4.625 597 HA LEU 77 HA LEU 77 0.713 -6.081 -3.897 598 1HB LEU 77 1HB LEU 77 3.675 -6.810 -4.115 599 2HB LEU 77 2HB LEU 77 3.071 -5.206 -3.741 600 HG LEU 77 HG LEU 77 2.403 -7.617 -2.000 601 1HD1 LEU 77 1HD1 LEU 77 4.204 -6.952 -0.510 602 2HD1 LEU 77 2HD1 LEU 77 4.865 -7.310 -2.113 603 3HD1 LEU 77 3HD1 LEU 77 4.656 -5.614 -1.586 604 1HD2 LEU 77 1HD2 LEU 77 1.874 -5.960 -0.335 605 2HD2 LEU 77 2HD2 LEU 77 2.499 -4.637 -1.346 606 3HD2 LEU 77 3HD2 LEU 77 1.010 -5.498 -1.806 607 H VAL 78 H VAL 78 0.679 -4.360 -5.348 608 HA VAL 78 HA VAL 78 1.857 -4.544 -7.999 609 HB VAL 78 HB VAL 78 -1.030 -3.979 -8.142 610 1HG1 VAL 78 1HG1 VAL 78 -1.010 -5.310 -10.019 611 2HG1 VAL 78 2HG1 VAL 78 0.565 -4.587 -9.997 612 3HG1 VAL 78 3HG1 VAL 78 0.400 -6.279 -9.462 613 1HG2 VAL 78 1HG2 VAL 78 -2.111 -5.791 -7.674 614 2HG2 VAL 78 2HG2 VAL 78 -0.675 -6.826 -7.367 615 3HG2 VAL 78 3HG2 VAL 78 -1.225 -5.571 -6.220 616 H ALA 79 H ALA 79 1.362 -2.345 -9.103 617 HA ALA 79 HA ALA 79 0.452 -0.219 -7.315 618 1HB ALA 79 1HB ALA 79 2.795 -0.285 -6.612 619 2HB ALA 79 2HB ALA 79 3.336 -0.388 -8.293 620 3HB ALA 79 3HB ALA 79 2.588 1.112 -7.694 621 H GLU 80 H GLU 80 -0.472 1.331 -8.504 622 HA GLU 80 HA GLU 80 -0.251 1.241 -11.482 623 1HB GLU 80 1HB GLU 80 -2.681 0.517 -9.899 624 2HB GLU 80 2HB GLU 80 -2.816 1.360 -11.434 625 1HG GLU 80 1HG GLU 80 -3.052 -0.845 -12.018 626 2HG GLU 80 2HG GLU 80 -1.410 -0.434 -12.491 627 H MET 81 H MET 81 0.676 3.340 -11.418 628 HA MET 81 HA MET 81 -0.034 5.286 -9.540 629 1HB MET 81 1HB MET 81 1.225 6.848 -10.754 630 2HB MET 81 2HB MET 81 2.052 5.299 -10.838 631 1HG MET 81 1HG MET 81 1.245 4.961 -13.146 632 2HG MET 81 2HG MET 81 0.317 6.453 -13.071 633 1HE MET 81 1HE MET 81 2.975 9.248 -13.062 634 2HE MET 81 2HE MET 81 1.303 8.781 -12.688 635 3HE MET 81 3HE MET 81 2.603 8.451 -11.523 636 H ASP 82 H ASP 82 -1.406 4.741 -12.782 637 HA ASP 82 HA ASP 82 -3.275 7.009 -12.348 638 1HB ASP 82 1HB ASP 82 -2.034 6.685 -14.538 639 2HB ASP 82 2HB ASP 82 -3.105 5.304 -14.839 640 H GLY 83 H GLY 83 -3.288 4.208 -10.975 641 1HA GLY 83 1HA GLY 83 -4.644 2.552 -10.415 642 2HA GLY 83 2HA GLY 83 -6.008 3.702 -10.601 643 H ILE 84 H ILE 84 -3.777 2.688 -13.028 644 HA ILE 84 HA ILE 84 -5.077 2.510 -15.282 645 HB ILE 84 HB ILE 84 -2.960 0.611 -14.240 646 1HG1 ILE 84 1HG1 ILE 84 -2.829 3.078 -16.040 647 2HG1 ILE 84 2HG1 ILE 84 -2.420 3.044 -14.326 648 1HG2 ILE 84 1HG2 ILE 84 -4.054 -0.544 -16.056 649 2HG2 ILE 84 2HG2 ILE 84 -4.025 0.910 -17.063 650 3HG2 ILE 84 3HG2 ILE 84 -2.512 0.073 -16.651 651 1HD1 ILE 84 1HD1 ILE 84 -0.607 1.378 -14.810 652 2HD1 ILE 84 2HD1 ILE 84 -0.912 1.641 -16.548 653 3HD1 ILE 84 3HD1 ILE 84 -0.376 2.984 -15.531 654 H GLN 85 H GLN 85 -4.904 -0.367 -13.232 655 HA GLN 85 HA GLN 85 -7.621 -1.068 -13.833 656 1HB GLN 85 1HB GLN 85 -5.325 -3.039 -14.331 657 2HB GLN 85 2HB GLN 85 -7.019 -3.512 -14.133 658 1HG GLN 85 1HG GLN 85 -7.628 -2.066 -16.089 659 2HG GLN 85 2HG GLN 85 -5.910 -1.797 -16.371 660 1HE2 GLN 85 1HE2 GLN 85 -8.536 -3.880 -17.085 661 2HE2 GLN 85 2HE2 GLN 85 -7.569 -5.222 -17.720 662 H TYR 86 H TYR 86 -7.678 -3.219 -12.392 663 HA TYR 86 HA TYR 86 -7.839 -4.128 -10.350 664 1HB TYR 86 1HB TYR 86 -5.188 -2.852 -9.652 665 2HB TYR 86 2HB TYR 86 -5.905 -4.289 -8.955 666 HD1 TYR 86 1HD TYR 86 -6.563 -6.184 -10.823 667 HD2 TYR 86 2HD TYR 86 -3.521 -3.163 -11.225 668 HE1 TYR 86 1HE TYR 86 -5.408 -7.581 -12.533 669 HE2 TYR 86 2HE TYR 86 -2.280 -4.572 -12.787 670 HH TYR 86 HH TYR 86 -3.688 -7.509 -14.241 671 H GLY 87 H GLY 87 -6.523 -0.798 -9.615 672 1HA GLY 87 1HA GLY 87 -7.596 -0.515 -7.093 673 2HA GLY 87 2HA GLY 87 -7.449 0.831 -8.242 674 H ARG 88 H ARG 88 -9.235 0.758 -9.990 675 HA ARG 88 HA ARG 88 -11.837 0.857 -8.649 676 1HB ARG 88 1HB ARG 88 -10.801 2.515 -10.375 677 2HB ARG 88 2HB ARG 88 -11.178 1.324 -11.581 678 1HG ARG 88 1HG ARG 88 -12.938 2.787 -11.718 679 2HG ARG 88 2HG ARG 88 -13.653 1.505 -10.732 680 1HD ARG 88 1HD ARG 88 -13.571 2.831 -8.762 681 2HD ARG 88 2HD ARG 88 -12.276 3.848 -9.403 682 HE ARG 88 HE ARG 88 -14.959 3.899 -10.660 683 1HH1 ARG 88 2HH2 ARG 88 -12.564 5.667 -8.721 684 2HH1 ARG 88 1HH2 ARG 88 -12.767 7.149 -9.584 685 1HH2 ARG 88 2HH1 ARG 88 -15.219 5.920 -11.753 686 2HH2 ARG 88 1HH1 ARG 88 -14.412 7.334 -11.157 687 H SER 89 H SER 89 -11.070 -1.767 -8.416 688 HA SER 89 HA SER 89 -13.015 -3.204 -10.055 689 1HB SER 89 1HB SER 89 -10.225 -4.356 -9.785 690 2HB SER 89 2HB SER 89 -11.513 -4.842 -10.866 691 HG SER 89 HG SER 89 -10.726 -3.533 -12.303 692 H GLY 90 H GLY 90 -13.491 -5.330 -9.048 693 1HA GLY 90 1HA GLY 90 -13.400 -5.122 -6.110 694 2HA GLY 90 2HA GLY 90 -14.475 -6.120 -7.089 695 H ILE 91 H ILE 91 -11.830 -7.011 -8.610 696 HA ILE 91 HA ILE 91 -10.926 -9.228 -7.072 697 HB ILE 91 HB ILE 91 -10.311 -9.354 -9.263 698 1HG1 ILE 91 1HG1 ILE 91 -7.756 -8.323 -8.168 699 2HG1 ILE 91 2HG1 ILE 91 -8.430 -9.924 -7.829 700 1HG2 ILE 91 1HG2 ILE 91 -9.247 -6.498 -9.241 701 2HG2 ILE 91 2HG2 ILE 91 -9.210 -7.585 -10.636 702 3HG2 ILE 91 3HG2 ILE 91 -10.747 -7.046 -10.027 703 1HD1 ILE 91 1HD1 ILE 91 -6.818 -10.235 -9.540 704 2HD1 ILE 91 2HD1 ILE 91 -8.406 -10.392 -10.307 705 3HD1 ILE 91 3HD1 ILE 91 -7.449 -8.905 -10.513 706 H THR 92 H THR 92 -10.331 -5.793 -6.668 707 HA THR 92 HA THR 92 -7.828 -6.288 -5.327 708 HB THR 92 HB THR 92 -9.090 -3.679 -6.164 709 HG1 THR 92 1HG THR 92 -8.468 -4.085 -8.074 710 1HG2 THR 92 1HG2 THR 92 -6.799 -2.898 -6.293 711 2HG2 THR 92 2HG2 THR 92 -6.999 -3.629 -4.684 712 3HG2 THR 92 3HG2 THR 92 -6.165 -4.524 -5.970 713 H LEU 93 H LEU 93 -7.592 -6.154 -3.192 714 HA LEU 93 HA LEU 93 -10.095 -5.988 -1.672 715 1HB LEU 93 1HB LEU 93 -7.509 -6.746 -0.421 716 2HB LEU 93 2HB LEU 93 -9.148 -7.212 -0.018 717 HG LEU 93 HG LEU 93 -7.508 -8.182 -2.402 718 1HD1 LEU 93 1HD1 LEU 93 -6.896 -9.041 -0.176 719 2HD1 LEU 93 2HD1 LEU 93 -8.576 -9.554 0.079 720 3HD1 LEU 93 3HD1 LEU 93 -7.597 -10.308 -1.213 721 1HD2 LEU 93 1HD2 LEU 93 -9.309 -9.750 -2.934 722 2HD2 LEU 93 2HD2 LEU 93 -10.330 -9.067 -1.634 723 3HD2 LEU 93 3HD2 LEU 93 -9.923 -8.108 -3.065 724 H GLY 94 H GLY 94 -6.989 -4.126 -1.864 725 1HA GLY 94 1HA GLY 94 -8.339 -1.789 -1.012 726 2HA GLY 94 2HA GLY 94 -7.369 -2.383 0.338 727 H VAL 95 H VAL 95 -6.436 -0.199 -0.183 728 HA VAL 95 HA VAL 95 -4.050 -0.421 -1.969 729 HB VAL 95 HB VAL 95 -5.313 2.001 -0.602 730 1HG1 VAL 95 1HG1 VAL 95 -2.957 1.913 -2.533 731 2HG1 VAL 95 2HG1 VAL 95 -3.766 3.399 -2.044 732 3HG1 VAL 95 3HG1 VAL 95 -2.912 2.469 -0.835 733 1HG2 VAL 95 1HG2 VAL 95 -6.160 2.902 -2.486 734 2HG2 VAL 95 2HG2 VAL 95 -5.124 1.930 -3.520 735 3HG2 VAL 95 3HG2 VAL 95 -6.542 1.184 -2.711 736 H LEU 96 H LEU 96 -2.081 0.377 -0.921 737 HA LEU 96 HA LEU 96 -1.962 -0.326 1.974 738 1HB LEU 96 1HB LEU 96 -0.021 -0.795 -0.325 739 2HB LEU 96 2HB LEU 96 0.388 -1.009 1.368 740 HG LEU 96 HG LEU 96 -1.802 -2.505 -0.080 741 1HD1 LEU 96 1HD1 LEU 96 1.054 -3.240 0.689 742 2HD1 LEU 96 2HD1 LEU 96 -0.150 -4.439 0.169 743 3HD1 LEU 96 3HD1 LEU 96 0.355 -3.157 -0.949 744 1HD2 LEU 96 1HD2 LEU 96 -2.294 -2.422 2.314 745 2HD2 LEU 96 2HD2 LEU 96 -1.793 -4.046 1.842 746 3HD2 LEU 96 3HD2 LEU 96 -0.648 -2.975 2.694 747 H VAL 97 H VAL 97 -0.683 0.849 3.225 748 HA VAL 97 HA VAL 97 0.667 3.302 2.245 749 HB VAL 97 HB VAL 97 -0.625 4.669 3.879 750 1HG1 VAL 97 1HG1 VAL 97 -2.486 3.373 1.847 751 2HG1 VAL 97 2HG1 VAL 97 -2.584 5.003 2.522 752 3HG1 VAL 97 3HG1 VAL 97 -1.246 4.583 1.451 753 1HG2 VAL 97 1HG2 VAL 97 -1.406 2.857 5.396 754 2HG2 VAL 97 2HG2 VAL 97 -2.742 3.843 4.812 755 3HG2 VAL 97 3HG2 VAL 97 -2.461 2.234 4.120 756 HA PRO 98 HA PRO 98 3.208 2.332 5.812 757 1HB PRO 98 1HB PRO 98 4.031 4.979 6.493 758 2HB PRO 98 2HB PRO 98 4.870 3.821 5.438 759 1HG PRO 98 1HG PRO 98 3.487 6.242 4.611 760 2HG PRO 98 2HG PRO 98 4.365 5.044 3.630 761 1HD PRO 98 1HD PRO 98 1.487 5.384 4.013 762 2HD PRO 98 2HD PRO 98 2.371 4.456 2.766 763 H HIS 99 H HIS 99 2.560 1.886 7.777 764 HA HIS 99 HA HIS 99 0.364 3.293 9.144 765 1HB HIS 99 1HB HIS 99 0.198 0.937 9.331 766 2HB HIS 99 2HB HIS 99 1.916 0.747 9.617 767 HD1 HIS 99 1HD HIS 99 2.534 0.246 12.072 768 HD2 HIS 99 2HD HIS 99 -0.984 2.569 11.570 769 HE1 HIS 99 1HE HIS 99 1.689 0.739 14.361 770 H VAL 100 H VAL 100 0.817 4.943 10.485 771 HA VAL 100 HA VAL 100 3.383 4.990 12.006 772 HB VAL 100 HB VAL 100 3.401 7.442 11.711 773 1HG1 VAL 100 1HG1 VAL 100 4.298 7.470 9.444 774 2HG1 VAL 100 2HG1 VAL 100 4.840 6.048 10.338 775 3HG1 VAL 100 3HG1 VAL 100 3.575 5.890 9.102 776 1HG2 VAL 100 1HG2 VAL 100 0.924 7.642 11.044 777 2HG2 VAL 100 2HG2 VAL 100 2.054 8.548 10.044 778 3HG2 VAL 100 3HG2 VAL 100 1.415 7.036 9.446 779 H GLY 101 H GLY 101 1.024 3.829 13.098 780 1HA GLY 101 1HA GLY 101 -0.091 3.932 15.106 781 2HA GLY 101 2HA GLY 101 0.854 5.373 15.503 782 H GLU 102 H GLU 102 -1.070 5.293 12.644 783 HA GLU 102 HA GLU 102 -2.366 7.708 13.027 784 1HB GLU 102 1HB GLU 102 -1.728 6.059 10.981 785 2HB GLU 102 2HB GLU 102 -3.431 5.673 11.112 786 1HG GLU 102 1HG GLU 102 -3.593 7.369 9.692 787 2HG GLU 102 2HG GLU 102 -3.683 8.355 11.149 788 H THR 103 H THR 103 -3.224 5.234 14.662 789 HA THR 103 HA THR 103 -4.957 4.338 15.844 790 HB THR 103 HB THR 103 -6.098 6.986 15.088 791 HG1 THR 103 1HG THR 103 -4.447 7.423 16.247 792 1HG2 THR 103 1HG2 THR 103 -7.923 5.470 15.861 793 2HG2 THR 103 2HG2 THR 103 -6.977 5.107 17.330 794 3HG2 THR 103 3HG2 THR 103 -7.596 6.752 17.033 795 HA PRO 104 HA PRO 104 -7.089 2.567 12.251 796 1HB PRO 104 1HB PRO 104 -7.342 -0.019 13.384 797 2HB PRO 104 2HB PRO 104 -6.051 0.535 12.311 798 1HG PRO 104 1HG PRO 104 -6.037 0.198 15.263 799 2HG PRO 104 2HG PRO 104 -4.675 0.082 14.109 800 1HD PRO 104 1HD PRO 104 -5.188 2.245 15.795 801 2HD PRO 104 2HD PRO 104 -4.204 2.332 14.305 802 H ILE 105 H ILE 105 -9.023 1.407 11.984 803 HA ILE 105 HA ILE 105 -11.070 1.684 14.146 804 HB ILE 105 HB ILE 105 -12.678 2.045 12.280 805 1HG1 ILE 105 1HG1 ILE 105 -10.972 1.161 10.474 806 2HG1 ILE 105 2HG1 ILE 105 -12.162 2.371 10.083 807 1HG2 ILE 105 1HG2 ILE 105 -11.936 3.874 13.685 808 2HG2 ILE 105 2HG2 ILE 105 -10.505 4.157 12.685 809 3HG2 ILE 105 3HG2 ILE 105 -12.123 4.453 12.018 810 1HD1 ILE 105 1HD1 ILE 105 -10.541 4.145 10.162 811 2HD1 ILE 105 2HD1 ILE 105 -9.291 3.098 10.790 812 3HD1 ILE 105 3HD1 ILE 105 -9.914 2.843 9.140 813 H ALA 106 H ALA 106 -9.463 -0.451 11.920 814 HA ALA 106 HA ALA 106 -10.912 -2.706 12.940 815 1HB ALA 106 1HB ALA 106 -11.666 -3.579 10.771 816 2HB ALA 106 2HB ALA 106 -12.386 -1.978 10.986 817 3HB ALA 106 3HB ALA 106 -10.997 -2.178 9.919 818 H TYR 107 H TYR 107 -9.950 -4.682 11.494 819 HA TYR 107 HA TYR 107 -7.209 -4.183 10.551 820 1HB TYR 107 1HB TYR 107 -7.983 -6.256 12.647 821 2HB TYR 107 2HB TYR 107 -6.580 -6.406 11.591 822 HD1 TYR 107 1HD TYR 107 -8.076 -4.191 14.206 823 HD2 TYR 107 2HD TYR 107 -4.550 -5.288 11.993 824 HE1 TYR 107 1HE TYR 107 -6.735 -2.692 15.628 825 HE2 TYR 107 2HE TYR 107 -3.189 -3.762 13.349 826 HH TYR 107 HH TYR 107 -4.647 -1.939 16.139 827 H ARG 108 H ARG 108 -6.665 -5.726 9.015 828 HA ARG 108 HA ARG 108 -8.771 -7.546 7.970 829 1HB ARG 108 1HB ARG 108 -7.275 -5.349 6.613 830 2HB ARG 108 2HB ARG 108 -7.352 -6.864 5.725 831 1HG ARG 108 1HG ARG 108 -9.870 -5.609 6.900 832 2HG ARG 108 2HG ARG 108 -9.238 -5.148 5.325 833 1HD ARG 108 1HD ARG 108 -9.198 -7.657 4.749 834 2HD ARG 108 2HD ARG 108 -10.244 -7.878 6.149 835 HE ARG 108 HE ARG 108 -10.798 -6.443 3.617 836 1HH1 ARG 108 2HH2 ARG 108 -12.091 -7.331 6.836 837 2HH1 ARG 108 1HH2 ARG 108 -13.685 -6.784 6.434 838 1HH2 ARG 108 2HH1 ARG 108 -12.877 -5.800 3.136 839 2HH2 ARG 108 1HH1 ARG 108 -14.186 -6.009 4.227 840 H ASN 109 H ASN 109 -7.707 -9.343 6.640 841 HA ASN 109 HA ASN 109 -4.873 -9.832 7.320 842 1HB ASN 109 1HB ASN 109 -6.002 -11.120 9.000 843 2HB ASN 109 2HB ASN 109 -7.227 -11.687 7.853 844 1HD2 ASN 109 1HD2 ASN 109 -6.726 -13.446 6.450 845 2HD2 ASN 109 2HD2 ASN 109 -5.202 -14.318 6.623 846 H VAL 110 H VAL 110 -3.814 -10.931 5.628 847 HA VAL 110 HA VAL 110 -5.346 -12.092 3.400 848 HB VAL 110 HB VAL 110 -3.626 -11.023 1.865 849 1HG1 VAL 110 1HG1 VAL 110 -5.702 -9.179 3.113 850 2HG1 VAL 110 2HG1 VAL 110 -4.970 -9.016 1.508 851 3HG1 VAL 110 3HG1 VAL 110 -6.004 -10.403 1.859 852 1HG2 VAL 110 1HG2 VAL 110 -2.164 -10.074 3.759 853 2HG2 VAL 110 2HG2 VAL 110 -2.558 -8.957 2.434 854 3HG2 VAL 110 3HG2 VAL 110 -3.405 -8.856 3.990 855 H LEU 111 H LEU 111 -3.637 -13.438 1.964 856 HA LEU 111 HA LEU 111 -1.315 -14.268 3.627 857 1HB LEU 111 1HB LEU 111 -2.987 -15.677 1.477 858 2HB LEU 111 2HB LEU 111 -1.353 -16.194 1.781 859 HG LEU 111 HG LEU 111 -3.089 -17.617 2.512 860 1HD1 LEU 111 1HD1 LEU 111 -1.552 -16.772 4.949 861 2HD1 LEU 111 2HD1 LEU 111 -2.133 -18.384 4.540 862 3HD1 LEU 111 3HD1 LEU 111 -0.817 -17.653 3.610 863 1HD2 LEU 111 1HD2 LEU 111 -3.731 -15.588 4.645 864 2HD2 LEU 111 2HD2 LEU 111 -4.751 -16.024 3.248 865 3HD2 LEU 111 3HD2 LEU 111 -4.401 -17.235 4.498 866 H LEU 112 H LEU 112 0.537 -14.527 2.334 867 HA LEU 112 HA LEU 112 0.641 -13.089 -0.295 868 1HB LEU 112 1HB LEU 112 1.961 -12.424 2.059 869 2HB LEU 112 2HB LEU 112 3.130 -13.466 1.319 870 HG LEU 112 HG LEU 112 2.006 -10.834 0.306 871 1HD1 LEU 112 1HD1 LEU 112 4.846 -11.867 0.771 872 2HD1 LEU 112 2HD1 LEU 112 4.373 -10.201 0.361 873 3HD1 LEU 112 3HD1 LEU 112 3.876 -10.902 1.913 874 1HD2 LEU 112 1HD2 LEU 112 3.716 -12.737 -1.349 875 2HD2 LEU 112 2HD2 LEU 112 2.066 -12.153 -1.743 876 3HD2 LEU 112 3HD2 LEU 112 3.422 -11.035 -1.720 877 H ARG 113 H ARG 113 1.862 -14.131 -1.936 878 HA ARG 113 HA ARG 113 2.333 -17.004 -1.688 879 1HB ARG 113 1HB ARG 113 2.876 -14.889 -3.814 880 2HB ARG 113 2HB ARG 113 3.596 -16.492 -3.943 881 1HG ARG 113 1HG ARG 113 1.612 -17.544 -4.421 882 2HG ARG 113 2HG ARG 113 0.699 -16.513 -3.317 883 1HD ARG 113 1HD ARG 113 -0.142 -16.058 -5.439 884 2HD ARG 113 2HD ARG 113 0.790 -14.657 -4.911 885 HE ARG 113 HE ARG 113 2.327 -16.528 -6.565 886 1HH1 ARG 113 2HH2 ARG 113 0.168 -13.732 -6.545 887 2HH1 ARG 113 1HH2 ARG 113 0.367 -13.287 -8.185 888 1HH2 ARG 113 2HH1 ARG 113 2.563 -16.047 -8.894 889 2HH2 ARG 113 1HH1 ARG 113 1.881 -14.577 -9.524 890 H LYS 114 H LYS 114 4.064 -17.957 -0.928 891 HA LYS 114 HA LYS 114 6.617 -16.430 -0.713 892 1HB LYS 114 1HB LYS 114 5.418 -18.311 1.172 893 2HB LYS 114 2HB LYS 114 6.929 -18.970 0.538 894 1HG LYS 114 1HG LYS 114 8.075 -16.814 1.004 895 2HG LYS 114 2HG LYS 114 6.583 -16.181 1.694 896 1HD LYS 114 1HD LYS 114 6.685 -18.061 3.416 897 2HD LYS 114 2HD LYS 114 8.264 -18.503 2.715 898 1HE LYS 114 1HE LYS 114 8.824 -15.948 3.019 899 2HE LYS 114 2HE LYS 114 7.447 -15.929 4.124 900 1HZ LYS 114 1HZ LYS 114 9.915 -17.517 4.350 901 2HZ LYS 114 2HZ LYS 114 9.426 -16.286 5.333 902 3HZ LYS 114 3HZ LYS 114 8.652 -17.749 5.367 903 H ASN 115 H ASN 115 7.167 -16.517 -2.777 904 HA ASN 115 HA ASN 115 6.924 -18.662 -4.587 905 1HB ASN 115 1HB ASN 115 9.096 -17.578 -5.594 906 2HB ASN 115 2HB ASN 115 7.547 -16.803 -5.699 907 1HD2 ASN 115 1HD2 ASN 115 10.787 -16.523 -4.068 908 2HD2 ASN 115 2HD2 ASN 115 10.517 -14.823 -3.859 909 H GLY 116 H GLY 116 9.705 -17.882 -2.426 910 1HA GLY 116 1HA GLY 116 11.009 -20.069 -1.700 911 2HA GLY 116 2HA GLY 116 11.084 -20.261 -3.461 Start of MODEL 14 1 1H GLY 1 H GLY 1 3.562 -22.747 3.967 2 1HA GLY 1 1HA GLY 1 2.643 -22.974 1.167 3 2HA GLY 1 2HA GLY 1 1.557 -22.798 2.572 4 H HIS 2 H HIS 2 0.759 -20.918 1.266 5 HA HIS 2 HA HIS 2 2.287 -18.468 1.015 6 1HB HIS 2 1HB HIS 2 -0.721 -18.887 1.499 7 2HB HIS 2 2HB HIS 2 0.049 -17.398 1.118 8 HD1 HIS 2 1HD HIS 2 0.025 -20.859 -0.751 9 HD2 HIS 2 2HD HIS 2 -0.262 -16.703 -1.214 10 HE1 HIS 2 1HE HIS 2 -0.213 -20.440 -3.260 11 H VAL 3 H VAL 3 2.169 -16.687 2.484 12 HA VAL 3 HA VAL 3 2.057 -17.456 5.385 13 HB VAL 3 HB VAL 3 3.605 -15.426 3.837 14 1HG1 VAL 3 1HG1 VAL 3 2.913 -14.080 5.628 15 2HG1 VAL 3 2HG1 VAL 3 3.322 -15.341 6.829 16 3HG1 VAL 3 3HG1 VAL 3 4.601 -14.515 5.904 17 1HG2 VAL 3 1HG2 VAL 3 4.566 -17.739 4.131 18 2HG2 VAL 3 2HG2 VAL 3 5.573 -16.508 4.930 19 3HG2 VAL 3 3HG2 VAL 3 4.468 -17.519 5.876 20 H GLN 4 H GLN 4 0.899 -16.215 6.730 21 HA GLN 4 HA GLN 4 -1.334 -14.612 5.610 22 1HB GLN 4 1HB GLN 4 -0.858 -16.255 7.995 23 2HB GLN 4 2HB GLN 4 -1.483 -14.681 8.430 24 1HG GLN 4 1HG GLN 4 -3.365 -15.097 6.808 25 2HG GLN 4 2HG GLN 4 -2.689 -16.703 6.519 26 1HE2 GLN 4 1HE2 GLN 4 -4.020 -14.618 9.198 27 2HE2 GLN 4 2HE2 GLN 4 -4.233 -15.968 10.276 28 H LEU 5 H LEU 5 -1.373 -12.451 5.671 29 HA LEU 5 HA LEU 5 0.432 -11.063 7.494 30 1HB LEU 5 1HB LEU 5 -0.262 -10.160 4.685 31 2HB LEU 5 2HB LEU 5 0.779 -9.329 5.829 32 HG LEU 5 HG LEU 5 1.379 -12.012 4.482 33 1HD1 LEU 5 1HD1 LEU 5 3.052 -10.651 3.223 34 2HD1 LEU 5 2HD1 LEU 5 1.383 -10.160 2.898 35 3HD1 LEU 5 3HD1 LEU 5 2.389 -9.183 3.973 36 1HD2 LEU 5 1HD2 LEU 5 3.702 -11.638 5.343 37 2HD2 LEU 5 2HD2 LEU 5 3.087 -10.268 6.316 38 3HD2 LEU 5 3HD2 LEU 5 2.509 -11.900 6.609 39 H SER 6 H SER 6 -0.758 -10.361 8.999 40 HA SER 6 HA SER 6 -3.342 -9.112 8.369 41 1HB SER 6 1HB SER 6 -2.081 -9.126 11.075 42 2HB SER 6 2HB SER 6 -3.742 -8.974 10.580 43 HG SER 6 HG SER 6 -2.225 -11.328 10.189 44 H LEU 7 H LEU 7 -3.855 -6.952 8.647 45 HA LEU 7 HA LEU 7 -1.611 -5.046 8.970 46 1HB LEU 7 1HB LEU 7 -3.626 -5.063 6.685 47 2HB LEU 7 2HB LEU 7 -2.543 -3.730 7.034 48 HG LEU 7 HG LEU 7 -1.549 -6.518 6.295 49 1HD1 LEU 7 1HD1 LEU 7 -2.868 -5.565 4.447 50 2HD1 LEU 7 2HD1 LEU 7 -1.943 -4.057 4.561 51 3HD1 LEU 7 3HD1 LEU 7 -1.139 -5.560 4.056 52 1HD2 LEU 7 1HD2 LEU 7 0.121 -5.130 7.506 53 2HD2 LEU 7 2HD2 LEU 7 0.572 -5.366 5.818 54 3HD2 LEU 7 3HD2 LEU 7 -0.127 -3.815 6.335 55 HA PRO 8 HA PRO 8 -4.904 -3.028 11.214 56 1HB PRO 8 1HB PRO 8 -3.756 -0.694 11.838 57 2HB PRO 8 2HB PRO 8 -3.080 -2.196 12.444 58 1HG PRO 8 1HG PRO 8 -2.132 -0.679 9.995 59 2HG PRO 8 2HG PRO 8 -1.159 -1.251 11.391 60 1HD PRO 8 1HD PRO 8 -1.469 -2.757 9.104 61 2HD PRO 8 2HD PRO 8 -1.319 -3.482 10.716 62 H VAL 9 H VAL 9 -6.700 -2.080 10.456 63 HA VAL 9 HA VAL 9 -6.781 -0.920 7.757 64 HB VAL 9 HB VAL 9 -8.984 -1.487 9.799 65 1HG1 VAL 9 1HG1 VAL 9 -10.539 -1.220 8.043 66 2HG1 VAL 9 2HG1 VAL 9 -9.488 0.174 7.942 67 3HG1 VAL 9 3HG1 VAL 9 -9.268 -1.186 6.803 68 1HG2 VAL 9 1HG2 VAL 9 -9.521 -3.493 8.442 69 2HG2 VAL 9 2HG2 VAL 9 -8.089 -3.192 7.426 70 3HG2 VAL 9 3HG2 VAL 9 -7.902 -3.618 9.134 71 H LEU 10 H LEU 10 -6.666 1.308 7.539 72 HA LEU 10 HA LEU 10 -6.979 3.048 9.938 73 1HB LEU 10 1HB LEU 10 -4.808 3.053 7.800 74 2HB LEU 10 2HB LEU 10 -5.058 4.374 8.937 75 HG LEU 10 HG LEU 10 -4.579 1.564 9.986 76 1HD1 LEU 10 1HD1 LEU 10 -2.246 1.801 9.953 77 2HD1 LEU 10 2HD1 LEU 10 -2.756 2.235 8.314 78 3HD1 LEU 10 3HD1 LEU 10 -2.328 3.511 9.449 79 1HD2 LEU 10 1HD2 LEU 10 -3.746 2.718 11.944 80 2HD2 LEU 10 2HD2 LEU 10 -3.797 4.291 11.109 81 3HD2 LEU 10 3HD2 LEU 10 -5.299 3.467 11.503 82 H GLN 11 H GLN 11 -7.924 5.068 9.434 83 HA GLN 11 HA GLN 11 -9.551 5.065 7.002 84 1HB GLN 11 1HB GLN 11 -9.255 7.022 9.335 85 2HB GLN 11 2HB GLN 11 -10.217 7.334 7.892 86 1HG GLN 11 1HG GLN 11 -11.238 4.954 8.458 87 2HG GLN 11 2HG GLN 11 -10.773 5.438 10.108 88 1HE2 GLN 11 1HE2 GLN 11 -12.995 5.939 7.458 89 2HE2 GLN 11 2HE2 GLN 11 -13.918 7.243 8.167 90 H VAL 12 H VAL 12 -9.083 6.164 5.109 91 HA VAL 12 HA VAL 12 -6.449 6.983 4.635 92 HB VAL 12 HB VAL 12 -8.079 6.048 3.027 93 1HG1 VAL 12 1HG1 VAL 12 -10.098 7.286 3.460 94 2HG1 VAL 12 2HG1 VAL 12 -9.333 8.823 3.046 95 3HG1 VAL 12 3HG1 VAL 12 -9.583 7.583 1.791 96 1HG2 VAL 12 1HG2 VAL 12 -7.301 7.220 1.094 97 2HG2 VAL 12 2HG2 VAL 12 -6.851 8.642 2.055 98 3HG2 VAL 12 3HG2 VAL 12 -5.988 7.101 2.270 99 H ARG 13 H ARG 13 -9.034 8.692 6.150 100 HA ARG 13 HA ARG 13 -8.236 11.336 5.319 101 1HB ARG 13 1HB ARG 13 -9.559 12.044 7.380 102 2HB ARG 13 2HB ARG 13 -10.451 11.293 6.058 103 1HG ARG 13 1HG ARG 13 -10.912 9.367 7.223 104 2HG ARG 13 2HG ARG 13 -9.471 9.469 8.232 105 1HD ARG 13 1HD ARG 13 -10.959 11.714 8.950 106 2HD ARG 13 2HD ARG 13 -12.153 10.423 8.708 107 HE ARG 13 HE ARG 13 -10.199 9.193 10.208 108 1HH1 ARG 13 2HH2 ARG 13 -12.013 12.187 10.761 109 2HH1 ARG 13 1HH2 ARG 13 -11.869 12.091 12.493 110 1HH2 ARG 13 2HH1 ARG 13 -9.701 9.266 12.326 111 2HH2 ARG 13 1HH1 ARG 13 -10.511 10.354 13.433 112 H ASP 14 H ASP 14 -7.563 9.177 8.056 113 HA ASP 14 HA ASP 14 -6.083 11.086 9.634 114 1HB ASP 14 1HB ASP 14 -6.562 8.098 9.686 115 2HB ASP 14 2HB ASP 14 -5.367 8.805 10.749 116 H VAL 15 H VAL 15 -5.493 8.649 7.268 117 HA VAL 15 HA VAL 15 -2.678 8.383 7.471 118 HB VAL 15 HB VAL 15 -4.462 7.708 5.106 119 1HG1 VAL 15 1HG1 VAL 15 -2.089 7.660 4.600 120 2HG1 VAL 15 2HG1 VAL 15 -1.744 6.749 6.072 121 3HG1 VAL 15 3HG1 VAL 15 -2.678 6.011 4.747 122 1HG2 VAL 15 1HG2 VAL 15 -4.843 5.545 6.027 123 2HG2 VAL 15 2HG2 VAL 15 -3.518 5.682 7.191 124 3HG2 VAL 15 3HG2 VAL 15 -4.995 6.530 7.489 125 H LEU 16 H LEU 16 -2.524 10.755 7.773 126 HA LEU 16 HA LEU 16 -2.456 12.707 5.823 127 1HB LEU 16 1HB LEU 16 -0.643 11.973 8.150 128 2HB LEU 16 2HB LEU 16 -0.416 13.473 7.257 129 HG LEU 16 HG LEU 16 -3.160 12.783 8.391 130 1HD1 LEU 16 1HD1 LEU 16 -0.926 14.211 9.869 131 2HD1 LEU 16 2HD1 LEU 16 -2.618 14.037 10.408 132 3HD1 LEU 16 3HD1 LEU 16 -1.592 12.604 10.279 133 1HD2 LEU 16 1HD2 LEU 16 -3.469 15.177 8.282 134 2HD2 LEU 16 2HD2 LEU 16 -1.752 15.422 7.868 135 3HD2 LEU 16 3HD2 LEU 16 -2.834 14.607 6.724 136 H VAL 17 H VAL 17 -0.612 9.872 5.694 137 HA VAL 17 HA VAL 17 0.703 10.822 3.254 138 HB VAL 17 HB VAL 17 2.189 9.195 5.382 139 1HG1 VAL 17 1HG1 VAL 17 3.097 10.027 2.589 140 2HG1 VAL 17 2HG1 VAL 17 4.146 9.338 3.836 141 3HG1 VAL 17 3HG1 VAL 17 2.837 8.371 3.181 142 1HG2 VAL 17 1HG2 VAL 17 2.224 11.491 6.016 143 2HG2 VAL 17 2HG2 VAL 17 3.800 11.135 5.299 144 3HG2 VAL 17 3HG2 VAL 17 2.596 12.023 4.351 145 H ARG 18 H ARG 18 -0.502 9.810 1.856 146 HA ARG 18 HA ARG 18 -1.050 6.891 2.057 147 1HB ARG 18 1HB ARG 18 -2.410 8.504 0.037 148 2HB ARG 18 2HB ARG 18 -2.899 7.103 0.968 149 1HG ARG 18 1HG ARG 18 -4.294 8.796 1.814 150 2HG ARG 18 2HG ARG 18 -3.032 8.698 2.971 151 1HD ARG 18 1HD ARG 18 -1.971 10.682 1.971 152 2HD ARG 18 2HD ARG 18 -2.980 10.542 0.544 153 HE ARG 18 HE ARG 18 -4.624 11.128 2.782 154 1HH1 ARG 18 2HH2 ARG 18 -1.859 12.473 1.055 155 2HH1 ARG 18 1HH2 ARG 18 -2.464 14.081 0.911 156 1HH2 ARG 18 2HH1 ARG 18 -5.463 13.261 2.712 157 2HH2 ARG 18 1HH1 ARG 18 -4.675 14.531 1.779 158 H GLY 19 H GLY 19 1.608 8.277 1.216 159 1HA GLY 19 1HA GLY 19 1.778 7.237 -1.534 160 2HA GLY 19 2HA GLY 19 2.489 8.788 -1.054 161 H PHE 20 H PHE 20 3.260 5.567 -1.342 162 HA PHE 20 HA PHE 20 5.279 5.527 0.871 163 1HB PHE 20 1HB PHE 20 4.680 3.634 -1.418 164 2HB PHE 20 2HB PHE 20 6.081 3.551 -0.383 165 HD1 PHE 20 1HD PHE 20 2.751 2.524 -0.772 166 HD2 PHE 20 2HD PHE 20 5.761 3.311 2.216 167 HE1 PHE 20 1HE PHE 20 1.611 0.963 0.771 168 HE2 PHE 20 2HE PHE 20 4.580 1.795 3.774 169 HZ PHE 20 HZ PHE 20 2.545 0.574 3.059 170 H GLY 21 H GLY 21 4.852 6.706 -2.355 171 1HA GLY 21 1HA GLY 21 7.408 7.825 -2.627 172 2HA GLY 21 2HA GLY 21 7.383 6.260 -3.487 173 H ASP 22 H ASP 22 7.721 8.203 -5.097 174 HA ASP 22 HA ASP 22 5.050 9.178 -6.011 175 1HB ASP 22 1HB ASP 22 6.743 10.788 -4.983 176 2HB ASP 22 2HB ASP 22 7.667 10.595 -6.482 177 H SER 23 H SER 23 7.132 6.880 -6.847 178 HA SER 23 HA SER 23 6.059 6.871 -9.618 179 1HB SER 23 1HB SER 23 8.905 6.419 -8.734 180 2HB SER 23 2HB SER 23 8.232 5.226 -9.853 181 HG SER 23 HG SER 23 8.084 8.039 -10.383 182 H VAL 24 H VAL 24 5.415 4.576 -10.255 183 HA VAL 24 HA VAL 24 4.276 3.127 -8.174 184 HB VAL 24 HB VAL 24 3.664 1.633 -9.806 185 1HG1 VAL 24 1HG1 VAL 24 2.656 3.797 -10.044 186 2HG1 VAL 24 2HG1 VAL 24 3.909 4.237 -11.253 187 3HG1 VAL 24 3HG1 VAL 24 2.757 2.926 -11.587 188 1HG2 VAL 24 1HG2 VAL 24 4.558 1.551 -12.121 189 2HG2 VAL 24 2HG2 VAL 24 5.900 2.588 -11.585 190 3HG2 VAL 24 3HG2 VAL 24 5.678 0.965 -10.894 191 H GLU 25 H GLU 25 7.382 2.833 -9.807 192 HA GLU 25 HA GLU 25 7.832 0.279 -8.783 193 1HB GLU 25 1HB GLU 25 9.683 2.401 -9.945 194 2HB GLU 25 2HB GLU 25 10.240 0.757 -9.540 195 1HG GLU 25 1HG GLU 25 8.176 0.027 -11.016 196 2HG GLU 25 2HG GLU 25 8.284 1.661 -11.669 197 H GLU 26 H GLU 26 8.450 3.483 -7.460 198 HA GLU 26 HA GLU 26 10.162 2.778 -5.217 199 1HB GLU 26 1HB GLU 26 8.191 5.078 -5.726 200 2HB GLU 26 2HB GLU 26 9.062 4.818 -4.226 201 1HG GLU 26 1HG GLU 26 11.214 4.885 -5.607 202 2HG GLU 26 2HG GLU 26 10.225 5.501 -6.916 203 H ALA 27 H ALA 27 6.687 3.450 -5.598 204 HA ALA 27 HA ALA 27 5.973 2.924 -2.970 205 1HB ALA 27 1HB ALA 27 4.155 2.579 -5.389 206 2HB ALA 27 2HB ALA 27 3.724 3.138 -3.750 207 3HB ALA 27 3HB ALA 27 4.692 4.169 -4.795 208 H LEU 28 H LEU 28 5.983 0.653 -5.704 209 HA LEU 28 HA LEU 28 5.003 -1.640 -4.408 210 1HB LEU 28 1HB LEU 28 5.902 -1.015 -6.922 211 2HB LEU 28 2HB LEU 28 7.224 -2.022 -6.384 212 HG LEU 28 HG LEU 28 4.261 -2.744 -6.495 213 1HD1 LEU 28 1HD1 LEU 28 6.620 -3.591 -8.209 214 2HD1 LEU 28 2HD1 LEU 28 4.966 -4.228 -8.363 215 3HD1 LEU 28 3HD1 LEU 28 5.302 -2.521 -8.701 216 1HD2 LEU 28 1HD2 LEU 28 4.934 -5.073 -6.107 217 2HD2 LEU 28 2HD2 LEU 28 6.572 -4.508 -5.708 218 3HD2 LEU 28 3HD2 LEU 28 5.181 -4.029 -4.706 219 H SER 29 H SER 29 8.380 -0.410 -4.485 220 HA SER 29 HA SER 29 9.550 -2.704 -3.140 221 1HB SER 29 1HB SER 29 10.487 0.179 -3.495 222 2HB SER 29 2HB SER 29 11.465 -1.154 -2.863 223 HG SER 29 HG SER 29 11.389 -0.529 -5.298 224 H GLU 30 H GLU 30 8.790 0.672 -2.110 225 HA GLU 30 HA GLU 30 9.509 0.378 0.584 226 1HB GLU 30 1HB GLU 30 7.333 2.003 -0.774 227 2HB GLU 30 2HB GLU 30 7.838 2.267 0.895 228 1HG GLU 30 1HG GLU 30 9.201 2.850 -1.642 229 2HG GLU 30 2HG GLU 30 8.907 3.935 -0.305 230 H ALA 31 H ALA 31 6.271 -0.133 -0.980 231 HA ALA 31 HA ALA 31 4.804 -0.673 1.339 232 1HB ALA 31 1HB ALA 31 3.815 -0.435 -0.840 233 2HB ALA 31 2HB ALA 31 4.645 -1.878 -1.450 234 3HB ALA 31 3HB ALA 31 3.381 -2.045 -0.194 235 H ARG 32 H ARG 32 6.504 -3.105 -0.727 236 HA ARG 32 HA ARG 32 6.084 -5.291 1.063 237 1HB ARG 32 1HB ARG 32 6.714 -5.576 -1.253 238 2HB ARG 32 2HB ARG 32 8.205 -4.675 -1.036 239 1HG ARG 32 1HG ARG 32 7.863 -7.067 0.732 240 2HG ARG 32 2HG ARG 32 7.962 -7.397 -0.979 241 1HD ARG 32 1HD ARG 32 10.152 -6.946 -1.146 242 2HD ARG 32 2HD ARG 32 10.030 -5.472 -0.189 243 HE ARG 32 HE ARG 32 10.979 -6.585 1.485 244 1HH1 ARG 32 2HH2 ARG 32 9.113 -9.144 -0.248 245 2HH1 ARG 32 1HH2 ARG 32 9.548 -10.345 0.924 246 1HH2 ARG 32 2HH1 ARG 32 11.445 -8.110 2.910 247 2HH2 ARG 32 1HH1 ARG 32 10.852 -9.757 2.819 248 H GLU 33 H GLU 33 8.618 -2.734 1.205 249 HA GLU 33 HA GLU 33 10.037 -4.130 3.215 250 1HB GLU 33 1HB GLU 33 11.411 -2.514 2.279 251 2HB GLU 33 2HB GLU 33 10.065 -1.492 1.818 252 1HG GLU 33 1HG GLU 33 9.815 -0.645 4.044 253 2HG GLU 33 2HG GLU 33 11.196 -1.606 4.611 254 H HIS 34 H HIS 34 7.230 -1.903 3.235 255 HA HIS 34 HA HIS 34 7.555 -1.233 6.061 256 1HB HIS 34 1HB HIS 34 5.620 -0.483 3.841 257 2HB HIS 34 2HB HIS 34 5.300 -0.092 5.517 258 HD1 HIS 34 1HD HIS 34 8.116 0.615 2.962 259 HD2 HIS 34 2HD HIS 34 6.103 2.267 6.248 260 HE1 HIS 34 1HE HIS 34 9.028 2.989 3.234 261 H LEU 35 H LEU 35 5.787 -3.407 3.962 262 HA LEU 35 HA LEU 35 4.037 -4.569 5.938 263 1HB LEU 35 1HB LEU 35 5.119 -5.357 3.191 264 2HB LEU 35 2HB LEU 35 4.326 -6.538 4.204 265 HG LEU 35 HG LEU 35 2.499 -4.624 4.453 266 1HD1 LEU 35 1HD1 LEU 35 3.530 -4.062 1.691 267 2HD1 LEU 35 2HD1 LEU 35 1.971 -3.555 2.368 268 3HD1 LEU 35 3HD1 LEU 35 3.437 -2.953 3.104 269 1HD2 LEU 35 1HD2 LEU 35 1.246 -5.776 2.589 270 2HD2 LEU 35 2HD2 LEU 35 2.795 -6.459 2.022 271 3HD2 LEU 35 3HD2 LEU 35 2.107 -6.942 3.601 272 H LYS 36 H LYS 36 7.455 -5.287 4.902 273 HA LYS 36 HA LYS 36 7.705 -7.663 6.417 274 1HB LYS 36 1HB LYS 36 9.087 -7.022 4.488 275 2HB LYS 36 2HB LYS 36 9.777 -5.682 5.380 276 1HG LYS 36 1HG LYS 36 9.848 -8.505 6.373 277 2HG LYS 36 2HG LYS 36 11.042 -7.964 5.200 278 1HD LYS 36 1HD LYS 36 10.753 -6.929 8.057 279 2HD LYS 36 2HD LYS 36 12.055 -7.901 7.382 280 1HE LYS 36 1HE LYS 36 12.664 -6.065 5.842 281 2HE LYS 36 2HE LYS 36 11.365 -5.059 6.500 282 1HZ LYS 36 1HZ LYS 36 12.467 -5.002 8.592 283 2HZ LYS 36 2HZ LYS 36 13.641 -6.060 8.097 284 3HZ LYS 36 3HZ LYS 36 13.517 -4.562 7.442 285 H ASN 37 H ASN 37 8.649 -4.279 7.001 286 HA ASN 37 HA ASN 37 9.489 -4.540 9.704 287 1HB ASN 37 1HB ASN 37 8.186 -2.177 8.280 288 2HB ASN 37 2HB ASN 37 9.029 -2.097 9.831 289 1HD2 ASN 37 1HD2 ASN 37 9.703 -0.602 7.303 290 2HD2 ASN 37 2HD2 ASN 37 11.349 -1.070 7.025 291 H GLY 38 H GLY 38 6.304 -3.738 8.299 292 1HA GLY 38 1HA GLY 38 4.244 -4.519 9.178 293 2HA GLY 38 2HA GLY 38 4.885 -4.386 10.825 294 H THR 39 H THR 39 5.886 -1.753 8.926 295 HA THR 39 HA THR 39 3.924 0.039 10.254 296 HB THR 39 HB THR 39 6.105 0.732 10.669 297 HG1 THR 39 1HG THR 39 5.007 2.449 10.524 298 1HG2 THR 39 1HG2 THR 39 7.479 1.614 8.625 299 2HG2 THR 39 2HG2 THR 39 7.564 -0.098 9.109 300 3HG2 THR 39 3HG2 THR 39 6.558 0.396 7.726 301 H CYS 40 H CYS 40 2.640 -1.497 8.580 302 HA CYS 40 HA CYS 40 2.018 0.333 6.373 303 1HB CYS 40 1HB CYS 40 3.368 -1.341 5.271 304 2HB CYS 40 2HB CYS 40 2.488 -2.659 6.080 305 HG CYS 40 HG CYS 40 1.008 -0.284 4.318 306 H GLY 41 H GLY 41 -0.206 0.481 6.097 307 1HA GLY 41 1HA GLY 41 -1.888 -1.440 7.519 308 2HA GLY 41 2HA GLY 41 -2.243 0.255 7.706 309 H LEU 42 H LEU 42 -4.311 -0.795 6.671 310 HA LEU 42 HA LEU 42 -4.136 -0.963 3.684 311 1HB LEU 42 1HB LEU 42 -4.352 -3.182 4.752 312 2HB LEU 42 2HB LEU 42 -5.767 -2.616 5.629 313 HG LEU 42 HG LEU 42 -6.873 -2.202 3.326 314 1HD1 LEU 42 1HD1 LEU 42 -6.010 -3.538 1.437 315 2HD1 LEU 42 2HD1 LEU 42 -4.848 -2.298 1.912 316 3HD1 LEU 42 3HD1 LEU 42 -4.577 -3.987 2.391 317 1HD2 LEU 42 1HD2 LEU 42 -7.600 -4.529 3.172 318 2HD2 LEU 42 2HD2 LEU 42 -6.208 -5.069 4.139 319 3HD2 LEU 42 3HD2 LEU 42 -7.433 -4.014 4.849 320 H VAL 43 H VAL 43 -5.186 0.647 2.775 321 HA VAL 43 HA VAL 43 -7.604 1.859 3.909 322 HB VAL 43 HB VAL 43 -5.767 2.523 1.586 323 1HG1 VAL 43 1HG1 VAL 43 -7.190 4.527 1.186 324 2HG1 VAL 43 2HG1 VAL 43 -8.004 3.018 0.760 325 3HG1 VAL 43 3HG1 VAL 43 -8.419 3.848 2.277 326 1HG2 VAL 43 1HG2 VAL 43 -5.414 4.611 2.832 327 2HG2 VAL 43 2HG2 VAL 43 -6.591 4.105 4.066 328 3HG2 VAL 43 3HG2 VAL 43 -5.066 3.233 3.879 329 H GLU 44 H GLU 44 -9.506 1.061 3.465 330 HA GLU 44 HA GLU 44 -10.040 -0.919 1.411 331 1HB GLU 44 1HB GLU 44 -11.824 1.049 2.947 332 2HB GLU 44 2HB GLU 44 -12.440 -0.168 1.822 333 1HG GLU 44 1HG GLU 44 -11.474 -1.962 3.207 334 2HG GLU 44 2HG GLU 44 -10.898 -0.771 4.385 335 H LEU 45 H LEU 45 -10.288 -0.640 -0.635 336 HA LEU 45 HA LEU 45 -9.900 1.837 -1.990 337 1HB LEU 45 1HB LEU 45 -10.675 -0.966 -2.714 338 2HB LEU 45 2HB LEU 45 -11.234 0.264 -3.850 339 HG LEU 45 HG LEU 45 -8.390 0.178 -2.848 340 1HD1 LEU 45 1HD1 LEU 45 -9.489 -1.149 -5.369 341 2HD1 LEU 45 2HD1 LEU 45 -7.765 -1.003 -4.934 342 3HD1 LEU 45 3HD1 LEU 45 -8.844 -1.986 -3.935 343 1HD2 LEU 45 1HD2 LEU 45 -9.741 1.395 -5.337 344 2HD2 LEU 45 2HD2 LEU 45 -9.111 2.309 -3.948 345 3HD2 LEU 45 3HD2 LEU 45 -8.008 1.453 -5.006 346 H GLU 46 H GLU 46 -11.290 3.402 -2.701 347 HA GLU 46 HA GLU 46 -14.146 2.826 -2.742 348 1HB GLU 46 1HB GLU 46 -13.098 5.353 -1.439 349 2HB GLU 46 2HB GLU 46 -14.750 4.868 -1.626 350 1HG GLU 46 1HG GLU 46 -14.152 2.825 -0.124 351 2HG GLU 46 2HG GLU 46 -12.700 3.726 0.272 352 H LYS 47 H LYS 47 -15.243 4.650 -3.880 353 HA LYS 47 HA LYS 47 -13.892 5.135 -6.373 354 1HB LYS 47 1HB LYS 47 -16.391 4.708 -5.825 355 2HB LYS 47 2HB LYS 47 -16.497 6.423 -5.419 356 1HG LYS 47 1HG LYS 47 -16.103 7.092 -7.624 357 2HG LYS 47 2HG LYS 47 -15.262 5.601 -8.042 358 1HD LYS 47 1HD LYS 47 -17.314 5.410 -9.183 359 2HD LYS 47 2HD LYS 47 -17.478 4.365 -7.774 360 1HE LYS 47 1HE LYS 47 -19.507 5.584 -8.012 361 2HE LYS 47 2HE LYS 47 -18.674 6.196 -6.581 362 1HZ LYS 47 1HZ LYS 47 -19.660 7.834 -8.253 363 2HZ LYS 47 2HZ LYS 47 -18.198 8.147 -7.623 364 3HZ LYS 47 3HZ LYS 47 -18.276 7.556 -9.154 365 H GLY 48 H GLY 48 -13.896 6.844 -3.414 366 1HA GLY 48 1HA GLY 48 -12.674 9.232 -4.704 367 2HA GLY 48 2HA GLY 48 -13.726 9.299 -3.279 368 H VAL 49 H VAL 49 -11.099 6.832 -3.832 369 HA VAL 49 HA VAL 49 -9.752 7.814 -1.356 370 HB VAL 49 HB VAL 49 -10.186 5.210 -2.738 371 1HG1 VAL 49 1HG1 VAL 49 -8.356 4.082 -1.488 372 2HG1 VAL 49 2HG1 VAL 49 -7.788 5.110 -2.798 373 3HG1 VAL 49 3HG1 VAL 49 -7.672 5.677 -1.107 374 1HG2 VAL 49 1HG2 VAL 49 -11.296 6.092 -0.543 375 2HG2 VAL 49 2HG2 VAL 49 -10.595 4.456 -0.475 376 3HG2 VAL 49 3HG2 VAL 49 -9.730 5.831 0.225 377 H LEU 50 H LEU 50 -9.286 6.774 -4.712 378 HA LEU 50 HA LEU 50 -6.715 7.426 -5.298 379 1HB LEU 50 1HB LEU 50 -9.350 7.564 -6.844 380 2HB LEU 50 2HB LEU 50 -7.852 8.177 -7.560 381 HG LEU 50 HG LEU 50 -6.836 6.010 -6.854 382 1HD1 LEU 50 1HD1 LEU 50 -8.242 5.004 -5.349 383 2HD1 LEU 50 2HD1 LEU 50 -9.619 5.051 -6.469 384 3HD1 LEU 50 3HD1 LEU 50 -8.180 4.017 -6.795 385 1HD2 LEU 50 1HD2 LEU 50 -7.601 4.842 -8.932 386 2HD2 LEU 50 2HD2 LEU 50 -9.053 5.864 -8.954 387 3HD2 LEU 50 3HD2 LEU 50 -7.467 6.575 -9.241 388 HA PRO 51 HA PRO 51 -7.409 12.018 -5.918 389 1HB PRO 51 1HB PRO 51 -9.749 13.262 -5.800 390 2HB PRO 51 2HB PRO 51 -9.485 12.067 -7.096 391 1HG PRO 51 1HG PRO 51 -10.894 11.607 -4.437 392 2HG PRO 51 2HG PRO 51 -11.496 11.221 -6.090 393 1HD PRO 51 1HD PRO 51 -10.105 9.423 -4.487 394 2HD PRO 51 2HD PRO 51 -10.093 9.339 -6.228 395 H GLN 52 H GLN 52 -6.857 10.765 -3.554 396 HA GLN 52 HA GLN 52 -6.841 12.999 -1.688 397 1HB GLN 52 1HB GLN 52 -7.549 10.213 -0.652 398 2HB GLN 52 2HB GLN 52 -7.230 11.658 0.310 399 1HG GLN 52 1HG GLN 52 -9.222 12.762 -0.783 400 2HG GLN 52 2HG GLN 52 -9.564 11.213 -1.587 401 1HE2 GLN 52 1HE2 GLN 52 -10.428 9.506 -0.399 402 2HE2 GLN 52 2HE2 GLN 52 -10.981 9.667 1.257 403 H LEU 53 H LEU 53 -5.775 9.691 -2.712 404 HA LEU 53 HA LEU 53 -3.217 9.796 -1.480 405 1HB LEU 53 1HB LEU 53 -4.638 8.306 -3.734 406 2HB LEU 53 2HB LEU 53 -2.983 7.932 -3.300 407 HG LEU 53 HG LEU 53 -3.452 6.935 -1.436 408 1HD1 LEU 53 1HD1 LEU 53 -4.756 8.713 -0.255 409 2HD1 LEU 53 2HD1 LEU 53 -6.203 7.865 -0.821 410 3HD1 LEU 53 3HD1 LEU 53 -4.963 7.029 0.183 411 1HD2 LEU 53 1HD2 LEU 53 -5.473 5.461 -1.741 412 2HD2 LEU 53 2HD2 LEU 53 -6.003 6.570 -3.018 413 3HD2 LEU 53 3HD2 LEU 53 -4.466 5.654 -3.191 414 H GLU 54 H GLU 54 -1.321 9.410 -2.934 415 HA GLU 54 HA GLU 54 -0.708 11.717 -4.569 416 1HB GLU 54 1HB GLU 54 0.759 9.138 -3.934 417 2HB GLU 54 2HB GLU 54 1.474 10.468 -4.822 418 1HG GLU 54 1HG GLU 54 0.480 10.589 -1.945 419 2HG GLU 54 2HG GLU 54 2.131 10.385 -2.486 420 H GLN 55 H GLN 55 0.102 8.541 -5.691 421 HA GLN 55 HA GLN 55 -1.645 8.639 -8.003 422 1HB GLN 55 1HB GLN 55 1.119 9.785 -8.004 423 2HB GLN 55 2HB GLN 55 0.701 8.629 -9.323 424 1HG GLN 55 1HG GLN 55 -1.464 10.436 -9.250 425 2HG GLN 55 2HG GLN 55 -0.092 11.443 -8.816 426 1HE2 GLN 55 1HE2 GLN 55 -0.864 8.803 -11.138 427 2HE2 GLN 55 2HE2 GLN 55 -0.255 9.593 -12.558 428 HA PRO 56 HA PRO 56 0.987 4.781 -8.302 429 1HB PRO 56 1HB PRO 56 3.264 4.307 -6.952 430 2HB PRO 56 2HB PRO 56 3.183 5.269 -8.468 431 1HG PRO 56 1HG PRO 56 3.328 6.268 -5.659 432 2HG PRO 56 2HG PRO 56 4.253 6.816 -7.071 433 1HD PRO 56 1HD PRO 56 2.020 8.096 -6.198 434 2HD PRO 56 2HD PRO 56 2.458 8.014 -7.949 435 H TYR 57 H TYR 57 -0.927 4.343 -7.332 436 HA TYR 57 HA TYR 57 -1.250 3.835 -4.507 437 1HB TYR 57 1HB TYR 57 -3.010 2.696 -6.712 438 2HB TYR 57 2HB TYR 57 -3.446 3.047 -5.067 439 HD1 TYR 57 1HD TYR 57 -4.407 3.961 -8.028 440 HD2 TYR 57 2HD TYR 57 -2.383 5.881 -4.735 441 HE1 TYR 57 1HE TYR 57 -5.256 6.138 -8.783 442 HE2 TYR 57 2HE TYR 57 -3.154 8.105 -5.555 443 HH TYR 57 HH TYR 57 -4.182 8.759 -8.472 444 H VAL 58 H VAL 58 -0.458 2.167 -3.462 445 HA VAL 58 HA VAL 58 0.466 -0.217 -4.858 446 HB VAL 58 HB VAL 58 0.492 0.444 -1.887 447 1HG1 VAL 58 1HG1 VAL 58 1.109 -1.967 -3.228 448 2HG1 VAL 58 2HG1 VAL 58 2.684 -1.211 -2.913 449 3HG1 VAL 58 3HG1 VAL 58 1.583 -1.502 -1.579 450 1HG2 VAL 58 1HG2 VAL 58 2.927 1.057 -2.370 451 2HG2 VAL 58 2HG2 VAL 58 2.460 1.147 -4.073 452 3HG2 VAL 58 3HG2 VAL 58 1.694 2.218 -2.892 453 H PHE 59 H PHE 59 -1.247 -1.516 -5.501 454 HA PHE 59 HA PHE 59 -3.703 -1.792 -3.786 455 1HB PHE 59 1HB PHE 59 -2.793 -2.667 -6.555 456 2HB PHE 59 2HB PHE 59 -4.320 -3.165 -5.881 457 HD1 PHE 59 1HD PHE 59 -3.460 -1.646 -8.508 458 HD2 PHE 59 2HD PHE 59 -5.095 -0.450 -4.736 459 HE1 PHE 59 1HE PHE 59 -4.657 0.255 -9.613 460 HE2 PHE 59 2HE PHE 59 -6.044 1.598 -5.755 461 HZ PHE 59 HZ PHE 59 -6.071 1.796 -8.289 462 H ILE 60 H ILE 60 -4.696 -3.729 -3.638 463 HA ILE 60 HA ILE 60 -2.897 -6.011 -3.759 464 HB ILE 60 HB ILE 60 -4.075 -7.079 -1.971 465 1HG1 ILE 60 1HG1 ILE 60 -5.316 -4.413 -1.260 466 2HG1 ILE 60 2HG1 ILE 60 -6.153 -5.823 -1.930 467 1HG2 ILE 60 1HG2 ILE 60 -2.975 -4.557 -0.901 468 2HG2 ILE 60 2HG2 ILE 60 -2.788 -6.186 -0.206 469 3HG2 ILE 60 3HG2 ILE 60 -1.924 -5.763 -1.704 470 1HD1 ILE 60 1HD1 ILE 60 -5.709 -7.130 0.039 471 2HD1 ILE 60 2HD1 ILE 60 -4.800 -5.780 0.772 472 3HD1 ILE 60 3HD1 ILE 60 -6.534 -5.620 0.464 473 H LYS 61 H LYS 61 -3.707 -7.679 -4.991 474 HA LYS 61 HA LYS 61 -6.657 -7.739 -5.475 475 1HB LYS 61 1HB LYS 61 -6.130 -8.526 -7.827 476 2HB LYS 61 2HB LYS 61 -5.876 -6.815 -7.469 477 1HG LYS 61 1HG LYS 61 -3.782 -6.888 -8.047 478 2HG LYS 61 2HG LYS 61 -3.411 -8.384 -7.178 479 1HD LYS 61 1HD LYS 61 -2.922 -8.536 -9.591 480 2HD LYS 61 2HD LYS 61 -4.182 -9.693 -9.102 481 1HE LYS 61 1HE LYS 61 -5.855 -7.944 -9.955 482 2HE LYS 61 2HE LYS 61 -4.436 -7.047 -10.541 483 1HZ LYS 61 1HZ LYS 61 -5.314 -9.745 -11.421 484 2HZ LYS 61 2HZ LYS 61 -5.385 -8.365 -12.284 485 3HZ LYS 61 3HZ LYS 61 -3.922 -9.063 -11.914 486 H ARG 62 H ARG 62 -7.427 -9.917 -5.915 487 HA ARG 62 HA ARG 62 -6.030 -12.005 -4.477 488 1HB ARG 62 1HB ARG 62 -7.965 -13.424 -5.181 489 2HB ARG 62 2HB ARG 62 -8.367 -12.011 -4.185 490 1HG ARG 62 1HG ARG 62 -9.257 -10.820 -5.910 491 2HG ARG 62 2HG ARG 62 -8.425 -11.761 -7.139 492 1HD ARG 62 1HD ARG 62 -10.237 -13.472 -5.630 493 2HD ARG 62 2HD ARG 62 -11.115 -12.072 -6.206 494 HE ARG 62 HE ARG 62 -9.751 -14.167 -7.792 495 1HH1 ARG 62 2HH2 ARG 62 -11.845 -11.308 -7.848 496 2HH1 ARG 62 1HH2 ARG 62 -12.292 -11.485 -9.518 497 1HH2 ARG 62 2HH1 ARG 62 -10.378 -14.427 -10.025 498 2HH2 ARG 62 1HH1 ARG 62 -11.476 -13.330 -10.747 499 H SER 63 H SER 63 -4.203 -11.559 -5.925 500 HA SER 63 HA SER 63 -2.583 -12.224 -7.240 501 1HB SER 63 1HB SER 63 -2.284 -14.571 -7.618 502 2HB SER 63 2HB SER 63 -2.937 -14.313 -5.998 503 HG SER 63 HG SER 63 -5.072 -14.599 -7.256 504 H ASP 64 H ASP 64 -2.034 -13.250 -9.528 505 HA ASP 64 HA ASP 64 -3.931 -11.985 -11.408 506 1HB ASP 64 1HB ASP 64 -1.019 -12.685 -11.458 507 2HB ASP 64 2HB ASP 64 -1.900 -12.785 -12.976 508 H ALA 65 H ALA 65 -3.403 -15.095 -10.115 509 HA ALA 65 HA ALA 65 -4.778 -16.325 -12.471 510 1HB ALA 65 1HB ALA 65 -2.429 -17.462 -10.950 511 2HB ALA 65 2HB ALA 65 -3.323 -18.242 -12.259 512 3HB ALA 65 3HB ALA 65 -2.375 -16.775 -12.597 513 H LEU 66 H LEU 66 -4.628 -16.261 -9.002 514 HA LEU 66 HA LEU 66 -5.591 -17.380 -7.395 515 1HB LEU 66 1HB LEU 66 -8.110 -17.610 -7.610 516 2HB LEU 66 2HB LEU 66 -7.361 -16.037 -7.577 517 HG LEU 66 HG LEU 66 -7.922 -17.234 -10.283 518 1HD1 LEU 66 1HD1 LEU 66 -10.230 -16.395 -10.246 519 2HD1 LEU 66 2HD1 LEU 66 -9.966 -17.715 -9.122 520 3HD1 LEU 66 3HD1 LEU 66 -10.083 -16.071 -8.482 521 1HD2 LEU 66 1HD2 LEU 66 -6.785 -15.023 -10.053 522 2HD2 LEU 66 2HD2 LEU 66 -8.339 -14.887 -10.875 523 3HD2 LEU 66 3HD2 LEU 66 -8.158 -14.397 -9.159 524 H SER 67 H SER 67 -7.669 -19.137 -9.698 525 HA SER 67 HA SER 67 -8.155 -21.274 -9.949 526 1HB SER 67 1HB SER 67 -5.814 -20.966 -10.923 527 2HB SER 67 2HB SER 67 -5.200 -21.809 -9.493 528 HG SER 67 HG SER 67 -7.054 -22.772 -11.436 529 H THR 68 H THR 68 -7.618 -23.613 -9.129 530 HA THR 68 HA THR 68 -8.454 -25.139 -7.811 531 HB THR 68 HB THR 68 -6.076 -25.124 -7.352 532 HG1 THR 68 1HG THR 68 -6.227 -26.211 -5.268 533 1HG2 THR 68 1HG2 THR 68 -6.783 -23.434 -4.936 534 2HG2 THR 68 2HG2 THR 68 -5.299 -24.386 -5.054 535 3HG2 THR 68 3HG2 THR 68 -5.602 -23.102 -6.224 536 H ASN 69 H ASN 69 -9.028 -25.736 -5.395 537 HA ASN 69 HA ASN 69 -11.223 -23.962 -4.461 538 1HB ASN 69 1HB ASN 69 -10.380 -26.795 -3.729 539 2HB ASN 69 2HB ASN 69 -11.453 -25.840 -2.700 540 1HD2 ASN 69 1HD2 ASN 69 -12.462 -28.236 -3.771 541 2HD2 ASN 69 2HD2 ASN 69 -13.689 -27.785 -4.932 542 H HIS 70 H HIS 70 -9.325 -22.440 -4.335 543 HA HIS 70 HA HIS 70 -7.193 -22.742 -2.562 544 1HB HIS 70 1HB HIS 70 -8.231 -20.726 -4.308 545 2HB HIS 70 2HB HIS 70 -7.998 -19.958 -2.755 546 HD1 HIS 70 1HD HIS 70 -6.074 -20.903 -5.780 547 HD2 HIS 70 2HD HIS 70 -5.401 -20.162 -1.668 548 HE1 HIS 70 1HE HIS 70 -3.578 -20.468 -5.510 549 H GLY 71 H GLY 71 -6.726 -21.654 -0.545 550 1HA GLY 71 1HA GLY 71 -8.754 -22.133 1.428 551 2HA GLY 71 2HA GLY 71 -7.093 -21.594 1.697 552 H HIS 72 H HIS 72 -7.368 -19.917 3.090 553 HA HIS 72 HA HIS 72 -9.339 -17.802 2.753 554 1HB HIS 72 1HB HIS 72 -6.719 -18.017 4.259 555 2HB HIS 72 2HB HIS 72 -7.509 -16.481 4.055 556 HD1 HIS 72 1HD HIS 72 -9.503 -19.744 4.986 557 HD2 HIS 72 2HD HIS 72 -8.367 -15.920 6.369 558 HE1 HIS 72 1HE HIS 72 -10.922 -19.267 7.026 559 H LYS 73 H LYS 73 -9.149 -15.862 1.872 560 HA LYS 73 HA LYS 73 -8.154 -15.760 -0.648 561 1HB LYS 73 1HB LYS 73 -9.170 -13.610 1.189 562 2HB LYS 73 2HB LYS 73 -8.488 -13.177 -0.375 563 1HG LYS 73 1HG LYS 73 -10.451 -13.578 -1.323 564 2HG LYS 73 2HG LYS 73 -10.204 -15.292 -1.028 565 1HD LYS 73 1HD LYS 73 -12.377 -14.664 -0.294 566 2HD LYS 73 2HD LYS 73 -11.415 -15.084 1.140 567 1HE LYS 73 1HE LYS 73 -11.034 -12.659 1.576 568 2HE LYS 73 2HE LYS 73 -11.920 -12.246 0.103 569 1HZ LYS 73 1HZ LYS 73 -13.121 -13.611 2.443 570 2HZ LYS 73 2HZ LYS 73 -13.255 -12.009 2.088 571 3HZ LYS 73 3HZ LYS 73 -13.910 -13.146 1.095 572 H VAL 74 H VAL 74 -6.230 -16.210 -1.085 573 HA VAL 74 HA VAL 74 -3.806 -14.775 -0.366 574 HB VAL 74 HB VAL 74 -4.665 -16.527 -2.714 575 1HG1 VAL 74 1HG1 VAL 74 -2.868 -15.095 -3.484 576 2HG1 VAL 74 2HG1 VAL 74 -1.907 -15.440 -2.034 577 3HG1 VAL 74 3HG1 VAL 74 -2.259 -16.717 -3.235 578 1HG2 VAL 74 1HG2 VAL 74 -2.915 -17.187 -0.301 579 2HG2 VAL 74 2HG2 VAL 74 -4.579 -17.742 -0.530 580 3HG2 VAL 74 3HG2 VAL 74 -3.308 -18.272 -1.634 581 H VAL 75 H VAL 75 -3.051 -12.934 -1.254 582 HA VAL 75 HA VAL 75 -4.140 -11.883 -3.690 583 HB VAL 75 HB VAL 75 -4.570 -9.599 -2.755 584 1HG1 VAL 75 1HG1 VAL 75 -6.254 -11.683 -1.285 585 2HG1 VAL 75 2HG1 VAL 75 -6.623 -9.971 -1.402 586 3HG1 VAL 75 3HG1 VAL 75 -6.628 -10.952 -2.862 587 1HG2 VAL 75 1HG2 VAL 75 -4.664 -9.230 -0.359 588 2HG2 VAL 75 2HG2 VAL 75 -4.107 -10.908 -0.113 589 3HG2 VAL 75 3HG2 VAL 75 -3.038 -9.698 -0.878 590 H GLU 76 H GLU 76 -2.700 -9.663 -4.042 591 HA GLU 76 HA GLU 76 0.053 -10.191 -3.125 592 1HB GLU 76 1HB GLU 76 -0.867 -10.215 -6.038 593 2HB GLU 76 2HB GLU 76 0.807 -9.983 -5.507 594 1HG GLU 76 1HG GLU 76 0.731 -12.217 -4.381 595 2HG GLU 76 2HG GLU 76 -0.889 -12.469 -5.061 596 H LEU 77 H LEU 77 1.453 -8.333 -3.692 597 HA LEU 77 HA LEU 77 0.149 -5.736 -3.677 598 1HB LEU 77 1HB LEU 77 3.032 -6.518 -4.300 599 2HB LEU 77 2HB LEU 77 2.432 -4.873 -4.133 600 HG LEU 77 HG LEU 77 2.581 -6.958 -1.939 601 1HD1 LEU 77 1HD1 LEU 77 4.738 -5.911 -2.627 602 2HD1 LEU 77 2HD1 LEU 77 4.055 -4.307 -2.313 603 3HD1 LEU 77 3HD1 LEU 77 4.271 -5.460 -0.977 604 1HD2 LEU 77 1HD2 LEU 77 0.631 -5.590 -1.484 605 2HD2 LEU 77 2HD2 LEU 77 1.931 -5.096 -0.393 606 3HD2 LEU 77 3HD2 LEU 77 1.544 -4.099 -1.811 607 H VAL 78 H VAL 78 0.261 -4.242 -5.359 608 HA VAL 78 HA VAL 78 1.077 -4.878 -8.066 609 HB VAL 78 HB VAL 78 -1.026 -5.461 -8.725 610 1HG1 VAL 78 1HG1 VAL 78 -2.051 -4.601 -6.086 611 2HG1 VAL 78 2HG1 VAL 78 -3.158 -4.976 -7.395 612 3HG1 VAL 78 3HG1 VAL 78 -1.991 -6.192 -6.800 613 1HG2 VAL 78 1HG2 VAL 78 -2.646 -3.829 -9.255 614 2HG2 VAL 78 2HG2 VAL 78 -1.629 -2.599 -8.438 615 3HG2 VAL 78 3HG2 VAL 78 -1.013 -3.496 -9.833 616 H ALA 79 H ALA 79 1.156 -2.698 -9.226 617 HA ALA 79 HA ALA 79 0.880 -0.366 -7.426 618 1HB ALA 79 1HB ALA 79 3.259 -0.535 -9.328 619 2HB ALA 79 2HB ALA 79 3.047 0.489 -7.870 620 3HB ALA 79 3HB ALA 79 3.406 -1.224 -7.725 621 H GLU 80 H GLU 80 0.040 1.408 -8.447 622 HA GLU 80 HA GLU 80 -0.189 1.428 -11.410 623 1HB GLU 80 1HB GLU 80 -2.216 0.384 -9.710 624 2HB GLU 80 2HB GLU 80 -2.759 1.989 -10.162 625 1HG GLU 80 1HG GLU 80 -1.996 -0.329 -11.947 626 2HG GLU 80 2HG GLU 80 -3.575 0.464 -11.819 627 H MET 81 H MET 81 0.066 3.559 -12.145 628 HA MET 81 HA MET 81 0.346 5.600 -10.068 629 1HB MET 81 1HB MET 81 1.257 7.012 -11.635 630 2HB MET 81 2HB MET 81 1.941 5.434 -11.986 631 1HG MET 81 1HG MET 81 0.332 5.178 -13.874 632 2HG MET 81 2HG MET 81 -0.297 6.790 -13.539 633 1HE MET 81 1HE MET 81 2.876 9.072 -14.352 634 2HE MET 81 2HE MET 81 1.200 9.070 -13.772 635 3HE MET 81 3HE MET 81 2.505 8.371 -12.780 636 H ASP 82 H ASP 82 -2.200 4.667 -12.319 637 HA ASP 82 HA ASP 82 -3.740 7.030 -11.335 638 1HB ASP 82 1HB ASP 82 -3.274 6.272 -14.193 639 2HB ASP 82 2HB ASP 82 -4.806 7.018 -13.723 640 H GLY 83 H GLY 83 -3.467 3.903 -11.139 641 1HA GLY 83 1HA GLY 83 -4.806 2.134 -10.772 642 2HA GLY 83 2HA GLY 83 -6.164 3.248 -10.398 643 H ILE 84 H ILE 84 -4.243 3.054 -13.370 644 HA ILE 84 HA ILE 84 -6.166 3.357 -15.305 645 HB ILE 84 HB ILE 84 -3.536 1.919 -15.117 646 1HG1 ILE 84 1HG1 ILE 84 -4.233 4.300 -16.855 647 2HG1 ILE 84 2HG1 ILE 84 -3.859 4.448 -15.141 648 1HG2 ILE 84 1HG2 ILE 84 -5.005 1.963 -17.737 649 2HG2 ILE 84 2HG2 ILE 84 -3.313 1.487 -17.447 650 3HG2 ILE 84 3HG2 ILE 84 -4.601 0.531 -16.753 651 1HD1 ILE 84 1HD1 ILE 84 -2.015 3.460 -17.309 652 2HD1 ILE 84 2HD1 ILE 84 -1.811 4.866 -16.254 653 3HD1 ILE 84 3HD1 ILE 84 -1.658 3.242 -15.580 654 H GLN 85 H GLN 85 -4.855 0.360 -14.068 655 HA GLN 85 HA GLN 85 -7.282 -1.165 -14.795 656 1HB GLN 85 1HB GLN 85 -4.895 -1.711 -15.811 657 2HB GLN 85 2HB GLN 85 -4.495 -2.258 -14.195 658 1HG GLN 85 1HG GLN 85 -5.013 -4.150 -15.455 659 2HG GLN 85 2HG GLN 85 -6.427 -3.932 -14.424 660 1HE2 GLN 85 1HE2 GLN 85 -5.710 -5.003 -17.462 661 2HE2 GLN 85 2HE2 GLN 85 -7.162 -4.435 -18.255 662 H TYR 86 H TYR 86 -7.645 -2.802 -13.102 663 HA TYR 86 HA TYR 86 -7.771 -3.717 -11.025 664 1HB TYR 86 1HB TYR 86 -5.659 -1.904 -9.950 665 2HB TYR 86 2HB TYR 86 -6.083 -3.483 -9.407 666 HD1 TYR 86 1HD TYR 86 -3.734 -1.618 -11.147 667 HD2 TYR 86 2HD TYR 86 -5.743 -5.410 -11.443 668 HE1 TYR 86 1HE TYR 86 -1.832 -2.520 -12.450 669 HE2 TYR 86 2HE TYR 86 -3.754 -6.393 -12.480 670 HH TYR 86 HH TYR 86 -1.455 -6.027 -12.977 671 H GLY 87 H GLY 87 -7.219 -0.141 -10.566 672 1HA GLY 87 1HA GLY 87 -8.342 0.079 -8.037 673 2HA GLY 87 2HA GLY 87 -8.200 1.412 -9.189 674 H ARG 88 H ARG 88 -10.009 0.069 -11.015 675 HA ARG 88 HA ARG 88 -12.641 0.105 -9.559 676 1HB ARG 88 1HB ARG 88 -11.870 2.063 -11.345 677 2HB ARG 88 2HB ARG 88 -12.717 0.972 -12.402 678 1HG ARG 88 1HG ARG 88 -14.327 2.495 -11.698 679 2HG ARG 88 2HG ARG 88 -14.678 1.091 -10.683 680 1HD ARG 88 1HD ARG 88 -13.031 3.527 -9.855 681 2HD ARG 88 2HD ARG 88 -14.739 3.382 -9.566 682 HE ARG 88 HE ARG 88 -12.563 1.803 -8.292 683 1HH1 ARG 88 2HH2 ARG 88 -16.001 2.698 -8.293 684 2HH1 ARG 88 1HH2 ARG 88 -16.236 2.283 -6.608 685 1HH2 ARG 88 2HH1 ARG 88 -13.064 0.785 -6.234 686 2HH2 ARG 88 1HH1 ARG 88 -14.566 1.122 -5.490 687 H SER 89 H SER 89 -10.875 -2.181 -10.464 688 HA SER 89 HA SER 89 -12.791 -3.697 -12.142 689 1HB SER 89 1HB SER 89 -10.374 -4.749 -10.688 690 2HB SER 89 2HB SER 89 -11.200 -5.414 -12.110 691 HG SER 89 HG SER 89 -10.344 -3.018 -12.835 692 H GLY 90 H GLY 90 -11.652 -3.573 -8.732 693 1HA GLY 90 1HA GLY 90 -12.877 -4.086 -6.832 694 2HA GLY 90 2HA GLY 90 -14.194 -4.717 -7.813 695 H ILE 91 H ILE 91 -11.783 -6.450 -9.189 696 HA ILE 91 HA ILE 91 -11.472 -8.671 -7.379 697 HB ILE 91 HB ILE 91 -10.685 -9.167 -9.493 698 1HG1 ILE 91 1HG1 ILE 91 -8.135 -8.262 -8.216 699 2HG1 ILE 91 2HG1 ILE 91 -9.053 -9.673 -7.703 700 1HG2 ILE 91 1HG2 ILE 91 -9.087 -7.726 -10.842 701 2HG2 ILE 91 2HG2 ILE 91 -10.685 -7.067 -10.628 702 3HG2 ILE 91 3HG2 ILE 91 -9.345 -6.449 -9.652 703 1HD1 ILE 91 1HD1 ILE 91 -7.265 -10.465 -9.042 704 2HD1 ILE 91 2HD1 ILE 91 -8.755 -10.656 -9.991 705 3HD1 ILE 91 3HD1 ILE 91 -7.621 -9.315 -10.334 706 H THR 92 H THR 92 -9.885 -5.492 -7.734 707 HA THR 92 HA THR 92 -7.861 -5.987 -5.874 708 HB THR 92 HB THR 92 -8.988 -3.255 -6.438 709 HG1 THR 92 1HG THR 92 -8.587 -3.365 -8.483 710 1HG2 THR 92 1HG2 THR 92 -6.136 -4.308 -6.471 711 2HG2 THR 92 2HG2 THR 92 -6.631 -2.608 -6.663 712 3HG2 THR 92 3HG2 THR 92 -6.869 -3.438 -5.110 713 H LEU 93 H LEU 93 -7.850 -5.539 -3.619 714 HA LEU 93 HA LEU 93 -10.566 -5.403 -2.472 715 1HB LEU 93 1HB LEU 93 -8.059 -6.312 -1.079 716 2HB LEU 93 2HB LEU 93 -9.714 -6.465 -0.601 717 HG LEU 93 HG LEU 93 -8.990 -8.588 -1.301 718 1HD1 LEU 93 1HD1 LEU 93 -10.729 -7.498 -3.529 719 2HD1 LEU 93 2HD1 LEU 93 -10.520 -9.201 -3.090 720 3HD1 LEU 93 3HD1 LEU 93 -11.276 -8.083 -1.945 721 1HD2 LEU 93 1HD2 LEU 93 -8.093 -7.560 -3.964 722 2HD2 LEU 93 2HD2 LEU 93 -7.037 -8.000 -2.598 723 3HD2 LEU 93 3HD2 LEU 93 -8.069 -9.224 -3.381 724 H GLY 94 H GLY 94 -7.319 -3.927 -1.967 725 1HA GLY 94 1HA GLY 94 -8.468 -1.413 -1.167 726 2HA GLY 94 2HA GLY 94 -7.654 -2.178 0.192 727 H VAL 95 H VAL 95 -6.277 -0.280 -0.013 728 HA VAL 95 HA VAL 95 -3.973 -0.634 -1.814 729 HB VAL 95 HB VAL 95 -5.431 1.973 -1.103 730 1HG1 VAL 95 1HG1 VAL 95 -2.953 2.314 -1.193 731 2HG1 VAL 95 2HG1 VAL 95 -2.961 1.677 -2.842 732 3HG1 VAL 95 3HG1 VAL 95 -3.831 3.174 -2.477 733 1HG2 VAL 95 1HG2 VAL 95 -6.328 2.269 -3.042 734 2HG2 VAL 95 2HG2 VAL 95 -4.992 1.542 -3.907 735 3HG2 VAL 95 3HG2 VAL 95 -6.241 0.506 -3.167 736 H LEU 96 H LEU 96 -2.062 -0.263 -0.827 737 HA LEU 96 HA LEU 96 -2.086 -0.523 2.113 738 1HB LEU 96 1HB LEU 96 0.143 -0.615 0.032 739 2HB LEU 96 2HB LEU 96 0.342 -0.816 1.735 740 HG LEU 96 HG LEU 96 0.517 -2.916 0.901 741 1HD1 LEU 96 1HD1 LEU 96 -2.389 -2.811 1.781 742 2HD1 LEU 96 2HD1 LEU 96 -1.309 -4.223 1.825 743 3HD1 LEU 96 3HD1 LEU 96 -0.989 -2.820 2.869 744 1HD2 LEU 96 1HD2 LEU 96 -0.856 -3.987 -0.681 745 2HD2 LEU 96 2HD2 LEU 96 -2.028 -2.633 -0.698 746 3HD2 LEU 96 3HD2 LEU 96 -0.406 -2.442 -1.353 747 H VAL 97 H VAL 97 -0.967 0.899 3.453 748 HA VAL 97 HA VAL 97 0.281 3.339 2.333 749 HB VAL 97 HB VAL 97 -0.964 4.664 4.092 750 1HG1 VAL 97 1HG1 VAL 97 -2.900 5.039 2.716 751 2HG1 VAL 97 2HG1 VAL 97 -1.519 4.695 1.666 752 3HG1 VAL 97 3HG1 VAL 97 -2.745 3.442 1.971 753 1HG2 VAL 97 1HG2 VAL 97 -1.767 2.662 5.450 754 2HG2 VAL 97 2HG2 VAL 97 -3.047 3.792 5.027 755 3HG2 VAL 97 3HG2 VAL 97 -2.888 2.272 4.131 756 HA PRO 98 HA PRO 98 3.060 2.366 5.689 757 1HB PRO 98 1HB PRO 98 4.109 4.896 6.296 758 2HB PRO 98 2HB PRO 98 4.681 3.802 5.020 759 1HG PRO 98 1HG PRO 98 3.061 6.257 4.736 760 2HG PRO 98 2HG PRO 98 4.111 5.464 3.553 761 1HD PRO 98 1HD PRO 98 1.286 5.352 3.636 762 2HD PRO 98 2HD PRO 98 2.355 4.295 2.675 763 H HIS 99 H HIS 99 2.481 1.938 7.824 764 HA HIS 99 HA HIS 99 0.206 3.412 8.981 765 1HB HIS 99 1HB HIS 99 0.033 1.099 9.265 766 2HB HIS 99 2HB HIS 99 1.702 0.910 9.753 767 HD1 HIS 99 1HD HIS 99 1.623 0.071 12.212 768 HD2 HIS 99 2HD HIS 99 -0.950 3.345 11.397 769 HE1 HIS 99 1HE HIS 99 0.576 0.731 14.394 770 H VAL 100 H VAL 100 1.315 5.468 9.054 771 HA VAL 100 HA VAL 100 3.459 5.850 10.954 772 HB VAL 100 HB VAL 100 3.101 8.254 10.464 773 1HG1 VAL 100 1HG1 VAL 100 3.789 8.168 8.122 774 2HG1 VAL 100 2HG1 VAL 100 4.572 6.869 9.036 775 3HG1 VAL 100 3HG1 VAL 100 3.202 6.500 7.960 776 1HG2 VAL 100 1HG2 VAL 100 0.879 7.300 8.579 777 2HG2 VAL 100 2HG2 VAL 100 0.630 8.173 10.121 778 3HG2 VAL 100 3HG2 VAL 100 1.483 8.966 8.785 779 H GLY 101 H GLY 101 1.459 4.444 12.207 780 1HA GLY 101 1HA GLY 101 1.058 4.252 14.363 781 2HA GLY 101 2HA GLY 101 1.603 5.917 14.583 782 H GLU 102 H GLU 102 -0.938 6.218 12.568 783 HA GLU 102 HA GLU 102 -2.167 7.897 14.297 784 1HB GLU 102 1HB GLU 102 -3.274 6.596 11.793 785 2HB GLU 102 2HB GLU 102 -4.020 8.007 12.567 786 1HG GLU 102 1HG GLU 102 -1.194 7.866 11.449 787 2HG GLU 102 2HG GLU 102 -2.567 8.579 10.643 788 H THR 103 H THR 103 -4.809 5.851 13.116 789 HA THR 103 HA THR 103 -5.411 4.824 15.821 790 HB THR 103 HB THR 103 -7.147 6.937 14.460 791 HG1 THR 103 1HG THR 103 -5.044 7.275 15.972 792 1HG2 THR 103 1HG2 THR 103 -8.358 5.158 15.820 793 2HG2 THR 103 2HG2 THR 103 -7.429 5.687 17.232 794 3HG2 THR 103 3HG2 THR 103 -8.557 6.801 16.415 795 HA PRO 104 HA PRO 104 -6.888 2.258 12.326 796 1HB PRO 104 1HB PRO 104 -6.615 -0.094 13.900 797 2HB PRO 104 2HB PRO 104 -5.607 0.418 12.525 798 1HG PRO 104 1HG PRO 104 -4.882 0.317 15.313 799 2HG PRO 104 2HG PRO 104 -3.895 0.893 13.940 800 1HD PRO 104 1HD PRO 104 -5.295 2.477 15.961 801 2HD PRO 104 2HD PRO 104 -4.133 3.023 14.722 802 H ILE 105 H ILE 105 -8.793 1.212 12.014 803 HA ILE 105 HA ILE 105 -10.802 1.381 14.194 804 HB ILE 105 HB ILE 105 -12.413 1.028 12.238 805 1HG1 ILE 105 1HG1 ILE 105 -10.469 0.323 10.632 806 2HG1 ILE 105 2HG1 ILE 105 -11.870 1.209 10.066 807 1HG2 ILE 105 1HG2 ILE 105 -12.421 3.409 11.643 808 2HG2 ILE 105 2HG2 ILE 105 -12.244 3.133 13.379 809 3HG2 ILE 105 3HG2 ILE 105 -10.832 3.602 12.416 810 1HD1 ILE 105 1HD1 ILE 105 -9.682 2.038 9.143 811 2HD1 ILE 105 2HD1 ILE 105 -10.702 3.246 9.893 812 3HD1 ILE 105 3HD1 ILE 105 -9.284 2.656 10.767 813 H ALA 106 H ALA 106 -9.117 -0.993 12.177 814 HA ALA 106 HA ALA 106 -10.186 -3.274 13.601 815 1HB ALA 106 1HB ALA 106 -12.139 -2.742 12.103 816 2HB ALA 106 2HB ALA 106 -11.052 -2.718 10.696 817 3HB ALA 106 3HB ALA 106 -11.357 -4.230 11.561 818 H TYR 107 H TYR 107 -9.501 -5.361 12.140 819 HA TYR 107 HA TYR 107 -6.807 -4.824 10.958 820 1HB TYR 107 1HB TYR 107 -7.605 -6.812 13.094 821 2HB TYR 107 2HB TYR 107 -6.357 -7.216 11.922 822 HD1 TYR 107 1HD TYR 107 -7.238 -4.819 14.623 823 HD2 TYR 107 2HD TYR 107 -4.225 -6.099 11.822 824 HE1 TYR 107 1HE TYR 107 -5.492 -3.447 15.829 825 HE2 TYR 107 2HE TYR 107 -2.559 -4.651 12.910 826 HH TYR 107 HH TYR 107 -2.136 -3.198 14.673 827 H ARG 108 H ARG 108 -6.423 -5.815 9.122 828 HA ARG 108 HA ARG 108 -8.434 -7.712 8.019 829 1HB ARG 108 1HB ARG 108 -6.976 -5.407 6.844 830 2HB ARG 108 2HB ARG 108 -6.747 -6.872 5.913 831 1HG ARG 108 1HG ARG 108 -9.493 -5.839 6.767 832 2HG ARG 108 2HG ARG 108 -8.774 -5.526 5.193 833 1HD ARG 108 1HD ARG 108 -8.447 -8.038 4.932 834 2HD ARG 108 2HD ARG 108 -9.536 -8.172 6.304 835 HE ARG 108 HE ARG 108 -10.135 -7.578 3.570 836 1HH1 ARG 108 2HH2 ARG 108 -11.407 -6.742 6.806 837 2HH1 ARG 108 1HH2 ARG 108 -12.909 -6.165 6.163 838 1HH2 ARG 108 2HH1 ARG 108 -12.206 -7.253 2.831 839 2HH2 ARG 108 1HH1 ARG 108 -13.354 -6.448 3.844 840 H ASN 109 H ASN 109 -7.334 -9.385 6.533 841 HA ASN 109 HA ASN 109 -4.595 -10.112 7.322 842 1HB ASN 109 1HB ASN 109 -5.821 -11.419 8.881 843 2HB ASN 109 2HB ASN 109 -7.052 -11.813 7.663 844 1HD2 ASN 109 1HD2 ASN 109 -6.739 -13.551 6.311 845 2HD2 ASN 109 2HD2 ASN 109 -5.259 -14.517 6.271 846 H VAL 110 H VAL 110 -3.538 -10.760 5.443 847 HA VAL 110 HA VAL 110 -5.107 -11.755 3.128 848 HB VAL 110 HB VAL 110 -3.572 -10.342 1.741 849 1HG1 VAL 110 1HG1 VAL 110 -5.969 -9.791 2.081 850 2HG1 VAL 110 2HG1 VAL 110 -5.540 -8.807 3.496 851 3HG1 VAL 110 3HG1 VAL 110 -4.993 -8.328 1.887 852 1HG2 VAL 110 1HG2 VAL 110 -1.869 -9.652 3.273 853 2HG2 VAL 110 2HG2 VAL 110 -2.681 -8.246 2.573 854 3HG2 VAL 110 3HG2 VAL 110 -3.063 -8.759 4.218 855 H LEU 111 H LEU 111 -4.100 -13.550 2.167 856 HA LEU 111 HA LEU 111 -1.568 -14.390 3.464 857 1HB LEU 111 1HB LEU 111 -3.552 -15.605 1.487 858 2HB LEU 111 2HB LEU 111 -1.911 -16.201 1.440 859 HG LEU 111 HG LEU 111 -3.480 -17.647 2.596 860 1HD1 LEU 111 1HD1 LEU 111 -1.032 -17.599 3.235 861 2HD1 LEU 111 2HD1 LEU 111 -1.490 -16.603 4.597 862 3HD1 LEU 111 3HD1 LEU 111 -2.122 -18.246 4.464 863 1HD2 LEU 111 1HD2 LEU 111 -4.287 -17.083 4.824 864 2HD2 LEU 111 2HD2 LEU 111 -3.613 -15.450 4.665 865 3HD2 LEU 111 3HD2 LEU 111 -4.950 -15.973 3.594 866 H LEU 112 H LEU 112 0.318 -14.851 2.098 867 HA LEU 112 HA LEU 112 0.574 -13.298 -0.415 868 1HB LEU 112 1HB LEU 112 1.707 -12.616 2.077 869 2HB LEU 112 2HB LEU 112 2.926 -13.643 1.422 870 HG LEU 112 HG LEU 112 2.188 -10.887 0.684 871 1HD1 LEU 112 1HD1 LEU 112 4.749 -12.445 0.219 872 2HD1 LEU 112 2HD1 LEU 112 4.572 -10.695 0.336 873 3HD1 LEU 112 3HD1 LEU 112 4.345 -11.699 1.774 874 1HD2 LEU 112 1HD2 LEU 112 3.034 -10.922 -1.599 875 2HD2 LEU 112 2HD2 LEU 112 3.136 -12.680 -1.581 876 3HD2 LEU 112 3HD2 LEU 112 1.554 -11.843 -1.514 877 H ARG 113 H ARG 113 1.868 -14.407 -2.050 878 HA ARG 113 HA ARG 113 2.199 -17.149 -1.931 879 1HB ARG 113 1HB ARG 113 3.552 -16.984 -3.876 880 2HB ARG 113 2HB ARG 113 2.066 -16.067 -3.977 881 1HG ARG 113 1HG ARG 113 3.995 -14.251 -2.941 882 2HG ARG 113 2HG ARG 113 4.883 -15.171 -4.159 883 1HD ARG 113 1HD ARG 113 2.122 -14.048 -4.621 884 2HD ARG 113 2HD ARG 113 3.542 -13.006 -4.839 885 HE ARG 113 HE ARG 113 2.701 -15.337 -6.461 886 1HH1 ARG 113 2HH2 ARG 113 4.804 -12.439 -6.263 887 2HH1 ARG 113 1HH2 ARG 113 5.679 -12.861 -7.702 888 1HH2 ARG 113 2HH1 ARG 113 3.599 -15.557 -8.547 889 2HH2 ARG 113 1HH1 ARG 113 4.880 -14.498 -9.086 890 H LYS 114 H LYS 114 3.521 -18.402 -0.822 891 HA LYS 114 HA LYS 114 6.350 -17.868 -0.597 892 1HB LYS 114 1HB LYS 114 4.520 -17.964 1.802 893 2HB LYS 114 2HB LYS 114 5.896 -19.039 1.859 894 1HG LYS 114 1HG LYS 114 6.772 -17.177 2.863 895 2HG LYS 114 2HG LYS 114 7.343 -16.993 1.213 896 1HD LYS 114 1HD LYS 114 4.866 -15.620 1.256 897 2HD LYS 114 2HD LYS 114 5.549 -15.281 2.828 898 1HE LYS 114 1HE LYS 114 7.236 -14.967 0.336 899 2HE LYS 114 2HE LYS 114 6.111 -13.703 0.827 900 1HZ LYS 114 1HZ LYS 114 8.380 -13.428 1.691 901 2HZ LYS 114 2HZ LYS 114 7.243 -13.405 2.853 902 3HZ LYS 114 3HZ LYS 114 8.199 -14.760 2.619 903 H ASN 115 H ASN 115 7.295 -20.143 0.171 904 HA ASN 115 HA ASN 115 5.839 -22.112 -1.569 905 1HB ASN 115 1HB ASN 115 8.780 -21.928 -0.829 906 2HB ASN 115 2HB ASN 115 8.040 -23.228 -1.779 907 1HD2 ASN 115 1HD2 ASN 115 10.168 -21.280 -2.610 908 2HD2 ASN 115 2HD2 ASN 115 9.457 -20.462 -3.992 909 H GLY 116 H GLY 116 8.313 -23.266 0.576 910 1HA GLY 116 1HA GLY 116 6.368 -24.071 2.678 911 2HA GLY 116 2HA GLY 116 8.016 -24.704 2.465 Start of MODEL 15 1 1H GLY 1 H GLY 1 -0.099 -23.493 2.234 2 1HA GLY 1 1HA GLY 1 2.696 -22.648 1.750 3 2HA GLY 1 2HA GLY 1 1.493 -22.876 0.466 4 H HIS 2 H HIS 2 2.959 -20.545 0.987 5 HA HIS 2 HA HIS 2 2.855 -18.316 0.931 6 1HB HIS 2 1HB HIS 2 -0.160 -18.502 1.221 7 2HB HIS 2 2HB HIS 2 0.744 -17.118 0.778 8 HD1 HIS 2 1HD HIS 2 1.884 -20.285 -1.128 9 HD2 HIS 2 2HD HIS 2 -0.528 -16.852 -1.461 10 HE1 HIS 2 1HE HIS 2 1.129 -20.171 -3.543 11 H VAL 3 H VAL 3 2.839 -16.579 2.443 12 HA VAL 3 HA VAL 3 2.703 -17.448 5.311 13 HB VAL 3 HB VAL 3 4.016 -15.092 3.921 14 1HG1 VAL 3 1HG1 VAL 3 3.308 -14.167 5.992 15 2HG1 VAL 3 2HG1 VAL 3 3.801 -15.622 6.889 16 3HG1 VAL 3 3HG1 VAL 3 5.020 -14.535 6.162 17 1HG2 VAL 3 1HG2 VAL 3 5.175 -17.390 5.548 18 2HG2 VAL 3 2HG2 VAL 3 5.246 -17.288 3.790 19 3HG2 VAL 3 3HG2 VAL 3 6.119 -16.102 4.776 20 H GLN 4 H GLN 4 1.401 -16.137 6.805 21 HA GLN 4 HA GLN 4 -0.755 -14.636 5.498 22 1HB GLN 4 1HB GLN 4 -0.874 -16.574 7.423 23 2HB GLN 4 2HB GLN 4 -0.710 -15.120 8.438 24 1HG GLN 4 1HG GLN 4 -2.576 -14.117 7.037 25 2HG GLN 4 2HG GLN 4 -2.751 -15.710 6.291 26 1HE2 GLN 4 1HE2 GLN 4 -3.855 -13.732 8.850 27 2HE2 GLN 4 2HE2 GLN 4 -4.600 -15.000 9.803 28 H LEU 5 H LEU 5 -0.984 -12.471 5.799 29 HA LEU 5 HA LEU 5 0.764 -11.125 7.742 30 1HB LEU 5 1HB LEU 5 0.520 -10.424 4.802 31 2HB LEU 5 2HB LEU 5 1.051 -9.262 6.003 32 HG LEU 5 HG LEU 5 2.472 -11.882 5.309 33 1HD1 LEU 5 1HD1 LEU 5 2.723 -10.032 3.652 34 2HD1 LEU 5 2HD1 LEU 5 3.289 -8.968 4.957 35 3HD1 LEU 5 3HD1 LEU 5 4.249 -10.368 4.497 36 1HD2 LEU 5 1HD2 LEU 5 4.317 -11.012 6.793 37 2HD2 LEU 5 2HD2 LEU 5 3.214 -9.738 7.360 38 3HD2 LEU 5 3HD2 LEU 5 2.877 -11.448 7.696 39 H SER 6 H SER 6 -0.080 -9.168 8.526 40 HA SER 6 HA SER 6 -3.021 -8.849 8.156 41 1HB SER 6 1HB SER 6 -2.268 -8.136 10.770 42 2HB SER 6 2HB SER 6 -3.267 -9.469 10.295 43 HG SER 6 HG SER 6 -1.398 -10.813 10.274 44 H LEU 7 H LEU 7 -3.776 -6.747 8.181 45 HA LEU 7 HA LEU 7 -1.774 -4.602 8.666 46 1HB LEU 7 1HB LEU 7 -3.826 -4.684 6.416 47 2HB LEU 7 2HB LEU 7 -2.766 -3.324 6.767 48 HG LEU 7 HG LEU 7 -1.777 -6.094 5.919 49 1HD1 LEU 7 1HD1 LEU 7 -2.099 -3.564 4.263 50 2HD1 LEU 7 2HD1 LEU 7 -1.370 -5.089 3.721 51 3HD1 LEU 7 3HD1 LEU 7 -3.094 -5.033 4.127 52 1HD2 LEU 7 1HD2 LEU 7 0.349 -4.898 5.436 53 2HD2 LEU 7 2HD2 LEU 7 -0.344 -3.388 6.059 54 3HD2 LEU 7 3HD2 LEU 7 -0.059 -4.744 7.154 55 HA PRO 8 HA PRO 8 -5.288 -2.741 10.851 56 1HB PRO 8 1HB PRO 8 -4.289 -0.253 11.223 57 2HB PRO 8 2HB PRO 8 -3.640 -1.616 12.109 58 1HG PRO 8 1HG PRO 8 -2.528 -0.287 9.628 59 2HG PRO 8 2HG PRO 8 -1.650 -0.793 11.109 60 1HD PRO 8 1HD PRO 8 -1.816 -2.334 8.795 61 2HD PRO 8 2HD PRO 8 -1.568 -2.997 10.412 62 H VAL 9 H VAL 9 -7.096 -1.735 9.948 63 HA VAL 9 HA VAL 9 -6.940 -0.641 7.204 64 HB VAL 9 HB VAL 9 -9.449 -1.047 8.900 65 1HG1 VAL 9 1HG1 VAL 9 -10.573 -1.008 6.725 66 2HG1 VAL 9 2HG1 VAL 9 -9.645 0.471 6.964 67 3HG1 VAL 9 3HG1 VAL 9 -9.006 -0.787 5.891 68 1HG2 VAL 9 1HG2 VAL 9 -8.363 -3.278 8.622 69 2HG2 VAL 9 2HG2 VAL 9 -9.805 -3.158 7.628 70 3HG2 VAL 9 3HG2 VAL 9 -8.196 -2.985 6.885 71 H LEU 10 H LEU 10 -6.692 1.511 7.080 72 HA LEU 10 HA LEU 10 -7.164 3.228 9.493 73 1HB LEU 10 1HB LEU 10 -5.283 3.573 7.125 74 2HB LEU 10 2HB LEU 10 -5.436 4.694 8.476 75 HG LEU 10 HG LEU 10 -4.479 1.804 8.797 76 1HD1 LEU 10 1HD1 LEU 10 -2.941 3.051 7.315 77 2HD1 LEU 10 2HD1 LEU 10 -2.765 4.302 8.568 78 3HD1 LEU 10 3HD1 LEU 10 -2.205 2.645 8.872 79 1HD2 LEU 10 1HD2 LEU 10 -5.329 2.918 10.842 80 2HD2 LEU 10 2HD2 LEU 10 -3.607 2.573 10.948 81 3HD2 LEU 10 3HD2 LEU 10 -4.170 4.235 10.621 82 H GLN 11 H GLN 11 -8.189 5.363 8.978 83 HA GLN 11 HA GLN 11 -9.917 5.287 6.609 84 1HB GLN 11 1HB GLN 11 -9.363 7.388 8.736 85 2HB GLN 11 2HB GLN 11 -10.048 7.853 7.198 86 1HG GLN 11 1HG GLN 11 -11.550 5.599 8.048 87 2HG GLN 11 2HG GLN 11 -11.286 6.571 9.487 88 1HE2 GLN 11 1HE2 GLN 11 -13.650 6.524 9.224 89 2HE2 GLN 11 2HE2 GLN 11 -14.453 7.828 8.327 90 H VAL 12 H VAL 12 -9.680 6.631 4.779 91 HA VAL 12 HA VAL 12 -7.016 6.985 3.774 92 HB VAL 12 HB VAL 12 -9.054 6.582 2.446 93 1HG1 VAL 12 1HG1 VAL 12 -10.652 8.096 3.637 94 2HG1 VAL 12 2HG1 VAL 12 -9.792 9.495 2.976 95 3HG1 VAL 12 3HG1 VAL 12 -10.617 8.357 1.894 96 1HG2 VAL 12 1HG2 VAL 12 -7.666 9.161 1.642 97 2HG2 VAL 12 2HG2 VAL 12 -6.946 7.543 1.544 98 3HG2 VAL 12 3HG2 VAL 12 -8.383 7.932 0.578 99 H ARG 13 H ARG 13 -9.071 8.961 5.843 100 HA ARG 13 HA ARG 13 -7.376 11.296 5.410 101 1HB ARG 13 1HB ARG 13 -8.728 12.419 7.108 102 2HB ARG 13 2HB ARG 13 -9.663 11.837 5.753 103 1HG ARG 13 1HG ARG 13 -10.792 10.248 6.959 104 2HG ARG 13 2HG ARG 13 -9.479 10.003 8.099 105 1HD ARG 13 1HD ARG 13 -10.256 12.613 8.697 106 2HD ARG 13 2HD ARG 13 -11.781 11.843 8.245 107 HE ARG 13 HE ARG 13 -11.729 10.611 10.180 108 1HH1 ARG 13 2HH2 ARG 13 -8.444 12.060 9.806 109 2HH1 ARG 13 1HH2 ARG 13 -7.769 10.933 10.965 110 1HH2 ARG 13 2HH1 ARG 13 -10.703 9.391 11.950 111 2HH2 ARG 13 1HH1 ARG 13 -8.981 9.443 12.013 112 H ASP 14 H ASP 14 -7.459 8.580 7.684 113 HA ASP 14 HA ASP 14 -5.963 9.949 9.794 114 1HB ASP 14 1HB ASP 14 -6.733 7.071 9.188 115 2HB ASP 14 2HB ASP 14 -5.424 7.396 10.312 116 H VAL 15 H VAL 15 -5.326 8.005 6.996 117 HA VAL 15 HA VAL 15 -2.503 7.741 7.222 118 HB VAL 15 HB VAL 15 -4.277 7.608 4.731 119 1HG1 VAL 15 1HG1 VAL 15 -1.790 7.738 4.392 120 2HG1 VAL 15 2HG1 VAL 15 -1.606 6.309 5.418 121 3HG1 VAL 15 3HG1 VAL 15 -2.491 6.210 3.860 122 1HG2 VAL 15 1HG2 VAL 15 -4.353 5.188 5.126 123 2HG2 VAL 15 2HG2 VAL 15 -3.313 5.333 6.555 124 3HG2 VAL 15 3HG2 VAL 15 -4.953 5.951 6.586 125 H LEU 16 H LEU 16 -2.306 9.985 8.060 126 HA LEU 16 HA LEU 16 -2.198 12.377 6.798 127 1HB LEU 16 1HB LEU 16 0.140 10.980 8.176 128 2HB LEU 16 2HB LEU 16 -0.011 12.693 7.864 129 HG LEU 16 HG LEU 16 -1.615 11.016 9.811 130 1HD1 LEU 16 1HD1 LEU 16 0.158 13.455 10.137 131 2HD1 LEU 16 2HD1 LEU 16 -0.622 12.556 11.450 132 3HD1 LEU 16 3HD1 LEU 16 0.646 11.776 10.494 133 1HD2 LEU 16 1HD2 LEU 16 -2.108 13.917 9.000 134 2HD2 LEU 16 2HD2 LEU 16 -3.240 12.539 8.882 135 3HD2 LEU 16 3HD2 LEU 16 -2.759 13.139 10.460 136 H VAL 17 H VAL 17 0.089 9.672 6.125 137 HA VAL 17 HA VAL 17 0.959 11.095 3.674 138 HB VAL 17 HB VAL 17 2.613 9.162 5.356 139 1HG1 VAL 17 1HG1 VAL 17 3.256 9.272 2.956 140 2HG1 VAL 17 2HG1 VAL 17 3.419 11.038 3.083 141 3HG1 VAL 17 3HG1 VAL 17 4.497 9.964 3.994 142 1HG2 VAL 17 1HG2 VAL 17 3.933 11.176 6.003 143 2HG2 VAL 17 2HG2 VAL 17 2.666 12.192 5.276 144 3HG2 VAL 17 3HG2 VAL 17 2.309 11.167 6.687 145 H ARG 18 H ARG 18 -0.118 10.146 2.015 146 HA ARG 18 HA ARG 18 -0.924 7.312 2.254 147 1HB ARG 18 1HB ARG 18 -1.856 9.402 0.271 148 2HB ARG 18 2HB ARG 18 -2.616 7.848 0.649 149 1HG ARG 18 1HG ARG 18 -3.406 8.513 2.736 150 2HG ARG 18 2HG ARG 18 -2.296 9.910 2.765 151 1HD ARG 18 1HD ARG 18 -3.457 10.847 0.847 152 2HD ARG 18 2HD ARG 18 -4.694 9.610 0.993 153 HE ARG 18 HE ARG 18 -5.550 10.605 2.885 154 1HH1 ARG 18 2HH2 ARG 18 -2.277 11.941 2.433 155 2HH1 ARG 18 1HH2 ARG 18 -2.382 12.911 3.808 156 1HH2 ARG 18 2HH1 ARG 18 -5.885 12.310 4.254 157 2HH2 ARG 18 1HH1 ARG 18 -4.539 13.117 5.005 158 H GLY 19 H GLY 19 1.838 8.553 1.066 159 1HA GLY 19 1HA GLY 19 1.876 6.709 -1.222 160 2HA GLY 19 2HA GLY 19 2.582 8.327 -1.299 161 H PHE 20 H PHE 20 3.370 5.240 -0.742 162 HA PHE 20 HA PHE 20 5.341 5.494 1.390 163 1HB PHE 20 1HB PHE 20 4.858 3.688 -0.951 164 2HB PHE 20 2HB PHE 20 6.350 3.666 -0.008 165 HD1 PHE 20 1HD PHE 20 3.127 2.146 -0.345 166 HD2 PHE 20 2HD PHE 20 6.020 3.439 2.642 167 HE1 PHE 20 1HE PHE 20 2.175 0.635 1.261 168 HE2 PHE 20 2HE PHE 20 4.962 1.894 4.245 169 HZ PHE 20 HZ PHE 20 3.098 0.432 3.553 170 H GLY 21 H GLY 21 5.086 6.244 -2.086 171 1HA GLY 21 1HA GLY 21 7.485 7.836 -2.085 172 2HA GLY 21 2HA GLY 21 7.576 6.375 -3.101 173 H ASP 22 H ASP 22 7.773 8.237 -4.700 174 HA ASP 22 HA ASP 22 5.139 9.436 -5.359 175 1HB ASP 22 1HB ASP 22 7.438 10.735 -4.634 176 2HB ASP 22 2HB ASP 22 7.655 10.686 -6.378 177 H SER 23 H SER 23 6.882 6.933 -6.249 178 HA SER 23 HA SER 23 6.011 7.045 -9.096 179 1HB SER 23 1HB SER 23 8.503 5.697 -8.032 180 2HB SER 23 2HB SER 23 7.969 5.650 -9.679 181 HG SER 23 HG SER 23 9.307 7.590 -8.279 182 H VAL 24 H VAL 24 5.686 4.855 -9.976 183 HA VAL 24 HA VAL 24 3.953 3.294 -8.367 184 HB VAL 24 HB VAL 24 5.332 2.577 -10.987 185 1HG1 VAL 24 1HG1 VAL 24 4.373 0.536 -9.927 186 2HG1 VAL 24 2HG1 VAL 24 2.822 1.407 -9.756 187 3HG1 VAL 24 3HG1 VAL 24 3.460 1.026 -11.364 188 1HG2 VAL 24 1HG2 VAL 24 2.710 3.830 -10.231 189 2HG2 VAL 24 2HG2 VAL 24 4.047 4.555 -11.181 190 3HG2 VAL 24 3HG2 VAL 24 3.082 3.246 -11.882 191 H GLU 25 H GLU 25 7.216 2.322 -9.624 192 HA GLU 25 HA GLU 25 7.012 -0.018 -8.052 193 1HB GLU 25 1HB GLU 25 9.126 1.254 -9.738 194 2HB GLU 25 2HB GLU 25 9.637 -0.039 -8.641 195 1HG GLU 25 1HG GLU 25 7.717 -1.454 -9.533 196 2HG GLU 25 2HG GLU 25 7.613 -0.327 -10.876 197 H GLU 26 H GLU 26 8.302 3.116 -7.431 198 HA GLU 26 HA GLU 26 9.791 2.683 -4.988 199 1HB GLU 26 1HB GLU 26 7.916 4.983 -5.734 200 2HB GLU 26 2HB GLU 26 8.832 4.894 -4.241 201 1HG GLU 26 1HG GLU 26 10.964 4.962 -5.394 202 2HG GLU 26 2HG GLU 26 10.146 4.820 -6.957 203 H ALA 27 H ALA 27 6.276 3.580 -5.272 204 HA ALA 27 HA ALA 27 5.760 3.086 -2.607 205 1HB ALA 27 1HB ALA 27 3.885 2.956 -5.016 206 2HB ALA 27 2HB ALA 27 3.370 3.196 -3.328 207 3HB ALA 27 3HB ALA 27 4.346 4.433 -4.159 208 H LEU 28 H LEU 28 5.381 0.871 -5.417 209 HA LEU 28 HA LEU 28 4.296 -1.283 -4.123 210 1HB LEU 28 1HB LEU 28 5.106 -0.721 -6.638 211 2HB LEU 28 2HB LEU 28 6.518 -1.651 -6.205 212 HG LEU 28 HG LEU 28 3.643 -2.573 -6.024 213 1HD1 LEU 28 1HD1 LEU 28 5.738 -3.124 -8.175 214 2HD1 LEU 28 2HD1 LEU 28 4.141 -3.904 -8.097 215 3HD1 LEU 28 3HD1 LEU 28 4.273 -2.168 -8.379 216 1HD2 LEU 28 1HD2 LEU 28 6.275 -4.097 -5.817 217 2HD2 LEU 28 2HD2 LEU 28 5.006 -3.919 -4.574 218 3HD2 LEU 28 3HD2 LEU 28 4.688 -4.881 -6.027 219 H SER 29 H SER 29 7.847 -0.506 -4.425 220 HA SER 29 HA SER 29 8.687 -2.932 -3.100 221 1HB SER 29 1HB SER 29 9.980 -0.789 -4.488 222 2HB SER 29 2HB SER 29 10.585 -0.725 -2.835 223 HG SER 29 HG SER 29 11.802 -2.197 -4.033 224 H GLU 30 H GLU 30 8.375 0.491 -2.104 225 HA GLU 30 HA GLU 30 9.484 0.274 0.483 226 1HB GLU 30 1HB GLU 30 7.151 1.848 -0.679 227 2HB GLU 30 2HB GLU 30 7.843 2.179 0.892 228 1HG GLU 30 1HG GLU 30 9.642 2.335 -1.481 229 2HG GLU 30 2HG GLU 30 8.355 3.536 -1.332 230 H ALA 31 H ALA 31 6.101 -0.202 -0.667 231 HA ALA 31 HA ALA 31 4.842 -0.794 1.800 232 1HB ALA 31 1HB ALA 31 4.370 -2.019 -0.934 233 2HB ALA 31 2HB ALA 31 3.221 -1.969 0.435 234 3HB ALA 31 3HB ALA 31 3.745 -0.466 -0.374 235 H ARG 32 H ARG 32 6.352 -3.114 -0.450 236 HA ARG 32 HA ARG 32 6.409 -5.433 1.169 237 1HB ARG 32 1HB ARG 32 7.529 -4.446 -1.238 238 2HB ARG 32 2HB ARG 32 8.940 -4.836 -0.264 239 1HG ARG 32 1HG ARG 32 8.363 -7.117 -0.143 240 2HG ARG 32 2HG ARG 32 6.700 -6.830 -0.712 241 1HD ARG 32 1HD ARG 32 7.634 -5.879 -2.832 242 2HD ARG 32 2HD ARG 32 9.258 -6.322 -2.301 243 HE ARG 32 HE ARG 32 8.296 -8.704 -2.178 244 1HH1 ARG 32 2HH2 ARG 32 7.549 -6.284 -4.700 245 2HH1 ARG 32 1HH2 ARG 32 7.283 -7.467 -5.912 246 1HH2 ARG 32 2HH1 ARG 32 7.803 -10.203 -3.698 247 2HH2 ARG 32 1HH1 ARG 32 7.170 -9.786 -5.279 248 H GLU 33 H GLU 33 8.703 -2.752 1.136 249 HA GLU 33 HA GLU 33 10.330 -3.851 3.103 250 1HB GLU 33 1HB GLU 33 10.320 -1.606 1.320 251 2HB GLU 33 2HB GLU 33 10.501 -0.886 2.926 252 1HG GLU 33 1HG GLU 33 12.429 -2.182 3.363 253 2HG GLU 33 2HG GLU 33 12.127 -3.223 1.945 254 H HIS 34 H HIS 34 7.347 -2.132 3.481 255 HA HIS 34 HA HIS 34 7.877 -1.429 6.318 256 1HB HIS 34 1HB HIS 34 5.731 -0.603 4.345 257 2HB HIS 34 2HB HIS 34 5.613 -0.330 6.080 258 HD1 HIS 34 1HD HIS 34 8.202 0.520 3.329 259 HD2 HIS 34 2HD HIS 34 6.178 2.189 6.607 260 HE1 HIS 34 1HE HIS 34 9.045 2.904 3.546 261 H LEU 35 H LEU 35 5.891 -3.513 4.203 262 HA LEU 35 HA LEU 35 4.366 -4.802 6.243 263 1HB LEU 35 1HB LEU 35 5.412 -5.677 3.507 264 2HB LEU 35 2HB LEU 35 4.629 -6.808 4.601 265 HG LEU 35 HG LEU 35 2.727 -5.012 4.720 266 1HD1 LEU 35 1HD1 LEU 35 3.627 -3.248 3.465 267 2HD1 LEU 35 2HD1 LEU 35 3.780 -4.301 2.012 268 3HD1 LEU 35 3HD1 LEU 35 2.194 -3.884 2.695 269 1HD2 LEU 35 1HD2 LEU 35 1.634 -6.141 2.716 270 2HD2 LEU 35 2HD2 LEU 35 3.238 -6.762 2.251 271 3HD2 LEU 35 3HD2 LEU 35 2.456 -7.300 3.759 272 H LYS 36 H LYS 36 7.720 -5.360 5.059 273 HA LYS 36 HA LYS 36 8.229 -7.595 6.748 274 1HB LYS 36 1HB LYS 36 9.418 -6.533 4.609 275 2HB LYS 36 2HB LYS 36 10.380 -5.687 5.811 276 1HG LYS 36 1HG LYS 36 9.975 -8.708 5.976 277 2HG LYS 36 2HG LYS 36 10.974 -8.054 4.717 278 1HD LYS 36 1HD LYS 36 11.459 -7.620 7.668 279 2HD LYS 36 2HD LYS 36 12.295 -8.798 6.631 280 1HE LYS 36 1HE LYS 36 12.660 -6.550 5.170 281 2HE LYS 36 2HE LYS 36 12.554 -5.799 6.762 282 1HZ LYS 36 1HZ LYS 36 14.338 -7.386 7.428 283 2HZ LYS 36 2HZ LYS 36 14.459 -7.833 5.820 284 3HZ LYS 36 3HZ LYS 36 14.796 -6.292 6.285 285 H ASN 37 H ASN 37 8.148 -4.232 7.399 286 HA ASN 37 HA ASN 37 9.383 -4.540 10.095 287 1HB ASN 37 1HB ASN 37 8.824 -2.138 8.340 288 2HB ASN 37 2HB ASN 37 9.112 -1.986 10.074 289 1HD2 ASN 37 1HD2 ASN 37 10.751 -2.115 7.055 290 2HD2 ASN 37 2HD2 ASN 37 12.323 -2.355 7.767 291 H GLY 38 H GLY 38 6.304 -4.595 8.652 292 1HA GLY 38 1HA GLY 38 4.230 -4.854 9.555 293 2HA GLY 38 2HA GLY 38 4.863 -4.535 11.189 294 H THR 39 H THR 39 5.952 -2.099 9.039 295 HA THR 39 HA THR 39 4.283 -0.134 10.419 296 HB THR 39 HB THR 39 6.027 1.399 9.388 297 HG1 THR 39 1HG THR 39 7.759 0.555 8.423 298 1HG2 THR 39 1HG2 THR 39 7.077 -0.930 11.069 299 2HG2 THR 39 2HG2 THR 39 7.951 0.566 10.764 300 3HG2 THR 39 3HG2 THR 39 6.423 0.621 11.645 301 H CYS 40 H CYS 40 2.754 -1.611 8.621 302 HA CYS 40 HA CYS 40 2.272 0.314 6.406 303 1HB CYS 40 1HB CYS 40 3.552 -1.511 5.466 304 2HB CYS 40 2HB CYS 40 2.484 -2.712 6.213 305 HG CYS 40 HG CYS 40 1.362 -0.260 4.284 306 H GLY 41 H GLY 41 0.116 0.571 5.897 307 1HA GLY 41 1HA GLY 41 -1.911 -0.927 7.356 308 2HA GLY 41 2HA GLY 41 -1.988 0.807 7.373 309 H LEU 42 H LEU 42 -4.125 -0.310 6.410 310 HA LEU 42 HA LEU 42 -3.965 -0.578 3.437 311 1HB LEU 42 1HB LEU 42 -4.339 -2.736 4.646 312 2HB LEU 42 2HB LEU 42 -5.670 -2.007 5.533 313 HG LEU 42 HG LEU 42 -6.899 -1.702 3.334 314 1HD1 LEU 42 1HD1 LEU 42 -4.624 -3.455 2.288 315 2HD1 LEU 42 2HD1 LEU 42 -6.131 -3.137 1.424 316 3HD1 LEU 42 3HD1 LEU 42 -5.013 -1.811 1.748 317 1HD2 LEU 42 1HD2 LEU 42 -7.609 -4.020 3.187 318 2HD2 LEU 42 2HD2 LEU 42 -6.130 -4.570 4.024 319 3HD2 LEU 42 3HD2 LEU 42 -7.348 -3.602 4.874 320 H VAL 43 H VAL 43 -5.240 0.714 2.334 321 HA VAL 43 HA VAL 43 -7.448 2.160 3.663 322 HB VAL 43 HB VAL 43 -5.730 2.817 1.260 323 1HG1 VAL 43 1HG1 VAL 43 -8.030 3.478 0.684 324 2HG1 VAL 43 2HG1 VAL 43 -8.259 4.217 2.283 325 3HG1 VAL 43 3HG1 VAL 43 -7.125 4.929 1.124 326 1HG2 VAL 43 1HG2 VAL 43 -6.262 4.307 3.876 327 2HG2 VAL 43 2HG2 VAL 43 -4.801 3.381 3.496 328 3HG2 VAL 43 3HG2 VAL 43 -5.177 4.840 2.568 329 H GLU 44 H GLU 44 -9.482 1.787 2.894 330 HA GLU 44 HA GLU 44 -9.922 -0.513 1.187 331 1HB GLU 44 1HB GLU 44 -11.822 1.493 2.433 332 2HB GLU 44 2HB GLU 44 -12.324 0.016 1.609 333 1HG GLU 44 1HG GLU 44 -11.387 -1.398 3.270 334 2HG GLU 44 2HG GLU 44 -10.352 -0.144 3.933 335 H LEU 45 H LEU 45 -10.341 -0.560 -0.929 336 HA LEU 45 HA LEU 45 -10.308 1.858 -2.535 337 1HB LEU 45 1HB LEU 45 -10.667 -1.101 -3.028 338 2HB LEU 45 2HB LEU 45 -11.246 0.003 -4.262 339 HG LEU 45 HG LEU 45 -8.455 0.338 -3.122 340 1HD1 LEU 45 1HD1 LEU 45 -7.516 -1.035 -4.816 341 2HD1 LEU 45 2HD1 LEU 45 -8.655 -2.008 -3.858 342 3HD1 LEU 45 3HD1 LEU 45 -9.113 -1.429 -5.475 343 1HD2 LEU 45 1HD2 LEU 45 -8.469 2.055 -4.560 344 2HD2 LEU 45 2HD2 LEU 45 -8.450 0.882 -5.883 345 3HD2 LEU 45 3HD2 LEU 45 -9.987 1.538 -5.332 346 H GLU 46 H GLU 46 -11.876 3.131 -2.959 347 HA GLU 46 HA GLU 46 -14.686 2.506 -2.300 348 1HB GLU 46 1HB GLU 46 -12.706 4.319 -1.018 349 2HB GLU 46 2HB GLU 46 -14.267 5.045 -1.270 350 1HG GLU 46 1HG GLU 46 -13.903 2.392 0.192 351 2HG GLU 46 2HG GLU 46 -13.834 3.967 0.982 352 H LYS 47 H LYS 47 -16.031 4.567 -3.105 353 HA LYS 47 HA LYS 47 -15.237 5.283 -5.784 354 1HB LYS 47 1HB LYS 47 -17.602 5.342 -4.997 355 2HB LYS 47 2HB LYS 47 -17.187 6.665 -3.905 356 1HG LYS 47 1HG LYS 47 -18.204 7.674 -5.769 357 2HG LYS 47 2HG LYS 47 -16.492 8.042 -5.890 358 1HD LYS 47 1HD LYS 47 -16.176 6.345 -7.629 359 2HD LYS 47 2HD LYS 47 -17.862 5.799 -7.422 360 1HE LYS 47 1HE LYS 47 -18.646 8.100 -7.987 361 2HE LYS 47 2HE LYS 47 -16.973 8.597 -8.276 362 1HZ LYS 47 1HZ LYS 47 -18.328 6.430 -9.765 363 2HZ LYS 47 2HZ LYS 47 -18.286 8.008 -10.245 364 3HZ LYS 47 3HZ LYS 47 -16.872 7.151 -10.128 365 H GLY 48 H GLY 48 -15.091 7.095 -2.676 366 1HA GLY 48 1HA GLY 48 -13.890 9.385 -4.021 367 2HA GLY 48 2HA GLY 48 -14.514 9.281 -2.380 368 H VAL 49 H VAL 49 -12.113 6.871 -3.275 369 HA VAL 49 HA VAL 49 -10.289 8.128 -1.316 370 HB VAL 49 HB VAL 49 -10.915 5.416 -2.348 371 1HG1 VAL 49 1HG1 VAL 49 -8.981 4.328 -1.342 372 2HG1 VAL 49 2HG1 VAL 49 -8.408 5.418 -2.612 373 3HG1 VAL 49 3HG1 VAL 49 -8.283 5.896 -0.910 374 1HG2 VAL 49 1HG2 VAL 49 -11.899 6.318 -0.249 375 2HG2 VAL 49 2HG2 VAL 49 -10.877 4.904 0.079 376 3HG2 VAL 49 3HG2 VAL 49 -10.281 6.526 0.430 377 H LEU 50 H LEU 50 -10.128 6.987 -4.716 378 HA LEU 50 HA LEU 50 -7.370 7.425 -5.129 379 1HB LEU 50 1HB LEU 50 -9.847 7.588 -6.853 380 2HB LEU 50 2HB LEU 50 -8.292 8.084 -7.490 381 HG LEU 50 HG LEU 50 -9.409 5.412 -7.118 382 1HD1 LEU 50 1HD1 LEU 50 -8.823 6.273 -9.289 383 2HD1 LEU 50 2HD1 LEU 50 -7.148 6.542 -8.796 384 3HD1 LEU 50 3HD1 LEU 50 -7.773 4.891 -8.934 385 1HD2 LEU 50 1HD2 LEU 50 -7.392 4.138 -6.676 386 2HD2 LEU 50 2HD2 LEU 50 -6.488 5.630 -6.339 387 3HD2 LEU 50 3HD2 LEU 50 -7.821 5.115 -5.280 388 HA PRO 51 HA PRO 51 -8.045 12.051 -5.853 389 1HB PRO 51 1HB PRO 51 -10.373 13.337 -5.664 390 2HB PRO 51 2HB PRO 51 -10.133 12.173 -6.998 391 1HG PRO 51 1HG PRO 51 -11.529 11.674 -4.341 392 2HG PRO 51 2HG PRO 51 -12.149 11.306 -5.966 393 1HD PRO 51 1HD PRO 51 -10.790 9.570 -4.317 394 2HD PRO 51 2HD PRO 51 -10.857 9.344 -6.069 395 H GLN 52 H GLN 52 -7.558 10.670 -3.481 396 HA GLN 52 HA GLN 52 -7.320 12.847 -1.581 397 1HB GLN 52 1HB GLN 52 -8.502 10.166 -0.678 398 2HB GLN 52 2HB GLN 52 -7.890 11.441 0.374 399 1HG GLN 52 1HG GLN 52 -9.603 12.987 -0.643 400 2HG GLN 52 2HG GLN 52 -10.315 11.581 -1.436 401 1HE2 GLN 52 1HE2 GLN 52 -11.756 10.351 -0.284 402 2HE2 GLN 52 2HE2 GLN 52 -11.998 10.373 1.452 403 H LEU 53 H LEU 53 -6.427 9.731 -2.946 404 HA LEU 53 HA LEU 53 -4.024 9.307 -1.299 405 1HB LEU 53 1HB LEU 53 -5.345 8.043 -3.717 406 2HB LEU 53 2HB LEU 53 -3.673 7.683 -3.353 407 HG LEU 53 HG LEU 53 -5.635 6.124 -2.495 408 1HD1 LEU 53 1HD1 LEU 53 -3.388 5.491 -2.086 409 2HD1 LEU 53 2HD1 LEU 53 -3.095 6.881 -1.061 410 3HD1 LEU 53 3HD1 LEU 53 -4.131 5.570 -0.454 411 1HD2 LEU 53 1HD2 LEU 53 -6.718 7.877 -1.075 412 2HD2 LEU 53 2HD2 LEU 53 -6.224 6.414 -0.231 413 3HD2 LEU 53 3HD2 LEU 53 -5.265 7.889 -0.068 414 H GLU 54 H GLU 54 -1.920 9.011 -2.821 415 HA GLU 54 HA GLU 54 -1.453 11.686 -3.973 416 1HB GLU 54 1HB GLU 54 0.370 9.285 -3.504 417 2HB GLU 54 2HB GLU 54 0.832 10.847 -4.173 418 1HG GLU 54 1HG GLU 54 -0.504 11.572 -1.821 419 2HG GLU 54 2HG GLU 54 0.253 10.061 -1.370 420 H GLN 55 H GLN 55 -0.170 8.717 -5.275 421 HA GLN 55 HA GLN 55 -1.973 8.759 -7.536 422 1HB GLN 55 1HB GLN 55 0.519 10.286 -7.575 423 2HB GLN 55 2HB GLN 55 0.445 9.044 -8.871 424 1HG GLN 55 1HG GLN 55 -1.897 10.943 -8.385 425 2HG GLN 55 2HG GLN 55 -0.513 11.435 -9.294 426 1HE2 GLN 55 1HE2 GLN 55 -2.288 8.221 -9.244 427 2HE2 GLN 55 2HE2 GLN 55 -2.210 8.225 -10.975 428 HA PRO 56 HA PRO 56 0.817 5.095 -8.173 429 1HB PRO 56 1HB PRO 56 2.992 4.496 -6.642 430 2HB PRO 56 2HB PRO 56 3.001 5.475 -8.150 431 1HG PRO 56 1HG PRO 56 3.119 6.432 -5.312 432 2HG PRO 56 2HG PRO 56 3.969 7.056 -6.747 433 1HD PRO 56 1HD PRO 56 1.689 8.257 -5.779 434 2HD PRO 56 2HD PRO 56 2.158 8.263 -7.513 435 H TYR 57 H TYR 57 -1.108 4.514 -7.439 436 HA TYR 57 HA TYR 57 -1.702 3.822 -4.682 437 1HB TYR 57 1HB TYR 57 -3.212 2.871 -7.128 438 2HB TYR 57 2HB TYR 57 -3.833 3.108 -5.496 439 HD1 TYR 57 1HD TYR 57 -4.252 4.266 -8.589 440 HD2 TYR 57 2HD TYR 57 -2.975 5.832 -4.788 441 HE1 TYR 57 1HE TYR 57 -4.842 6.599 -9.334 442 HE2 TYR 57 2HE TYR 57 -3.589 8.139 -5.519 443 HH TYR 57 HH TYR 57 -4.593 9.368 -7.040 444 H VAL 58 H VAL 58 0.022 2.428 -4.119 445 HA VAL 58 HA VAL 58 0.643 -0.157 -5.131 446 HB VAL 58 HB VAL 58 2.132 0.948 -3.686 447 1HG1 VAL 58 1HG1 VAL 58 1.215 2.345 -2.588 448 2HG1 VAL 58 2HG1 VAL 58 -0.079 1.267 -2.011 449 3HG1 VAL 58 3HG1 VAL 58 1.602 1.099 -1.355 450 1HG2 VAL 58 1HG2 VAL 58 2.107 -1.543 -3.742 451 2HG2 VAL 58 2HG2 VAL 58 2.734 -0.823 -2.272 452 3HG2 VAL 58 3HG2 VAL 58 1.090 -1.517 -2.296 453 H PHE 59 H PHE 59 -1.287 -1.161 -5.807 454 HA PHE 59 HA PHE 59 -3.477 -1.604 -3.904 455 1HB PHE 59 1HB PHE 59 -2.843 -2.588 -6.723 456 2HB PHE 59 2HB PHE 59 -4.326 -2.925 -5.865 457 HD1 PHE 59 1HD PHE 59 -3.322 -1.212 -8.499 458 HD2 PHE 59 2HD PHE 59 -5.210 -0.393 -4.705 459 HE1 PHE 59 1HE PHE 59 -4.500 0.785 -9.470 460 HE2 PHE 59 2HE PHE 59 -6.281 1.614 -5.674 461 HZ PHE 59 HZ PHE 59 -6.010 2.143 -8.073 462 H ILE 60 H ILE 60 -4.444 -3.574 -3.595 463 HA ILE 60 HA ILE 60 -2.608 -5.860 -3.734 464 HB ILE 60 HB ILE 60 -3.464 -6.732 -1.667 465 1HG1 ILE 60 1HG1 ILE 60 -4.849 -4.101 -1.158 466 2HG1 ILE 60 2HG1 ILE 60 -5.647 -5.614 -1.624 467 1HG2 ILE 60 1HG2 ILE 60 -2.143 -5.367 -0.202 468 2HG2 ILE 60 2HG2 ILE 60 -1.395 -5.390 -1.801 469 3HG2 ILE 60 3HG2 ILE 60 -2.341 -3.971 -1.299 470 1HD1 ILE 60 1HD1 ILE 60 -4.883 -6.742 0.364 471 2HD1 ILE 60 2HD1 ILE 60 -4.103 -5.240 0.929 472 3HD1 ILE 60 3HD1 ILE 60 -5.864 -5.309 0.716 473 H LYS 61 H LYS 61 -3.406 -7.518 -4.786 474 HA LYS 61 HA LYS 61 -6.345 -7.657 -5.336 475 1HB LYS 61 1HB LYS 61 -5.580 -8.559 -7.640 476 2HB LYS 61 2HB LYS 61 -5.556 -6.825 -7.377 477 1HG LYS 61 1HG LYS 61 -3.319 -6.694 -7.513 478 2HG LYS 61 2HG LYS 61 -3.003 -8.248 -6.748 479 1HD LYS 61 1HD LYS 61 -2.309 -8.294 -9.119 480 2HD LYS 61 2HD LYS 61 -3.585 -9.483 -8.752 481 1HE LYS 61 1HE LYS 61 -5.238 -7.753 -9.646 482 2HE LYS 61 2HE LYS 61 -3.813 -6.787 -10.075 483 1HZ LYS 61 1HZ LYS 61 -3.148 -8.577 -11.584 484 2HZ LYS 61 2HZ LYS 61 -4.281 -9.565 -11.042 485 3HZ LYS 61 3HZ LYS 61 -4.744 -8.268 -11.913 486 H ARG 62 H ARG 62 -7.161 -9.787 -5.464 487 HA ARG 62 HA ARG 62 -5.763 -11.555 -3.671 488 1HB ARG 62 1HB ARG 62 -7.700 -12.972 -3.761 489 2HB ARG 62 2HB ARG 62 -8.144 -11.289 -3.445 490 1HG ARG 62 1HG ARG 62 -9.122 -10.995 -5.497 491 2HG ARG 62 2HG ARG 62 -7.982 -11.996 -6.287 492 1HD ARG 62 1HD ARG 62 -9.221 -13.991 -4.963 493 2HD ARG 62 2HD ARG 62 -10.576 -12.860 -5.037 494 HE ARG 62 HE ARG 62 -9.391 -14.448 -7.166 495 1HH1 ARG 62 2HH2 ARG 62 -11.516 -11.716 -6.609 496 2HH1 ARG 62 1HH2 ARG 62 -11.698 -11.303 -8.291 497 1HH2 ARG 62 2HH1 ARG 62 -9.911 -14.219 -9.299 498 2HH2 ARG 62 1HH1 ARG 62 -10.821 -12.896 -9.919 499 H SER 63 H SER 63 -4.027 -11.489 -5.330 500 HA SER 63 HA SER 63 -2.467 -12.647 -6.611 501 1HB SER 63 1HB SER 63 -2.694 -14.303 -4.813 502 2HB SER 63 2HB SER 63 -4.120 -15.006 -5.570 503 HG SER 63 HG SER 63 -2.701 -16.352 -6.300 504 H ASP 64 H ASP 64 -4.079 -15.237 -7.713 505 HA ASP 64 HA ASP 64 -6.430 -14.309 -8.839 506 1HB ASP 64 1HB ASP 64 -4.279 -13.821 -10.639 507 2HB ASP 64 2HB ASP 64 -4.963 -15.305 -11.216 508 H ALA 65 H ALA 65 -3.765 -16.668 -8.997 509 HA ALA 65 HA ALA 65 -5.695 -18.896 -9.230 510 1HB ALA 65 1HB ALA 65 -3.733 -20.258 -9.475 511 2HB ALA 65 2HB ALA 65 -3.810 -18.954 -10.685 512 3HB ALA 65 3HB ALA 65 -2.684 -18.829 -9.288 513 H LEU 66 H LEU 66 -6.467 -19.640 -7.578 514 HA LEU 66 HA LEU 66 -5.206 -20.524 -5.140 515 1HB LEU 66 1HB LEU 66 -7.050 -19.230 -3.832 516 2HB LEU 66 2HB LEU 66 -5.553 -18.447 -4.253 517 HG LEU 66 HG LEU 66 -7.498 -18.085 -6.450 518 1HD1 LEU 66 1HD1 LEU 66 -9.026 -16.551 -5.200 519 2HD1 LEU 66 2HD1 LEU 66 -9.219 -18.231 -4.664 520 3HD1 LEU 66 3HD1 LEU 66 -8.312 -17.080 -3.662 521 1HD2 LEU 66 1HD2 LEU 66 -6.224 -16.053 -4.609 522 2HD2 LEU 66 2HD2 LEU 66 -5.373 -16.905 -5.910 523 3HD2 LEU 66 3HD2 LEU 66 -6.777 -15.886 -6.302 524 H SER 67 H SER 67 -7.219 -21.494 -3.771 525 HA SER 67 HA SER 67 -9.566 -22.167 -5.406 526 1HB SER 67 1HB SER 67 -8.347 -24.070 -5.946 527 2HB SER 67 2HB SER 67 -7.427 -24.056 -4.446 528 HG SER 67 HG SER 67 -9.792 -25.286 -5.092 529 H THR 68 H THR 68 -11.389 -22.485 -4.111 530 HA THR 68 HA THR 68 -11.170 -21.924 -1.203 531 HB THR 68 HB THR 68 -13.605 -22.143 -3.023 532 HG1 THR 68 1HG THR 68 -12.277 -20.336 -3.465 533 1HG2 THR 68 1HG2 THR 68 -13.337 -21.100 -0.175 534 2HG2 THR 68 2HG2 THR 68 -14.805 -21.030 -1.179 535 3HG2 THR 68 3HG2 THR 68 -14.177 -22.588 -0.648 536 H ASN 69 H ASN 69 -9.934 -24.054 -1.275 537 HA ASN 69 HA ASN 69 -11.944 -25.887 -0.171 538 1HB ASN 69 1HB ASN 69 -9.584 -26.884 -1.817 539 2HB ASN 69 2HB ASN 69 -10.329 -27.843 -0.536 540 1HD2 ASN 69 1HD2 ASN 69 -10.268 -28.145 -3.583 541 2HD2 ASN 69 2HD2 ASN 69 -11.954 -28.458 -3.956 542 H HIS 70 H HIS 70 -8.546 -26.582 0.094 543 HA HIS 70 HA HIS 70 -8.651 -25.520 2.838 544 1HB HIS 70 1HB HIS 70 -8.108 -27.968 2.099 545 2HB HIS 70 2HB HIS 70 -6.492 -27.356 1.796 546 HD1 HIS 70 1HD HIS 70 -7.398 -29.445 4.117 547 HD2 HIS 70 2HD HIS 70 -6.743 -25.297 4.566 548 HE1 HIS 70 1HE HIS 70 -7.045 -29.041 6.598 549 H GLY 71 H GLY 71 -8.496 -23.337 1.662 550 1HA GLY 71 1HA GLY 71 -5.984 -22.197 2.212 551 2HA GLY 71 2HA GLY 71 -6.148 -22.366 0.452 552 H HIS 72 H HIS 72 -6.016 -19.855 1.675 553 HA HIS 72 HA HIS 72 -8.798 -18.879 1.868 554 1HB HIS 72 1HB HIS 72 -6.236 -17.526 2.668 555 2HB HIS 72 2HB HIS 72 -7.852 -16.896 2.948 556 HD1 HIS 72 1HD HIS 72 -9.402 -18.409 4.827 557 HD2 HIS 72 2HD HIS 72 -5.332 -19.275 4.275 558 HE1 HIS 72 1HE HIS 72 -8.717 -19.878 6.784 559 H LYS 73 H LYS 73 -9.046 -16.514 1.164 560 HA LYS 73 HA LYS 73 -8.083 -16.121 -1.557 561 1HB LYS 73 1HB LYS 73 -9.778 -14.449 0.308 562 2HB LYS 73 2HB LYS 73 -8.936 -13.669 -1.034 563 1HG LYS 73 1HG LYS 73 -9.896 -15.318 -2.630 564 2HG LYS 73 2HG LYS 73 -10.821 -16.053 -1.325 565 1HD LYS 73 1HD LYS 73 -11.126 -13.129 -2.135 566 2HD LYS 73 2HD LYS 73 -12.006 -14.444 -2.928 567 1HE LYS 73 1HE LYS 73 -12.927 -15.136 -0.714 568 2HE LYS 73 2HE LYS 73 -12.171 -13.710 0.019 569 1HZ LYS 73 1HZ LYS 73 -13.581 -12.321 -1.326 570 2HZ LYS 73 2HZ LYS 73 -14.194 -13.593 -2.150 571 3HZ LYS 73 3HZ LYS 73 -14.529 -13.434 -0.561 572 H VAL 74 H VAL 74 -5.952 -16.227 -1.480 573 HA VAL 74 HA VAL 74 -4.312 -14.599 0.303 574 HB VAL 74 HB VAL 74 -2.492 -15.742 -0.860 575 1HG1 VAL 74 1HG1 VAL 74 -2.843 -17.909 -0.098 576 2HG1 VAL 74 2HG1 VAL 74 -4.206 -17.105 0.726 577 3HG1 VAL 74 3HG1 VAL 74 -4.479 -18.006 -0.751 578 1HG2 VAL 74 1HG2 VAL 74 -2.854 -17.284 -2.700 579 2HG2 VAL 74 2HG2 VAL 74 -4.579 -16.831 -2.776 580 3HG2 VAL 74 3HG2 VAL 74 -3.334 -15.624 -3.127 581 H VAL 75 H VAL 75 -2.729 -12.868 -0.703 582 HA VAL 75 HA VAL 75 -3.820 -11.721 -3.181 583 HB VAL 75 HB VAL 75 -3.941 -9.481 -2.269 584 1HG1 VAL 75 1HG1 VAL 75 -6.093 -10.208 -2.208 585 2HG1 VAL 75 2HG1 VAL 75 -5.766 -11.579 -1.153 586 3HG1 VAL 75 3HG1 VAL 75 -5.828 -9.971 -0.473 587 1HG2 VAL 75 1HG2 VAL 75 -2.994 -10.701 0.283 588 2HG2 VAL 75 2HG2 VAL 75 -2.347 -9.338 -0.621 589 3HG2 VAL 75 3HG2 VAL 75 -3.891 -9.149 0.220 590 H GLU 76 H GLU 76 -2.348 -9.601 -3.696 591 HA GLU 76 HA GLU 76 0.438 -10.143 -3.069 592 1HB GLU 76 1HB GLU 76 1.128 -10.218 -5.411 593 2HB GLU 76 2HB GLU 76 0.021 -11.555 -5.094 594 1HG GLU 76 1HG GLU 76 -1.825 -10.352 -6.177 595 2HG GLU 76 2HG GLU 76 -0.807 -8.916 -6.390 596 H LEU 77 H LEU 77 1.787 -8.367 -3.857 597 HA LEU 77 HA LEU 77 0.576 -5.725 -3.632 598 1HB LEU 77 1HB LEU 77 3.360 -6.880 -4.095 599 2HB LEU 77 2HB LEU 77 3.046 -5.188 -4.424 600 HG LEU 77 HG LEU 77 2.320 -6.323 -1.719 601 1HD1 LEU 77 1HD1 LEU 77 4.727 -6.850 -2.109 602 2HD1 LEU 77 2HD1 LEU 77 5.019 -5.139 -2.492 603 3HD1 LEU 77 3HD1 LEU 77 4.497 -5.592 -0.863 604 1HD2 LEU 77 1HD2 LEU 77 1.478 -4.062 -2.337 605 2HD2 LEU 77 2HD2 LEU 77 2.706 -3.961 -1.056 606 3HD2 LEU 77 3HD2 LEU 77 3.132 -3.549 -2.715 607 H VAL 78 H VAL 78 0.155 -4.380 -5.236 608 HA VAL 78 HA VAL 78 1.365 -4.579 -7.862 609 HB VAL 78 HB VAL 78 -1.645 -4.424 -7.337 610 1HG1 VAL 78 1HG1 VAL 78 -2.142 -3.970 -9.558 611 2HG1 VAL 78 2HG1 VAL 78 -1.322 -2.587 -8.861 612 3HG1 VAL 78 3HG1 VAL 78 -0.432 -3.677 -9.975 613 1HG2 VAL 78 1HG2 VAL 78 -1.744 -6.070 -9.139 614 2HG2 VAL 78 2HG2 VAL 78 0.025 -6.077 -9.220 615 3HG2 VAL 78 3HG2 VAL 78 -0.799 -6.647 -7.745 616 H ALA 79 H ALA 79 0.769 -2.209 -8.765 617 HA ALA 79 HA ALA 79 0.350 -0.052 -6.908 618 1HB ALA 79 1HB ALA 79 2.714 -0.464 -6.358 619 2HB ALA 79 2HB ALA 79 3.148 -0.320 -8.081 620 3HB ALA 79 3HB ALA 79 2.494 1.072 -7.189 621 H GLU 80 H GLU 80 -0.042 1.929 -8.264 622 HA GLU 80 HA GLU 80 0.140 1.645 -11.191 623 1HB GLU 80 1HB GLU 80 -2.163 0.766 -9.671 624 2HB GLU 80 2HB GLU 80 -2.533 2.209 -10.594 625 1HG GLU 80 1HG GLU 80 -1.475 -0.400 -11.666 626 2HG GLU 80 2HG GLU 80 -3.077 0.271 -11.922 627 H MET 81 H MET 81 0.539 3.682 -11.989 628 HA MET 81 HA MET 81 0.028 5.975 -10.201 629 1HB MET 81 1HB MET 81 1.359 7.291 -11.663 630 2HB MET 81 2HB MET 81 2.252 5.895 -11.205 631 1HG MET 81 1HG MET 81 2.145 4.950 -13.369 632 2HG MET 81 2HG MET 81 0.654 5.808 -13.762 633 1HE MET 81 1HE MET 81 4.763 7.891 -13.744 634 2HE MET 81 2HE MET 81 3.868 7.572 -12.240 635 3HE MET 81 3HE MET 81 4.498 6.220 -13.214 636 H ASP 82 H ASP 82 -1.864 4.358 -12.525 637 HA ASP 82 HA ASP 82 -3.564 6.786 -12.419 638 1HB ASP 82 1HB ASP 82 -2.313 6.827 -14.628 639 2HB ASP 82 2HB ASP 82 -3.175 5.367 -15.076 640 H GLY 83 H GLY 83 -3.333 4.282 -11.117 641 1HA GLY 83 1HA GLY 83 -4.423 2.541 -10.357 642 2HA GLY 83 2HA GLY 83 -5.930 3.372 -10.766 643 H ILE 84 H ILE 84 -3.958 2.697 -13.453 644 HA ILE 84 HA ILE 84 -5.701 2.550 -15.093 645 HB ILE 84 HB ILE 84 -3.393 0.602 -15.133 646 1HG1 ILE 84 1HG1 ILE 84 -3.933 3.144 -16.750 647 2HG1 ILE 84 2HG1 ILE 84 -3.152 3.164 -15.187 648 1HG2 ILE 84 1HG2 ILE 84 -3.601 0.117 -17.449 649 2HG2 ILE 84 2HG2 ILE 84 -5.109 -0.346 -16.755 650 3HG2 ILE 84 3HG2 ILE 84 -5.018 1.184 -17.639 651 1HD1 ILE 84 1HD1 ILE 84 -2.011 1.699 -17.581 652 2HD1 ILE 84 2HD1 ILE 84 -1.535 3.299 -17.020 653 3HD1 ILE 84 3HD1 ILE 84 -1.270 1.884 -15.998 654 H GLN 85 H GLN 85 -5.022 -0.782 -14.086 655 HA GLN 85 HA GLN 85 -7.717 -1.572 -15.080 656 1HB GLN 85 1HB GLN 85 -6.007 -2.759 -16.144 657 2HB GLN 85 2HB GLN 85 -4.992 -2.816 -14.720 658 1HG GLN 85 1HG GLN 85 -5.820 -4.981 -15.383 659 2HG GLN 85 2HG GLN 85 -6.203 -4.546 -13.722 660 1HE2 GLN 85 1HE2 GLN 85 -8.010 -3.650 -16.781 661 2HE2 GLN 85 2HE2 GLN 85 -9.500 -4.395 -16.240 662 H TYR 86 H TYR 86 -5.649 -1.713 -12.185 663 HA TYR 86 HA TYR 86 -7.294 -3.721 -10.964 664 1HB TYR 86 1HB TYR 86 -5.180 -2.053 -9.639 665 2HB TYR 86 2HB TYR 86 -5.669 -3.684 -9.226 666 HD1 TYR 86 1HD TYR 86 -5.220 -5.520 -11.005 667 HD2 TYR 86 2HD TYR 86 -3.437 -1.643 -11.141 668 HE1 TYR 86 1HE TYR 86 -3.225 -6.464 -12.237 669 HE2 TYR 86 2HE TYR 86 -1.559 -2.521 -12.488 670 HH TYR 86 HH TYR 86 -1.271 -5.984 -13.367 671 H GLY 87 H GLY 87 -7.078 -0.155 -10.712 672 1HA GLY 87 1HA GLY 87 -8.558 0.120 -8.253 673 2HA GLY 87 2HA GLY 87 -8.348 1.342 -9.536 674 H ARG 88 H ARG 88 -10.791 0.499 -8.033 675 HA ARG 88 HA ARG 88 -12.989 0.374 -8.335 676 1HB ARG 88 1HB ARG 88 -12.386 1.933 -10.278 677 2HB ARG 88 2HB ARG 88 -12.491 0.532 -11.319 678 1HG ARG 88 1HG ARG 88 -14.490 1.440 -11.658 679 2HG ARG 88 2HG ARG 88 -14.924 0.293 -10.389 680 1HD ARG 88 1HD ARG 88 -14.174 3.151 -9.693 681 2HD ARG 88 2HD ARG 88 -15.743 2.842 -10.414 682 HE ARG 88 HE ARG 88 -14.836 2.216 -7.731 683 1HH1 ARG 88 2HH2 ARG 88 -17.249 1.314 -10.225 684 2HH1 ARG 88 1HH2 ARG 88 -18.474 0.908 -9.081 685 1HH2 ARG 88 2HH1 ARG 88 -16.504 1.575 -6.199 686 2HH2 ARG 88 1HH1 ARG 88 -18.070 1.121 -6.758 687 H SER 89 H SER 89 -10.940 -1.964 -9.913 688 HA SER 89 HA SER 89 -13.008 -3.926 -10.443 689 1HB SER 89 1HB SER 89 -9.964 -4.221 -10.344 690 2HB SER 89 2HB SER 89 -11.124 -5.298 -11.111 691 HG SER 89 HG SER 89 -9.988 -3.187 -12.242 692 H GLY 90 H GLY 90 -13.775 -5.438 -9.027 693 1HA GLY 90 1HA GLY 90 -13.146 -5.192 -6.256 694 2HA GLY 90 2HA GLY 90 -14.290 -6.309 -6.983 695 H ILE 91 H ILE 91 -11.666 -7.259 -8.634 696 HA ILE 91 HA ILE 91 -10.623 -9.287 -6.932 697 HB ILE 91 HB ILE 91 -10.138 -9.380 -9.249 698 1HG1 ILE 91 1HG1 ILE 91 -7.577 -8.657 -7.954 699 2HG1 ILE 91 2HG1 ILE 91 -8.419 -10.182 -7.646 700 1HG2 ILE 91 1HG2 ILE 91 -8.475 -6.843 -9.198 701 2HG2 ILE 91 2HG2 ILE 91 -8.963 -7.818 -10.587 702 3HG2 ILE 91 3HG2 ILE 91 -10.156 -6.857 -9.745 703 1HD1 ILE 91 1HD1 ILE 91 -8.222 -10.733 -10.092 704 2HD1 ILE 91 2HD1 ILE 91 -7.191 -9.292 -10.278 705 3HD1 ILE 91 3HD1 ILE 91 -6.672 -10.622 -9.232 706 H THR 92 H THR 92 -9.890 -5.805 -7.246 707 HA THR 92 HA THR 92 -7.567 -6.038 -5.596 708 HB THR 92 HB THR 92 -8.877 -3.509 -6.604 709 HG1 THR 92 1HG THR 92 -8.127 -3.904 -8.478 710 1HG2 THR 92 1HG2 THR 92 -5.969 -4.315 -6.166 711 2HG2 THR 92 2HG2 THR 92 -6.591 -2.684 -6.541 712 3HG2 THR 92 3HG2 THR 92 -6.900 -3.432 -4.947 713 H LEU 93 H LEU 93 -7.561 -5.637 -3.429 714 HA LEU 93 HA LEU 93 -10.215 -5.327 -2.134 715 1HB LEU 93 1HB LEU 93 -7.612 -6.117 -0.874 716 2HB LEU 93 2HB LEU 93 -9.237 -6.214 -0.222 717 HG LEU 93 HG LEU 93 -8.160 -7.840 -2.566 718 1HD1 LEU 93 1HD1 LEU 93 -8.232 -9.714 -1.002 719 2HD1 LEU 93 2HD1 LEU 93 -7.257 -8.393 -0.318 720 3HD1 LEU 93 3HD1 LEU 93 -8.914 -8.650 0.258 721 1HD2 LEU 93 1HD2 LEU 93 -10.264 -9.171 -2.357 722 2HD2 LEU 93 2HD2 LEU 93 -10.881 -7.984 -1.182 723 3HD2 LEU 93 3HD2 LEU 93 -10.575 -7.512 -2.870 724 H GLY 94 H GLY 94 -6.886 -3.823 -1.930 725 1HA GLY 94 1HA GLY 94 -8.141 -1.263 -1.378 726 2HA GLY 94 2HA GLY 94 -7.296 -1.924 0.025 727 H VAL 95 H VAL 95 -6.065 0.087 -0.311 728 HA VAL 95 HA VAL 95 -3.732 -0.333 -2.095 729 HB VAL 95 HB VAL 95 -5.036 2.265 -1.197 730 1HG1 VAL 95 1HG1 VAL 95 -3.220 3.363 -2.608 731 2HG1 VAL 95 2HG1 VAL 95 -2.587 2.599 -1.146 732 3HG1 VAL 95 3HG1 VAL 95 -2.435 1.782 -2.718 733 1HG2 VAL 95 1HG2 VAL 95 -6.064 1.191 -3.205 734 2HG2 VAL 95 2HG2 VAL 95 -5.475 2.851 -3.378 735 3HG2 VAL 95 3HG2 VAL 95 -4.489 1.526 -3.998 736 H LEU 96 H LEU 96 -1.765 -0.284 -1.007 737 HA LEU 96 HA LEU 96 -1.721 -0.383 1.914 738 1HB LEU 96 1HB LEU 96 -0.078 -1.217 -0.483 739 2HB LEU 96 2HB LEU 96 0.832 -0.834 0.880 740 HG LEU 96 HG LEU 96 -0.095 -2.471 2.261 741 1HD1 LEU 96 1HD1 LEU 96 -2.402 -2.356 2.183 742 2HD1 LEU 96 2HD1 LEU 96 -2.476 -2.715 0.450 743 3HD1 LEU 96 3HD1 LEU 96 -2.033 -3.978 1.625 744 1HD2 LEU 96 1HD2 LEU 96 0.026 -3.670 -0.516 745 2HD2 LEU 96 2HD2 LEU 96 1.381 -3.387 0.591 746 3HD2 LEU 96 3HD2 LEU 96 0.156 -4.593 1.005 747 H VAL 97 H VAL 97 -0.449 0.930 3.170 748 HA VAL 97 HA VAL 97 1.040 3.216 2.041 749 HB VAL 97 HB VAL 97 -0.435 4.727 3.440 750 1HG1 VAL 97 1HG1 VAL 97 -1.816 5.247 1.584 751 2HG1 VAL 97 2HG1 VAL 97 -0.452 4.387 0.818 752 3HG1 VAL 97 3HG1 VAL 97 -1.981 3.559 1.100 753 1HG2 VAL 97 1HG2 VAL 97 -2.493 2.464 3.263 754 2HG2 VAL 97 2HG2 VAL 97 -1.563 2.803 4.726 755 3HG2 VAL 97 3HG2 VAL 97 -2.664 4.023 4.070 756 HA PRO 98 HA PRO 98 3.165 2.380 5.772 757 1HB PRO 98 1HB PRO 98 3.866 4.985 6.645 758 2HB PRO 98 2HB PRO 98 4.810 3.895 5.597 759 1HG PRO 98 1HG PRO 98 3.302 6.275 4.859 760 2HG PRO 98 2HG PRO 98 4.502 5.380 3.896 761 1HD PRO 98 1HD PRO 98 1.651 5.435 3.659 762 2HD PRO 98 2HD PRO 98 2.796 4.442 2.716 763 H HIS 99 H HIS 99 2.650 2.108 7.900 764 HA HIS 99 HA HIS 99 0.256 3.464 9.037 765 1HB HIS 99 1HB HIS 99 0.178 1.041 9.221 766 2HB HIS 99 2HB HIS 99 1.776 0.960 9.876 767 HD1 HIS 99 1HD HIS 99 1.482 0.318 12.438 768 HD2 HIS 99 2HD HIS 99 -1.238 3.230 11.042 769 HE1 HIS 99 1HE HIS 99 -0.072 0.798 14.330 770 H VAL 100 H VAL 100 0.782 5.236 10.250 771 HA VAL 100 HA VAL 100 3.411 5.235 11.667 772 HB VAL 100 HB VAL 100 3.515 7.618 11.459 773 1HG1 VAL 100 1HG1 VAL 100 4.483 6.204 9.649 774 2HG1 VAL 100 2HG1 VAL 100 2.991 6.405 8.705 775 3HG1 VAL 100 3HG1 VAL 100 4.009 7.808 9.090 776 1HG2 VAL 100 1HG2 VAL 100 1.176 8.270 11.411 777 2HG2 VAL 100 2HG2 VAL 100 1.990 8.903 9.984 778 3HG2 VAL 100 3HG2 VAL 100 0.937 7.478 9.847 779 H GLY 101 H GLY 101 1.227 3.879 12.673 780 1HA GLY 101 1HA GLY 101 0.399 3.507 14.732 781 2HA GLY 101 2HA GLY 101 1.171 4.973 15.281 782 H GLU 102 H GLU 102 -0.694 6.005 12.835 783 HA GLU 102 HA GLU 102 -2.126 7.731 14.261 784 1HB GLU 102 1HB GLU 102 -2.342 6.703 11.471 785 2HB GLU 102 2HB GLU 102 -3.722 7.646 12.036 786 1HG GLU 102 1HG GLU 102 -0.844 8.552 12.294 787 2HG GLU 102 2HG GLU 102 -1.882 9.029 10.981 788 H THR 103 H THR 103 -4.495 5.664 12.613 789 HA THR 103 HA THR 103 -5.763 4.811 15.081 790 HB THR 103 HB THR 103 -6.824 7.189 13.491 791 HG1 THR 103 1HG THR 103 -5.365 7.155 15.519 792 1HG2 THR 103 1HG2 THR 103 -8.176 5.494 15.611 793 2HG2 THR 103 2HG2 THR 103 -8.772 7.077 15.037 794 3HG2 THR 103 3HG2 THR 103 -8.711 5.697 13.924 795 HA PRO 104 HA PRO 104 -7.408 2.492 11.575 796 1HB PRO 104 1HB PRO 104 -7.256 -0.049 12.598 797 2HB PRO 104 2HB PRO 104 -5.935 0.805 11.758 798 1HG PRO 104 1HG PRO 104 -6.335 0.376 14.703 799 2HG PRO 104 2HG PRO 104 -4.815 0.345 13.774 800 1HD PRO 104 1HD PRO 104 -5.805 2.535 15.262 801 2HD PRO 104 2HD PRO 104 -4.552 2.641 13.991 802 H ILE 105 H ILE 105 -9.215 1.136 11.467 803 HA ILE 105 HA ILE 105 -11.238 1.349 13.653 804 HB ILE 105 HB ILE 105 -12.859 1.856 11.819 805 1HG1 ILE 105 1HG1 ILE 105 -11.031 0.989 10.022 806 2HG1 ILE 105 2HG1 ILE 105 -12.341 2.044 9.633 807 1HG2 ILE 105 1HG2 ILE 105 -11.995 3.601 13.300 808 2HG2 ILE 105 2HG2 ILE 105 -10.646 3.930 12.206 809 3HG2 ILE 105 3HG2 ILE 105 -12.309 4.244 11.684 810 1HD1 ILE 105 1HD1 ILE 105 -9.516 3.003 10.199 811 2HD1 ILE 105 2HD1 ILE 105 -10.245 2.747 8.599 812 3HD1 ILE 105 3HD1 ILE 105 -10.876 4.002 9.674 813 H ALA 106 H ALA 106 -9.572 -0.708 11.538 814 HA ALA 106 HA ALA 106 -10.960 -2.937 12.530 815 1HB ALA 106 1HB ALA 106 -11.164 -2.487 9.504 816 2HB ALA 106 2HB ALA 106 -11.579 -3.995 10.344 817 3HB ALA 106 3HB ALA 106 -12.517 -2.530 10.642 818 H TYR 107 H TYR 107 -9.806 -4.954 11.468 819 HA TYR 107 HA TYR 107 -7.054 -4.388 10.442 820 1HB TYR 107 1HB TYR 107 -7.968 -6.048 12.784 821 2HB TYR 107 2HB TYR 107 -6.623 -6.616 11.838 822 HD1 TYR 107 1HD TYR 107 -4.371 -5.622 12.067 823 HD2 TYR 107 2HD TYR 107 -7.857 -3.710 13.794 824 HE1 TYR 107 1HE TYR 107 -2.923 -4.032 13.232 825 HE2 TYR 107 2HE TYR 107 -6.401 -2.098 14.928 826 HH TYR 107 HH TYR 107 -2.808 -2.296 14.786 827 H ARG 108 H ARG 108 -6.456 -5.703 8.785 828 HA ARG 108 HA ARG 108 -8.507 -7.559 7.680 829 1HB ARG 108 1HB ARG 108 -8.215 -5.362 6.484 830 2HB ARG 108 2HB ARG 108 -6.526 -5.829 6.181 831 1HG ARG 108 1HG ARG 108 -7.598 -6.481 4.250 832 2HG ARG 108 2HG ARG 108 -7.550 -7.996 5.110 833 1HD ARG 108 1HD ARG 108 -9.956 -7.325 5.956 834 2HD ARG 108 2HD ARG 108 -9.899 -6.138 4.639 835 HE ARG 108 HE ARG 108 -9.240 -8.938 3.966 836 1HH1 ARG 108 2HH2 ARG 108 -11.819 -6.506 3.944 837 2HH1 ARG 108 1HH2 ARG 108 -12.895 -7.459 2.979 838 1HH2 ARG 108 2HH1 ARG 108 -10.534 -10.150 2.790 839 2HH2 ARG 108 1HH1 ARG 108 -12.071 -9.600 2.159 840 H ASN 109 H ASN 109 -7.700 -9.620 7.105 841 HA ASN 109 HA ASN 109 -4.834 -10.190 7.535 842 1HB ASN 109 1HB ASN 109 -5.875 -12.509 8.050 843 2HB ASN 109 2HB ASN 109 -5.929 -11.256 9.288 844 1HD2 ASN 109 1HD2 ASN 109 -7.661 -12.369 10.390 845 2HD2 ASN 109 2HD2 ASN 109 -9.290 -12.230 9.775 846 H VAL 110 H VAL 110 -3.799 -11.231 5.812 847 HA VAL 110 HA VAL 110 -5.351 -12.397 3.597 848 HB VAL 110 HB VAL 110 -4.065 -11.010 2.025 849 1HG1 VAL 110 1HG1 VAL 110 -5.405 -8.989 2.089 850 2HG1 VAL 110 2HG1 VAL 110 -6.390 -10.386 2.530 851 3HG1 VAL 110 3HG1 VAL 110 -5.816 -9.264 3.782 852 1HG2 VAL 110 1HG2 VAL 110 -2.211 -10.250 3.570 853 2HG2 VAL 110 2HG2 VAL 110 -2.966 -8.919 2.679 854 3HG2 VAL 110 3HG2 VAL 110 -3.366 -9.187 4.384 855 H LEU 111 H LEU 111 -3.586 -13.451 1.927 856 HA LEU 111 HA LEU 111 -1.193 -14.252 3.559 857 1HB LEU 111 1HB LEU 111 -2.652 -15.524 1.310 858 2HB LEU 111 2HB LEU 111 -1.040 -16.050 1.684 859 HG LEU 111 HG LEU 111 -2.789 -17.576 2.368 860 1HD1 LEU 111 1HD1 LEU 111 -0.676 -17.643 3.528 861 2HD1 LEU 111 2HD1 LEU 111 -1.319 -16.552 4.761 862 3HD1 LEU 111 3HD1 LEU 111 -2.027 -18.155 4.556 863 1HD2 LEU 111 1HD2 LEU 111 -4.562 -15.992 2.900 864 2HD2 LEU 111 2HD2 LEU 111 -4.278 -17.156 4.216 865 3HD2 LEU 111 3HD2 LEU 111 -3.692 -15.490 4.358 866 H LEU 112 H LEU 112 0.698 -14.783 2.026 867 HA LEU 112 HA LEU 112 1.248 -12.657 0.028 868 1HB LEU 112 1HB LEU 112 2.094 -12.396 2.563 869 2HB LEU 112 2HB LEU 112 3.186 -13.678 2.149 870 HG LEU 112 HG LEU 112 3.196 -10.805 1.394 871 1HD1 LEU 112 1HD1 LEU 112 5.500 -12.782 1.667 872 2HD1 LEU 112 2HD1 LEU 112 5.567 -11.012 1.781 873 3HD1 LEU 112 3HD1 LEU 112 4.765 -11.957 3.046 874 1HD2 LEU 112 1HD2 LEU 112 3.055 -11.715 -0.869 875 2HD2 LEU 112 2HD2 LEU 112 4.649 -11.047 -0.544 876 3HD2 LEU 112 3HD2 LEU 112 4.438 -12.800 -0.538 877 H ARG 113 H ARG 113 2.195 -13.627 -1.835 878 HA ARG 113 HA ARG 113 2.740 -16.431 -2.031 879 1HB ARG 113 1HB ARG 113 3.462 -13.996 -3.722 880 2HB ARG 113 2HB ARG 113 4.088 -15.568 -4.150 881 1HG ARG 113 1HG ARG 113 2.265 -16.150 -5.236 882 2HG ARG 113 2HG ARG 113 1.299 -15.827 -3.817 883 1HD ARG 113 1HD ARG 113 0.346 -14.050 -4.860 884 2HD ARG 113 2HD ARG 113 1.893 -13.248 -4.934 885 HE ARG 113 HE ARG 113 0.440 -14.359 -7.113 886 1HH1 ARG 113 2HH2 ARG 113 3.783 -13.590 -6.059 887 2HH1 ARG 113 1HH2 ARG 113 4.434 -13.670 -7.629 888 1HH2 ARG 113 2HH1 ARG 113 1.223 -14.067 -9.163 889 2HH2 ARG 113 1HH1 ARG 113 2.874 -13.734 -9.495 890 H LYS 114 H LYS 114 4.082 -16.991 -0.415 891 HA LYS 114 HA LYS 114 6.974 -16.418 -0.932 892 1HB LYS 114 1HB LYS 114 5.465 -17.320 1.559 893 2HB LYS 114 2HB LYS 114 7.171 -17.656 1.345 894 1HG LYS 114 1HG LYS 114 6.799 -14.851 0.736 895 2HG LYS 114 2HG LYS 114 5.902 -15.180 2.221 896 1HD LYS 114 1HD LYS 114 7.887 -16.096 3.276 897 2HD LYS 114 2HD LYS 114 8.792 -16.018 1.750 898 1HE LYS 114 1HE LYS 114 8.715 -13.567 1.798 899 2HE LYS 114 2HE LYS 114 7.733 -13.607 3.275 900 1HZ LYS 114 1HZ LYS 114 9.537 -14.638 4.433 901 2HZ LYS 114 2HZ LYS 114 10.452 -14.744 3.063 902 3HZ LYS 114 3HZ LYS 114 10.089 -13.269 3.731 903 H ASN 115 H ASN 115 7.688 -17.799 -2.289 904 HA ASN 115 HA ASN 115 6.388 -20.348 -2.815 905 1HB ASN 115 1HB ASN 115 8.021 -18.786 -4.328 906 2HB ASN 115 2HB ASN 115 9.246 -19.838 -3.624 907 1HD2 ASN 115 1HD2 ASN 115 6.063 -19.833 -5.252 908 2HD2 ASN 115 2HD2 ASN 115 6.352 -21.302 -6.180 909 H GLY 116 H GLY 116 9.148 -19.110 -0.899 910 1HA GLY 116 1HA GLY 116 8.997 -21.288 0.953 911 2HA GLY 116 2HA GLY 116 10.442 -21.343 -0.090 Start of MODEL 16 1 1H GLY 1 H GLY 1 3.966 -23.572 0.954 2 1HA GLY 1 1HA GLY 1 1.725 -22.595 0.865 3 2HA GLY 1 2HA GLY 1 2.574 -22.110 2.346 4 H HIS 2 H HIS 2 0.741 -20.364 1.929 5 HA HIS 2 HA HIS 2 2.225 -18.042 0.794 6 1HB HIS 2 1HB HIS 2 -0.767 -18.284 1.330 7 2HB HIS 2 2HB HIS 2 0.049 -16.826 0.963 8 HD1 HIS 2 1HD HIS 2 -0.325 -20.269 -0.920 9 HD2 HIS 2 2HD HIS 2 -0.240 -16.096 -1.377 10 HE1 HIS 2 1HE HIS 2 -0.647 -19.847 -3.386 11 H VAL 3 H VAL 3 2.279 -16.291 2.304 12 HA VAL 3 HA VAL 3 2.504 -17.249 5.126 13 HB VAL 3 HB VAL 3 3.685 -14.812 3.817 14 1HG1 VAL 3 1HG1 VAL 3 4.050 -15.880 6.623 15 2HG1 VAL 3 2HG1 VAL 3 5.075 -14.640 5.870 16 3HG1 VAL 3 3HG1 VAL 3 3.365 -14.307 6.113 17 1HG2 VAL 3 1HG2 VAL 3 4.780 -16.835 2.988 18 2HG2 VAL 3 2HG2 VAL 3 5.860 -15.962 4.079 19 3HG2 VAL 3 3HG2 VAL 3 5.017 -17.419 4.651 20 H GLN 4 H GLN 4 1.254 -16.405 6.628 21 HA GLN 4 HA GLN 4 -1.065 -14.818 5.777 22 1HB GLN 4 1HB GLN 4 -0.803 -16.791 7.669 23 2HB GLN 4 2HB GLN 4 -0.579 -15.346 8.672 24 1HG GLN 4 1HG GLN 4 -2.691 -14.425 7.514 25 2HG GLN 4 2HG GLN 4 -2.900 -16.062 6.872 26 1HE2 GLN 4 1HE2 GLN 4 -4.174 -14.167 9.223 27 2HE2 GLN 4 2HE2 GLN 4 -4.502 -15.395 10.414 28 H LEU 5 H LEU 5 -1.438 -12.661 6.328 29 HA LEU 5 HA LEU 5 0.354 -11.352 8.197 30 1HB LEU 5 1HB LEU 5 -0.117 -10.380 5.357 31 2HB LEU 5 2HB LEU 5 0.415 -9.310 6.650 32 HG LEU 5 HG LEU 5 1.992 -11.721 5.629 33 1HD1 LEU 5 1HD1 LEU 5 2.322 -8.696 5.299 34 2HD1 LEU 5 2HD1 LEU 5 3.510 -9.906 4.784 35 3HD1 LEU 5 3HD1 LEU 5 1.898 -9.861 4.013 36 1HD2 LEU 5 1HD2 LEU 5 3.841 -10.747 6.985 37 2HD2 LEU 5 2HD2 LEU 5 2.728 -9.553 7.662 38 3HD2 LEU 5 3HD2 LEU 5 2.524 -11.277 8.014 39 H SER 6 H SER 6 -0.532 -9.287 8.964 40 HA SER 6 HA SER 6 -3.384 -8.917 8.454 41 1HB SER 6 1HB SER 6 -2.021 -8.676 11.142 42 2HB SER 6 2HB SER 6 -3.724 -8.543 10.769 43 HG SER 6 HG SER 6 -3.046 -10.536 11.741 44 H LEU 7 H LEU 7 -4.003 -6.725 8.604 45 HA LEU 7 HA LEU 7 -1.816 -4.709 8.549 46 1HB LEU 7 1HB LEU 7 -4.091 -5.161 6.569 47 2HB LEU 7 2HB LEU 7 -3.007 -3.777 6.538 48 HG LEU 7 HG LEU 7 -1.998 -6.651 6.240 49 1HD1 LEU 7 1HD1 LEU 7 -2.834 -4.717 4.075 50 2HD1 LEU 7 2HD1 LEU 7 -1.982 -6.254 3.816 51 3HD1 LEU 7 3HD1 LEU 7 -3.625 -6.250 4.487 52 1HD2 LEU 7 1HD2 LEU 7 -0.792 -3.943 5.516 53 2HD2 LEU 7 2HD2 LEU 7 -0.276 -4.995 6.841 54 3HD2 LEU 7 3HD2 LEU 7 -0.054 -5.529 5.179 55 HA PRO 8 HA PRO 8 -5.163 -2.681 10.986 56 1HB PRO 8 1HB PRO 8 -4.024 -0.243 11.337 57 2HB PRO 8 2HB PRO 8 -3.427 -1.650 12.202 58 1HG PRO 8 1HG PRO 8 -2.314 -0.467 9.672 59 2HG PRO 8 2HG PRO 8 -1.434 -0.944 11.160 60 1HD PRO 8 1HD PRO 8 -1.600 -2.598 8.999 61 2HD PRO 8 2HD PRO 8 -1.593 -3.223 10.657 62 H VAL 9 H VAL 9 -6.875 -1.373 10.315 63 HA VAL 9 HA VAL 9 -6.765 -0.407 7.523 64 HB VAL 9 HB VAL 9 -9.165 -1.170 9.234 65 1HG1 VAL 9 1HG1 VAL 9 -9.726 0.546 7.527 66 2HG1 VAL 9 2HG1 VAL 9 -9.050 -0.488 6.261 67 3HG1 VAL 9 3HG1 VAL 9 -10.488 -1.001 7.176 68 1HG2 VAL 9 1HG2 VAL 9 -7.944 -2.635 6.845 69 2HG2 VAL 9 2HG2 VAL 9 -7.798 -3.154 8.527 70 3HG2 VAL 9 3HG2 VAL 9 -9.388 -3.131 7.764 71 H LEU 10 H LEU 10 -6.518 1.733 7.364 72 HA LEU 10 HA LEU 10 -7.172 3.504 9.694 73 1HB LEU 10 1HB LEU 10 -4.775 3.811 7.863 74 2HB LEU 10 2HB LEU 10 -5.092 4.683 9.315 75 HG LEU 10 HG LEU 10 -4.732 1.685 9.577 76 1HD1 LEU 10 1HD1 LEU 10 -2.392 3.568 9.155 77 2HD1 LEU 10 2HD1 LEU 10 -2.322 1.843 9.579 78 3HD1 LEU 10 3HD1 LEU 10 -2.930 2.337 8.001 79 1HD2 LEU 10 1HD2 LEU 10 -5.186 3.277 11.497 80 2HD2 LEU 10 2HD2 LEU 10 -3.743 2.255 11.684 81 3HD2 LEU 10 3HD2 LEU 10 -3.598 3.968 11.219 82 H GLN 11 H GLN 11 -8.342 5.341 9.091 83 HA GLN 11 HA GLN 11 -9.666 5.389 6.581 84 1HB GLN 11 1HB GLN 11 -9.312 7.637 8.635 85 2HB GLN 11 2HB GLN 11 -10.428 7.659 7.270 86 1HG GLN 11 1HG GLN 11 -11.468 5.565 8.296 87 2HG GLN 11 2HG GLN 11 -10.570 5.973 9.768 88 1HE2 GLN 11 1HE2 GLN 11 -13.210 6.926 7.579 89 2HE2 GLN 11 2HE2 GLN 11 -13.892 8.125 8.658 90 H VAL 12 H VAL 12 -9.676 6.977 4.862 91 HA VAL 12 HA VAL 12 -7.039 7.630 4.008 92 HB VAL 12 HB VAL 12 -8.736 7.054 2.425 93 1HG1 VAL 12 1HG1 VAL 12 -10.642 8.584 1.843 94 2HG1 VAL 12 2HG1 VAL 12 -10.820 7.736 3.388 95 3HG1 VAL 12 3HG1 VAL 12 -10.348 9.463 3.338 96 1HG2 VAL 12 1HG2 VAL 12 -7.069 8.784 1.599 97 2HG2 VAL 12 2HG2 VAL 12 -8.587 8.779 0.726 98 3HG2 VAL 12 3HG2 VAL 12 -8.259 10.032 1.944 99 H ARG 13 H ARG 13 -9.416 9.356 5.960 100 HA ARG 13 HA ARG 13 -8.168 11.941 5.590 101 1HB ARG 13 1HB ARG 13 -9.555 12.527 7.665 102 2HB ARG 13 2HB ARG 13 -10.419 12.122 6.191 103 1HG ARG 13 1HG ARG 13 -11.226 10.109 7.004 104 2HG ARG 13 2HG ARG 13 -9.902 9.886 8.130 105 1HD ARG 13 1HD ARG 13 -11.608 12.236 8.760 106 2HD ARG 13 2HD ARG 13 -12.435 10.674 8.808 107 HE ARG 13 HE ARG 13 -11.012 9.847 10.435 108 1HH1 ARG 13 2HH2 ARG 13 -10.560 13.399 10.099 109 2HH1 ARG 13 1HH2 ARG 13 -9.289 13.458 11.272 110 1HH2 ARG 13 2HH1 ARG 13 -9.207 9.960 11.827 111 2HH2 ARG 13 1HH1 ARG 13 -8.733 11.505 12.490 112 H ASP 14 H ASP 14 -7.677 9.208 7.735 113 HA ASP 14 HA ASP 14 -6.330 10.620 9.872 114 1HB ASP 14 1HB ASP 14 -7.095 7.814 9.139 115 2HB ASP 14 2HB ASP 14 -5.573 7.951 9.977 116 H VAL 15 H VAL 15 -5.505 8.709 7.070 117 HA VAL 15 HA VAL 15 -2.749 8.366 7.516 118 HB VAL 15 HB VAL 15 -4.543 7.862 5.164 119 1HG1 VAL 15 1HG1 VAL 15 -2.662 6.117 4.587 120 2HG1 VAL 15 2HG1 VAL 15 -2.327 7.814 4.229 121 3HG1 VAL 15 3HG1 VAL 15 -1.655 7.049 5.672 122 1HG2 VAL 15 1HG2 VAL 15 -4.940 5.717 5.949 123 2HG2 VAL 15 2HG2 VAL 15 -3.479 5.696 6.966 124 3HG2 VAL 15 3HG2 VAL 15 -4.889 6.596 7.468 125 H LEU 16 H LEU 16 -2.415 10.689 7.914 126 HA LEU 16 HA LEU 16 -2.067 12.767 6.127 127 1HB LEU 16 1HB LEU 16 -0.281 11.680 8.348 128 2HB LEU 16 2HB LEU 16 0.014 13.204 7.559 129 HG LEU 16 HG LEU 16 -2.440 12.498 9.222 130 1HD1 LEU 16 1HD1 LEU 16 -0.142 14.441 9.709 131 2HD1 LEU 16 2HD1 LEU 16 -1.547 14.206 10.765 132 3HD1 LEU 16 3HD1 LEU 16 -0.395 12.887 10.534 133 1HD2 LEU 16 1HD2 LEU 16 -3.178 14.009 7.480 134 2HD2 LEU 16 2HD2 LEU 16 -3.006 14.942 8.974 135 3HD2 LEU 16 3HD2 LEU 16 -1.753 15.047 7.715 136 H VAL 17 H VAL 17 -0.283 9.717 5.927 137 HA VAL 17 HA VAL 17 1.036 10.872 3.555 138 HB VAL 17 HB VAL 17 2.806 10.889 5.019 139 1HG1 VAL 17 1HG1 VAL 17 3.641 8.961 6.341 140 2HG1 VAL 17 2HG1 VAL 17 2.096 9.606 6.902 141 3HG1 VAL 17 3HG1 VAL 17 2.148 8.081 5.959 142 1HG2 VAL 17 1HG2 VAL 17 3.127 8.294 3.464 143 2HG2 VAL 17 2HG2 VAL 17 3.327 9.931 2.805 144 3HG2 VAL 17 3HG2 VAL 17 4.416 9.336 4.062 145 H ARG 18 H ARG 18 -0.442 10.097 2.149 146 HA ARG 18 HA ARG 18 -1.441 7.387 2.311 147 1HB ARG 18 1HB ARG 18 -1.739 9.167 -0.053 148 2HB ARG 18 2HB ARG 18 -2.710 7.841 0.553 149 1HG ARG 18 1HG ARG 18 -2.719 9.931 2.528 150 2HG ARG 18 2HG ARG 18 -3.019 10.643 0.960 151 1HD ARG 18 1HD ARG 18 -5.101 10.046 1.747 152 2HD ARG 18 2HD ARG 18 -4.709 8.826 0.542 153 HE ARG 18 HE ARG 18 -4.117 8.395 3.407 154 1HH1 ARG 18 2HH2 ARG 18 -6.017 7.256 0.650 155 2HH1 ARG 18 1HH2 ARG 18 -5.939 5.605 1.086 156 1HH2 ARG 18 2HH1 ARG 18 -4.377 6.217 4.169 157 2HH2 ARG 18 1HH1 ARG 18 -5.364 5.093 3.310 158 H GLY 19 H GLY 19 1.594 8.425 1.043 159 1HA GLY 19 1HA GLY 19 1.551 6.312 -1.045 160 2HA GLY 19 2HA GLY 19 2.101 7.909 -1.296 161 H PHE 20 H PHE 20 3.151 4.877 -0.299 162 HA PHE 20 HA PHE 20 5.261 5.432 1.483 163 1HB PHE 20 1HB PHE 20 5.152 3.462 -0.829 164 2HB PHE 20 2HB PHE 20 6.421 3.539 0.386 165 HD1 PHE 20 1HD PHE 20 3.098 2.277 -0.346 166 HD2 PHE 20 2HD PHE 20 6.012 2.999 2.727 167 HE1 PHE 20 1HE PHE 20 1.832 0.815 1.156 168 HE2 PHE 20 2HE PHE 20 4.775 1.424 4.230 169 HZ PHE 20 HZ PHE 20 2.699 0.326 3.462 170 H GLY 21 H GLY 21 5.063 6.267 -1.934 171 1HA GLY 21 1HA GLY 21 7.477 7.822 -1.911 172 2HA GLY 21 2HA GLY 21 7.623 6.349 -2.902 173 H ASP 22 H ASP 22 7.786 8.456 -4.417 174 HA ASP 22 HA ASP 22 5.104 9.310 -5.235 175 1HB ASP 22 1HB ASP 22 6.136 11.121 -6.387 176 2HB ASP 22 2HB ASP 22 6.847 10.999 -4.800 177 H SER 23 H SER 23 7.035 6.814 -6.296 178 HA SER 23 HA SER 23 5.723 6.956 -8.954 179 1HB SER 23 1HB SER 23 8.658 6.363 -8.464 180 2HB SER 23 2HB SER 23 7.824 6.091 -10.000 181 HG SER 23 HG SER 23 8.129 8.602 -8.626 182 H VAL 24 H VAL 24 5.761 4.852 -10.119 183 HA VAL 24 HA VAL 24 4.153 3.123 -8.551 184 HB VAL 24 HB VAL 24 5.422 2.920 -11.303 185 1HG1 VAL 24 1HG1 VAL 24 5.112 0.586 -10.743 186 2HG1 VAL 24 2HG1 VAL 24 3.452 0.917 -10.165 187 3HG1 VAL 24 3HG1 VAL 24 3.864 1.092 -11.875 188 1HG2 VAL 24 1HG2 VAL 24 3.695 4.579 -10.879 189 2HG2 VAL 24 2HG2 VAL 24 3.068 3.296 -11.943 190 3HG2 VAL 24 3HG2 VAL 24 2.650 3.298 -10.193 191 H GLU 25 H GLU 25 7.507 2.746 -9.754 192 HA GLU 25 HA GLU 25 7.572 0.198 -8.457 193 1HB GLU 25 1HB GLU 25 9.483 1.909 -9.970 194 2HB GLU 25 2HB GLU 25 10.167 0.613 -8.956 195 1HG GLU 25 1HG GLU 25 8.667 -1.027 -10.050 196 2HG GLU 25 2HG GLU 25 7.979 0.253 -11.059 197 H GLU 26 H GLU 26 8.526 3.487 -7.574 198 HA GLU 26 HA GLU 26 10.127 3.024 -5.309 199 1HB GLU 26 1HB GLU 26 8.146 5.284 -5.774 200 2HB GLU 26 2HB GLU 26 9.368 5.238 -4.508 201 1HG GLU 26 1HG GLU 26 10.070 5.054 -7.463 202 2HG GLU 26 2HG GLU 26 9.957 6.546 -6.544 203 H ALA 27 H ALA 27 6.645 3.762 -5.412 204 HA ALA 27 HA ALA 27 6.248 3.452 -2.647 205 1HB ALA 27 1HB ALA 27 4.772 4.724 -4.197 206 2HB ALA 27 2HB ALA 27 4.207 3.201 -4.901 207 3HB ALA 27 3HB ALA 27 3.861 3.579 -3.195 208 H LEU 28 H LEU 28 5.736 0.922 -5.365 209 HA LEU 28 HA LEU 28 4.819 -1.043 -3.793 210 1HB LEU 28 1HB LEU 28 5.057 -0.637 -6.348 211 2HB LEU 28 2HB LEU 28 6.712 -1.209 -6.199 212 HG LEU 28 HG LEU 28 5.048 -2.893 -4.729 213 1HD1 LEU 28 1HD1 LEU 28 3.833 -2.488 -7.395 214 2HD1 LEU 28 2HD1 LEU 28 3.536 -3.902 -6.346 215 3HD1 LEU 28 3HD1 LEU 28 3.129 -2.265 -5.761 216 1HD2 LEU 28 1HD2 LEU 28 5.759 -4.705 -6.280 217 2HD2 LEU 28 2HD2 LEU 28 6.172 -3.482 -7.495 218 3HD2 LEU 28 3HD2 LEU 28 7.132 -3.615 -5.986 219 H SER 29 H SER 29 8.149 -0.063 -4.547 220 HA SER 29 HA SER 29 9.370 -2.379 -3.427 221 1HB SER 29 1HB SER 29 10.246 0.042 -4.718 222 2HB SER 29 2HB SER 29 11.063 0.008 -3.186 223 HG SER 29 HG SER 29 11.878 -1.158 -5.237 224 H GLU 30 H GLU 30 8.929 0.943 -2.141 225 HA GLU 30 HA GLU 30 10.023 0.580 0.479 226 1HB GLU 30 1HB GLU 30 7.747 2.267 -0.629 227 2HB GLU 30 2HB GLU 30 8.503 2.550 0.930 228 1HG GLU 30 1HG GLU 30 10.451 2.648 -1.284 229 2HG GLU 30 2HG GLU 30 9.026 3.684 -1.532 230 H ALA 31 H ALA 31 6.666 0.217 -0.795 231 HA ALA 31 HA ALA 31 5.343 -0.791 1.482 232 1HB ALA 31 1HB ALA 31 5.152 -1.369 -1.482 233 2HB ALA 31 2HB ALA 31 4.130 -2.202 -0.331 234 3HB ALA 31 3HB ALA 31 4.083 -0.417 -0.488 235 H ARG 32 H ARG 32 7.141 -2.799 -0.951 236 HA ARG 32 HA ARG 32 6.863 -5.154 0.628 237 1HB ARG 32 1HB ARG 32 7.848 -4.485 -1.904 238 2HB ARG 32 2HB ARG 32 9.306 -5.014 -1.080 239 1HG ARG 32 1HG ARG 32 8.439 -7.207 -0.729 240 2HG ARG 32 2HG ARG 32 6.770 -6.668 -0.929 241 1HD ARG 32 1HD ARG 32 7.584 -6.030 -3.392 242 2HD ARG 32 2HD ARG 32 8.817 -7.228 -3.042 243 HE ARG 32 HE ARG 32 6.096 -7.670 -3.757 244 1HH1 ARG 32 2HH2 ARG 32 8.752 -9.185 -1.987 245 2HH1 ARG 32 1HH2 ARG 32 7.869 -10.619 -1.583 246 1HH2 ARG 32 2HH1 ARG 32 4.970 -9.725 -3.473 247 2HH2 ARG 32 1HH1 ARG 32 5.789 -10.990 -2.693 248 H GLU 33 H GLU 33 9.136 -2.505 1.064 249 HA GLU 33 HA GLU 33 10.766 -4.044 2.876 250 1HB GLU 33 1HB GLU 33 12.014 -2.426 1.860 251 2HB GLU 33 2HB GLU 33 10.676 -1.352 1.587 252 1HG GLU 33 1HG GLU 33 10.758 -0.390 3.658 253 2HG GLU 33 2HG GLU 33 11.639 -1.705 4.382 254 H HIS 34 H HIS 34 7.850 -1.937 3.092 255 HA HIS 34 HA HIS 34 8.237 -1.346 5.912 256 1HB HIS 34 1HB HIS 34 6.322 -0.509 3.752 257 2HB HIS 34 2HB HIS 34 5.785 -0.459 5.429 258 HD1 HIS 34 1HD HIS 34 9.059 0.924 3.647 259 HD2 HIS 34 2HD HIS 34 6.008 1.910 6.416 260 HE1 HIS 34 1HE HIS 34 9.630 3.160 4.591 261 H LEU 35 H LEU 35 6.557 -3.558 3.783 262 HA LEU 35 HA LEU 35 4.855 -4.824 5.668 263 1HB LEU 35 1HB LEU 35 6.223 -5.677 3.086 264 2HB LEU 35 2HB LEU 35 5.545 -6.913 4.143 265 HG LEU 35 HG LEU 35 3.476 -5.248 4.205 266 1HD1 LEU 35 1HD1 LEU 35 2.904 -4.303 2.092 267 2HD1 LEU 35 2HD1 LEU 35 4.201 -3.500 2.964 268 3HD1 LEU 35 3HD1 LEU 35 4.574 -4.540 1.545 269 1HD2 LEU 35 1HD2 LEU 35 3.472 -7.643 3.378 270 2HD2 LEU 35 2HD2 LEU 35 2.429 -6.605 2.389 271 3HD2 LEU 35 3HD2 LEU 35 4.046 -7.058 1.799 272 H LYS 36 H LYS 36 8.324 -5.507 4.888 273 HA LYS 36 HA LYS 36 8.591 -7.541 6.857 274 1HB LYS 36 1HB LYS 36 10.051 -6.635 4.732 275 2HB LYS 36 2HB LYS 36 10.958 -5.861 6.021 276 1HG LYS 36 1HG LYS 36 10.242 -8.832 6.088 277 2HG LYS 36 2HG LYS 36 11.575 -8.241 5.115 278 1HD LYS 36 1HD LYS 36 11.374 -7.678 8.101 279 2HD LYS 36 2HD LYS 36 12.146 -9.130 7.470 280 1HE LYS 36 1HE LYS 36 12.990 -6.369 6.519 281 2HE LYS 36 2HE LYS 36 13.622 -7.058 8.014 282 1HZ LYS 36 1HZ LYS 36 13.903 -8.389 5.378 283 2HZ LYS 36 2HZ LYS 36 15.065 -7.511 6.202 284 3HZ LYS 36 3HZ LYS 36 14.503 -8.895 6.816 285 H ASN 37 H ASN 37 9.115 -4.008 6.911 286 HA ASN 37 HA ASN 37 9.979 -3.862 9.661 287 1HB ASN 37 1HB ASN 37 8.687 -1.844 7.831 288 2HB ASN 37 2HB ASN 37 9.306 -1.436 9.410 289 1HD2 ASN 37 1HD2 ASN 37 10.216 -0.192 6.997 290 2HD2 ASN 37 2HD2 ASN 37 11.876 -0.711 6.742 291 H GLY 38 H GLY 38 6.837 -4.393 8.303 292 1HA GLY 38 1HA GLY 38 4.818 -4.732 9.116 293 2HA GLY 38 2HA GLY 38 5.432 -4.633 10.797 294 H THR 39 H THR 39 6.069 -1.991 8.527 295 HA THR 39 HA THR 39 4.270 -0.192 10.011 296 HB THR 39 HB THR 39 5.812 1.490 8.722 297 HG1 THR 39 1HG THR 39 7.817 0.590 8.188 298 1HG2 THR 39 1HG2 THR 39 5.994 1.191 11.123 299 2HG2 THR 39 2HG2 THR 39 6.863 -0.330 10.918 300 3HG2 THR 39 3HG2 THR 39 7.617 1.203 10.433 301 H CYS 40 H CYS 40 2.905 -1.966 8.286 302 HA CYS 40 HA CYS 40 2.118 -0.132 6.062 303 1HB CYS 40 1HB CYS 40 3.480 -1.761 5.048 304 2HB CYS 40 2HB CYS 40 2.762 -3.094 5.972 305 HG CYS 40 HG CYS 40 2.172 -2.582 3.194 306 H GLY 41 H GLY 41 -0.033 0.120 5.771 307 1HA GLY 41 1HA GLY 41 -1.994 -1.451 7.322 308 2HA GLY 41 2HA GLY 41 -2.052 0.287 7.295 309 H LEU 42 H LEU 42 -4.303 -0.780 6.414 310 HA LEU 42 HA LEU 42 -4.229 -1.042 3.444 311 1HB LEU 42 1HB LEU 42 -4.510 -3.275 4.571 312 2HB LEU 42 2HB LEU 42 -5.894 -2.627 5.459 313 HG LEU 42 HG LEU 42 -7.003 -2.182 3.143 314 1HD1 LEU 42 1HD1 LEU 42 -4.744 -4.022 2.279 315 2HD1 LEU 42 2HD1 LEU 42 -6.158 -3.577 1.287 316 3HD1 LEU 42 3HD1 LEU 42 -4.979 -2.351 1.750 317 1HD2 LEU 42 1HD2 LEU 42 -6.500 -5.056 3.885 318 2HD2 LEU 42 2HD2 LEU 42 -7.749 -3.976 4.572 319 3HD2 LEU 42 3HD2 LEU 42 -7.816 -4.389 2.866 320 H VAL 43 H VAL 43 -5.696 0.029 2.353 321 HA VAL 43 HA VAL 43 -7.849 1.485 3.764 322 HB VAL 43 HB VAL 43 -6.390 2.035 1.158 323 1HG1 VAL 43 1HG1 VAL 43 -8.433 3.668 2.761 324 2HG1 VAL 43 2HG1 VAL 43 -7.512 4.304 1.386 325 3HG1 VAL 43 3HG1 VAL 43 -8.643 2.981 1.133 326 1HG2 VAL 43 1HG2 VAL 43 -4.924 2.318 3.179 327 2HG2 VAL 43 2HG2 VAL 43 -5.189 3.763 2.274 328 3HG2 VAL 43 3HG2 VAL 43 -6.096 3.497 3.811 329 H GLU 44 H GLU 44 -9.893 0.857 3.285 330 HA GLU 44 HA GLU 44 -10.608 -1.084 1.277 331 1HB GLU 44 1HB GLU 44 -12.263 1.046 2.699 332 2HB GLU 44 2HB GLU 44 -12.916 -0.275 1.721 333 1HG GLU 44 1HG GLU 44 -12.176 -1.930 3.319 334 2HG GLU 44 2HG GLU 44 -11.264 -0.743 4.253 335 H LEU 45 H LEU 45 -10.839 -0.695 -0.877 336 HA LEU 45 HA LEU 45 -10.424 2.008 -1.906 337 1HB LEU 45 1HB LEU 45 -10.861 -0.745 -3.087 338 2HB LEU 45 2HB LEU 45 -11.180 0.629 -4.130 339 HG LEU 45 HG LEU 45 -8.572 0.512 -2.592 340 1HD1 LEU 45 1HD1 LEU 45 -8.786 -1.625 -3.742 341 2HD1 LEU 45 2HD1 LEU 45 -9.174 -0.809 -5.258 342 3HD1 LEU 45 3HD1 LEU 45 -7.565 -0.636 -4.545 343 1HD2 LEU 45 1HD2 LEU 45 -9.291 1.721 -5.303 344 2HD2 LEU 45 2HD2 LEU 45 -9.324 2.636 -3.788 345 3HD2 LEU 45 3HD2 LEU 45 -7.797 1.969 -4.385 346 H GLU 46 H GLU 46 -11.788 3.506 -2.524 347 HA GLU 46 HA GLU 46 -14.617 2.918 -2.819 348 1HB GLU 46 1HB GLU 46 -13.126 3.876 -0.558 349 2HB GLU 46 2HB GLU 46 -14.006 5.260 -1.200 350 1HG GLU 46 1HG GLU 46 -15.250 2.544 -0.614 351 2HG GLU 46 2HG GLU 46 -15.084 3.878 0.519 352 H LYS 47 H LYS 47 -15.771 5.091 -3.214 353 HA LYS 47 HA LYS 47 -15.078 5.895 -5.822 354 1HB LYS 47 1HB LYS 47 -17.388 5.762 -4.628 355 2HB LYS 47 2HB LYS 47 -17.035 7.346 -3.986 356 1HG LYS 47 1HG LYS 47 -18.055 8.124 -5.836 357 2HG LYS 47 2HG LYS 47 -16.545 7.764 -6.679 358 1HD LYS 47 1HD LYS 47 -17.454 5.497 -7.231 359 2HD LYS 47 2HD LYS 47 -18.961 5.910 -6.415 360 1HE LYS 47 1HE LYS 47 -17.858 7.391 -8.834 361 2HE LYS 47 2HE LYS 47 -19.016 6.064 -8.921 362 1HZ LYS 47 1HZ LYS 47 -19.487 8.717 -7.714 363 2HZ LYS 47 2HZ LYS 47 -20.218 8.071 -9.017 364 3HZ LYS 47 3HZ LYS 47 -20.515 7.434 -7.534 365 H GLY 48 H GLY 48 -15.350 8.036 -2.910 366 1HA GLY 48 1HA GLY 48 -13.660 10.054 -4.182 367 2HA GLY 48 2HA GLY 48 -14.600 10.185 -2.681 368 H VAL 49 H VAL 49 -12.340 7.518 -3.450 369 HA VAL 49 HA VAL 49 -10.575 8.511 -1.249 370 HB VAL 49 HB VAL 49 -11.324 5.776 -2.302 371 1HG1 VAL 49 1HG1 VAL 49 -8.968 5.477 -2.243 372 2HG1 VAL 49 2HG1 VAL 49 -8.824 6.332 -0.676 373 3HG1 VAL 49 3HG1 VAL 49 -9.611 4.741 -0.784 374 1HG2 VAL 49 1HG2 VAL 49 -11.025 6.874 0.526 375 2HG2 VAL 49 2HG2 VAL 49 -12.555 6.778 -0.351 376 3HG2 VAL 49 3HG2 VAL 49 -11.664 5.298 0.091 377 H LEU 50 H LEU 50 -10.313 6.748 -4.366 378 HA LEU 50 HA LEU 50 -7.625 7.221 -4.987 379 1HB LEU 50 1HB LEU 50 -10.151 6.924 -6.587 380 2HB LEU 50 2HB LEU 50 -8.625 7.291 -7.402 381 HG LEU 50 HG LEU 50 -9.518 4.753 -6.112 382 1HD1 LEU 50 1HD1 LEU 50 -8.534 3.763 -8.111 383 2HD1 LEU 50 2HD1 LEU 50 -9.544 5.137 -8.588 384 3HD1 LEU 50 3HD1 LEU 50 -7.775 5.302 -8.551 385 1HD2 LEU 50 1HD2 LEU 50 -6.585 5.525 -6.240 386 2HD2 LEU 50 2HD2 LEU 50 -7.516 4.988 -4.821 387 3HD2 LEU 50 3HD2 LEU 50 -7.166 3.854 -6.128 388 HA PRO 51 HA PRO 51 -8.442 11.332 -7.087 389 1HB PRO 51 1HB PRO 51 -10.623 12.915 -6.530 390 2HB PRO 51 2HB PRO 51 -10.600 11.649 -7.794 391 1HG PRO 51 1HG PRO 51 -11.652 11.453 -4.967 392 2HG PRO 51 2HG PRO 51 -12.450 10.928 -6.489 393 1HD PRO 51 1HD PRO 51 -11.117 9.234 -4.876 394 2HD PRO 51 2HD PRO 51 -11.086 9.001 -6.631 395 H GLN 52 H GLN 52 -8.433 10.644 -3.827 396 HA GLN 52 HA GLN 52 -7.387 13.317 -3.042 397 1HB GLN 52 1HB GLN 52 -8.508 11.279 -1.103 398 2HB GLN 52 2HB GLN 52 -8.248 13.011 -0.893 399 1HG GLN 52 1HG GLN 52 -10.145 13.308 -2.632 400 2HG GLN 52 2HG GLN 52 -10.471 11.585 -2.371 401 1HE2 GLN 52 1HE2 GLN 52 -11.268 10.901 -0.336 402 2HE2 GLN 52 2HE2 GLN 52 -11.573 11.950 1.018 403 H LEU 53 H LEU 53 -6.498 10.259 -3.828 404 HA LEU 53 HA LEU 53 -4.337 9.787 -1.815 405 1HB LEU 53 1HB LEU 53 -5.600 8.297 -4.137 406 2HB LEU 53 2HB LEU 53 -3.965 7.915 -3.584 407 HG LEU 53 HG LEU 53 -5.984 8.191 -1.503 408 1HD1 LEU 53 1HD1 LEU 53 -5.878 5.664 -3.165 409 2HD1 LEU 53 2HD1 LEU 53 -6.703 5.879 -1.592 410 3HD1 LEU 53 3HD1 LEU 53 -7.247 6.785 -2.980 411 1HD2 LEU 53 1HD2 LEU 53 -3.502 7.731 -1.323 412 2HD2 LEU 53 2HD2 LEU 53 -4.473 6.580 -0.442 413 3HD2 LEU 53 3HD2 LEU 53 -3.812 6.143 -1.999 414 H GLU 54 H GLU 54 -2.303 9.198 -2.999 415 HA GLU 54 HA GLU 54 -1.248 11.529 -4.349 416 1HB GLU 54 1HB GLU 54 0.720 9.572 -4.346 417 2HB GLU 54 2HB GLU 54 0.543 11.072 -3.459 418 1HG GLU 54 1HG GLU 54 0.903 9.465 -2.001 419 2HG GLU 54 2HG GLU 54 -0.791 9.751 -1.750 420 H GLN 55 H GLN 55 -0.383 8.356 -5.492 421 HA GLN 55 HA GLN 55 -1.900 8.512 -7.944 422 1HB GLN 55 1HB GLN 55 0.794 9.820 -7.774 423 2HB GLN 55 2HB GLN 55 0.429 8.817 -9.205 424 1HG GLN 55 1HG GLN 55 -1.859 10.382 -9.008 425 2HG GLN 55 2HG GLN 55 -0.650 11.471 -8.332 426 1HE2 GLN 55 1HE2 GLN 55 -0.738 9.108 -11.001 427 2HE2 GLN 55 2HE2 GLN 55 -0.184 10.227 -12.253 428 HA PRO 56 HA PRO 56 0.851 4.827 -8.479 429 1HB PRO 56 1HB PRO 56 3.075 4.244 -6.991 430 2HB PRO 56 2HB PRO 56 3.073 5.261 -8.464 431 1HG PRO 56 1HG PRO 56 3.193 6.154 -5.599 432 2HG PRO 56 2HG PRO 56 4.014 6.789 -7.027 433 1HD PRO 56 1HD PRO 56 1.762 7.967 -6.035 434 2HD PRO 56 2HD PRO 56 2.240 8.040 -7.743 435 H TYR 57 H TYR 57 -1.185 4.406 -7.516 436 HA TYR 57 HA TYR 57 -1.503 3.973 -4.733 437 1HB TYR 57 1HB TYR 57 -3.289 2.837 -6.902 438 2HB TYR 57 2HB TYR 57 -3.740 3.206 -5.252 439 HD1 TYR 57 1HD TYR 57 -3.027 5.966 -4.750 440 HD2 TYR 57 2HD TYR 57 -4.396 4.153 -8.423 441 HE1 TYR 57 1HE TYR 57 -3.877 8.168 -5.566 442 HE2 TYR 57 2HE TYR 57 -5.159 6.348 -9.242 443 HH TYR 57 HH TYR 57 -4.337 9.354 -7.534 444 H VAL 58 H VAL 58 -0.428 2.367 -3.688 445 HA VAL 58 HA VAL 58 0.367 -0.047 -5.018 446 HB VAL 58 HB VAL 58 0.598 0.635 -2.062 447 1HG1 VAL 58 1HG1 VAL 58 0.889 -1.769 -2.562 448 2HG1 VAL 58 2HG1 VAL 58 2.031 -1.373 -3.863 449 3HG1 VAL 58 3HG1 VAL 58 2.453 -1.034 -2.168 450 1HG2 VAL 58 1HG2 VAL 58 2.568 1.054 -4.364 451 2HG2 VAL 58 2HG2 VAL 58 1.769 2.324 -3.423 452 3HG2 VAL 58 3HG2 VAL 58 2.928 1.263 -2.632 453 H PHE 59 H PHE 59 -1.386 -1.256 -5.638 454 HA PHE 59 HA PHE 59 -3.681 -1.809 -3.861 455 1HB PHE 59 1HB PHE 59 -2.888 -2.816 -6.617 456 2HB PHE 59 2HB PHE 59 -4.434 -3.077 -5.863 457 HD1 PHE 59 1HD PHE 59 -5.507 -0.753 -5.013 458 HD2 PHE 59 2HD PHE 59 -2.860 -1.249 -8.349 459 HE1 PHE 59 1HE PHE 59 -6.399 1.348 -6.003 460 HE2 PHE 59 2HE PHE 59 -3.806 0.787 -9.393 461 HZ PHE 59 HZ PHE 59 -5.587 2.096 -8.243 462 H ILE 60 H ILE 60 -4.502 -3.834 -3.582 463 HA ILE 60 HA ILE 60 -2.537 -6.034 -3.640 464 HB ILE 60 HB ILE 60 -3.405 -6.954 -1.687 465 1HG1 ILE 60 1HG1 ILE 60 -5.094 -4.510 -1.117 466 2HG1 ILE 60 2HG1 ILE 60 -5.728 -6.049 -1.694 467 1HG2 ILE 60 1HG2 ILE 60 -2.655 -4.107 -1.162 468 2HG2 ILE 60 2HG2 ILE 60 -2.341 -5.506 -0.100 469 3HG2 ILE 60 3HG2 ILE 60 -1.514 -5.395 -1.659 470 1HD1 ILE 60 1HD1 ILE 60 -5.094 -7.220 0.277 471 2HD1 ILE 60 2HD1 ILE 60 -4.270 -5.783 0.937 472 3HD1 ILE 60 3HD1 ILE 60 -6.036 -5.797 0.716 473 H LYS 61 H LYS 61 -3.122 -7.521 -5.039 474 HA LYS 61 HA LYS 61 -6.030 -7.912 -5.575 475 1HB LYS 61 1HB LYS 61 -5.161 -8.485 -7.982 476 2HB LYS 61 2HB LYS 61 -5.201 -6.809 -7.503 477 1HG LYS 61 1HG LYS 61 -3.085 -6.557 -7.861 478 2HG LYS 61 2HG LYS 61 -2.588 -7.883 -6.810 479 1HD LYS 61 1HD LYS 61 -1.632 -8.290 -8.981 480 2HD LYS 61 2HD LYS 61 -2.844 -9.526 -8.641 481 1HE LYS 61 1HE LYS 61 -4.375 -8.298 -10.150 482 2HE LYS 61 2HE LYS 61 -3.148 -7.005 -10.250 483 1HZ LYS 61 1HZ LYS 61 -2.668 -9.816 -11.087 484 2HZ LYS 61 2HZ LYS 61 -3.140 -8.707 -12.161 485 3HZ LYS 61 3HZ LYS 61 -1.687 -8.558 -11.407 486 H ARG 62 H ARG 62 -6.726 -9.974 -6.100 487 HA ARG 62 HA ARG 62 -5.635 -11.735 -4.163 488 1HB ARG 62 1HB ARG 62 -7.548 -13.326 -5.014 489 2HB ARG 62 2HB ARG 62 -7.821 -11.921 -4.021 490 1HG ARG 62 1HG ARG 62 -8.746 -10.722 -5.608 491 2HG ARG 62 2HG ARG 62 -8.036 -11.530 -7.024 492 1HD ARG 62 1HD ARG 62 -9.503 -13.277 -6.984 493 2HD ARG 62 2HD ARG 62 -9.807 -13.182 -5.251 494 HE ARG 62 HE ARG 62 -11.001 -10.919 -6.131 495 1HH1 ARG 62 2HH2 ARG 62 -11.261 -14.301 -7.237 496 2HH1 ARG 62 1HH2 ARG 62 -12.931 -14.133 -7.717 497 1HH2 ARG 62 2HH1 ARG 62 -13.258 -10.867 -6.371 498 2HH2 ARG 62 1HH1 ARG 62 -14.130 -12.174 -7.114 499 H SER 63 H SER 63 -3.896 -11.564 -6.406 500 HA SER 63 HA SER 63 -2.306 -12.788 -7.457 501 1HB SER 63 1HB SER 63 -2.323 -14.181 -5.272 502 2HB SER 63 2HB SER 63 -3.311 -15.341 -6.184 503 HG SER 63 HG SER 63 -1.269 -15.992 -6.421 504 H ASP 64 H ASP 64 -2.080 -14.651 -8.979 505 HA ASP 64 HA ASP 64 -4.245 -14.125 -10.961 506 1HB ASP 64 1HB ASP 64 -1.218 -13.913 -11.368 507 2HB ASP 64 2HB ASP 64 -2.533 -13.204 -12.347 508 H ALA 65 H ALA 65 -2.115 -16.493 -9.750 509 HA ALA 65 HA ALA 65 -2.286 -18.213 -12.158 510 1HB ALA 65 1HB ALA 65 -0.026 -17.814 -11.269 511 2HB ALA 65 2HB ALA 65 -0.553 -18.424 -9.679 512 3HB ALA 65 3HB ALA 65 -0.500 -19.512 -11.083 513 H LEU 66 H LEU 66 -4.645 -17.771 -11.001 514 HA LEU 66 HA LEU 66 -5.386 -20.328 -9.719 515 1HB LEU 66 1HB LEU 66 -5.782 -17.585 -8.435 516 2HB LEU 66 2HB LEU 66 -6.762 -18.981 -7.992 517 HG LEU 66 HG LEU 66 -3.720 -19.008 -7.739 518 1HD1 LEU 66 1HD1 LEU 66 -4.050 -18.419 -5.389 519 2HD1 LEU 66 2HD1 LEU 66 -4.574 -17.129 -6.491 520 3HD1 LEU 66 3HD1 LEU 66 -5.781 -18.159 -5.703 521 1HD2 LEU 66 1HD2 LEU 66 -4.859 -21.229 -7.668 522 2HD2 LEU 66 2HD2 LEU 66 -4.168 -20.795 -6.105 523 3HD2 LEU 66 3HD2 LEU 66 -5.916 -20.629 -6.361 524 H SER 67 H SER 67 -6.762 -17.055 -10.277 525 HA SER 67 HA SER 67 -8.804 -16.402 -10.665 526 1HB SER 67 1HB SER 67 -7.989 -17.087 -13.022 527 2HB SER 67 2HB SER 67 -9.105 -18.447 -12.869 528 HG SER 67 HG SER 67 -10.069 -16.608 -13.847 529 H THR 68 H THR 68 -9.433 -17.133 -8.561 530 HA THR 68 HA THR 68 -10.661 -18.235 -7.049 531 HB THR 68 HB THR 68 -12.156 -16.763 -8.097 532 HG1 THR 68 1HG THR 68 -13.132 -17.973 -6.549 533 1HG2 THR 68 1HG2 THR 68 -13.811 -17.359 -9.805 534 2HG2 THR 68 2HG2 THR 68 -12.184 -17.369 -10.440 535 3HG2 THR 68 3HG2 THR 68 -12.983 -18.915 -10.051 536 H ASN 69 H ASN 69 -8.863 -20.000 -8.052 537 HA ASN 69 HA ASN 69 -10.094 -22.536 -8.672 538 1HB ASN 69 1HB ASN 69 -7.760 -21.933 -9.330 539 2HB ASN 69 2HB ASN 69 -7.259 -22.115 -7.640 540 1HD2 ASN 69 1HD2 ASN 69 -6.678 -24.380 -7.000 541 2HD2 ASN 69 2HD2 ASN 69 -7.173 -25.691 -8.011 542 H HIS 70 H HIS 70 -8.237 -21.578 -5.723 543 HA HIS 70 HA HIS 70 -10.168 -22.526 -3.875 544 1HB HIS 70 1HB HIS 70 -8.959 -24.422 -2.920 545 2HB HIS 70 2HB HIS 70 -9.471 -24.740 -4.557 546 HD1 HIS 70 1HD HIS 70 -7.544 -26.716 -3.943 547 HD2 HIS 70 2HD HIS 70 -6.311 -22.819 -4.991 548 HE1 HIS 70 1HE HIS 70 -5.136 -26.912 -4.762 549 H GLY 71 H GLY 71 -8.926 -22.680 -1.573 550 1HA GLY 71 1HA GLY 71 -7.139 -22.139 -0.213 551 2HA GLY 71 2HA GLY 71 -6.439 -21.118 -1.464 552 H HIS 72 H HIS 72 -6.187 -19.949 0.714 553 HA HIS 72 HA HIS 72 -8.373 -18.424 1.845 554 1HB HIS 72 1HB HIS 72 -5.331 -18.130 1.865 555 2HB HIS 72 2HB HIS 72 -6.404 -17.040 2.718 556 HD1 HIS 72 1HD HIS 72 -5.035 -20.639 3.040 557 HD2 HIS 72 2HD HIS 72 -7.571 -17.841 4.953 558 HE1 HIS 72 1HE HIS 72 -5.614 -21.603 5.291 559 H LYS 73 H LYS 73 -8.464 -16.043 1.688 560 HA LYS 73 HA LYS 73 -8.105 -15.083 -1.066 561 1HB LYS 73 1HB LYS 73 -9.235 -13.645 1.370 562 2HB LYS 73 2HB LYS 73 -9.171 -13.027 -0.300 563 1HG LYS 73 1HG LYS 73 -10.287 -15.422 -0.820 564 2HG LYS 73 2HG LYS 73 -10.821 -15.282 0.852 565 1HD LYS 73 1HD LYS 73 -11.320 -13.231 -1.332 566 2HD LYS 73 2HD LYS 73 -12.407 -14.564 -0.966 567 1HE LYS 73 1HE LYS 73 -12.524 -13.661 1.425 568 2HE LYS 73 2HE LYS 73 -11.682 -12.217 0.840 569 1HZ LYS 73 1HZ LYS 73 -14.305 -13.261 -0.041 570 2HZ LYS 73 2HZ LYS 73 -14.031 -11.857 0.766 571 3HZ LYS 73 3HZ LYS 73 -13.564 -12.034 -0.817 572 H VAL 74 H VAL 74 -5.899 -15.657 -0.916 573 HA VAL 74 HA VAL 74 -3.934 -13.998 0.367 574 HB VAL 74 HB VAL 74 -2.375 -15.100 -0.999 575 1HG1 VAL 74 1HG1 VAL 74 -3.783 -16.849 0.323 576 2HG1 VAL 74 2HG1 VAL 74 -4.593 -17.179 -1.211 577 3HG1 VAL 74 3HG1 VAL 74 -2.865 -17.456 -1.056 578 1HG2 VAL 74 1HG2 VAL 74 -2.883 -16.216 -3.146 579 2HG2 VAL 74 2HG2 VAL 74 -4.536 -15.527 -3.066 580 3HG2 VAL 74 3HG2 VAL 74 -3.110 -14.461 -3.155 581 H VAL 75 H VAL 75 -2.537 -12.448 -0.908 582 HA VAL 75 HA VAL 75 -3.683 -11.408 -3.353 583 HB VAL 75 HB VAL 75 -3.298 -9.033 -2.596 584 1HG1 VAL 75 1HG1 VAL 75 -5.579 -10.010 -2.820 585 2HG1 VAL 75 2HG1 VAL 75 -5.537 -10.354 -1.076 586 3HG1 VAL 75 3HG1 VAL 75 -5.415 -8.677 -1.680 587 1HG2 VAL 75 1HG2 VAL 75 -1.978 -9.446 -0.587 588 2HG2 VAL 75 2HG2 VAL 75 -3.453 -8.553 -0.169 589 3HG2 VAL 75 3HG2 VAL 75 -3.363 -10.271 0.187 590 H GLU 76 H GLU 76 -1.978 -9.504 -3.965 591 HA GLU 76 HA GLU 76 0.645 -9.983 -3.015 592 1HB GLU 76 1HB GLU 76 -0.161 -10.960 -5.666 593 2HB GLU 76 2HB GLU 76 1.083 -9.727 -5.804 594 1HG GLU 76 1HG GLU 76 1.354 -11.977 -3.795 595 2HG GLU 76 2HG GLU 76 1.730 -12.227 -5.483 596 H LEU 77 H LEU 77 2.018 -8.257 -3.974 597 HA LEU 77 HA LEU 77 0.734 -5.635 -3.701 598 1HB LEU 77 1HB LEU 77 3.548 -6.737 -4.024 599 2HB LEU 77 2HB LEU 77 3.268 -5.026 -4.265 600 HG LEU 77 HG LEU 77 2.205 -6.308 -1.742 601 1HD1 LEU 77 1HD1 LEU 77 5.057 -5.375 -2.155 602 2HD1 LEU 77 2HD1 LEU 77 4.317 -5.771 -0.604 603 3HD1 LEU 77 3HD1 LEU 77 4.519 -7.034 -1.814 604 1HD2 LEU 77 1HD2 LEU 77 1.588 -3.982 -2.309 605 2HD2 LEU 77 2HD2 LEU 77 2.618 -4.045 -0.848 606 3HD2 LEU 77 3HD2 LEU 77 3.322 -3.540 -2.415 607 H VAL 78 H VAL 78 0.225 -4.273 -5.348 608 HA VAL 78 HA VAL 78 1.684 -4.420 -7.872 609 HB VAL 78 HB VAL 78 -1.353 -4.188 -7.732 610 1HG1 VAL 78 1HG1 VAL 78 -1.427 -4.213 -10.101 611 2HG1 VAL 78 2HG1 VAL 78 -0.630 -2.766 -9.544 612 3HG1 VAL 78 3HG1 VAL 78 0.357 -4.103 -10.201 613 1HG2 VAL 78 1HG2 VAL 78 0.415 -6.299 -8.974 614 2HG2 VAL 78 2HG2 VAL 78 -0.662 -6.512 -7.570 615 3HG2 VAL 78 3HG2 VAL 78 -1.331 -6.161 -9.189 616 H ALA 79 H ALA 79 1.482 -2.314 -8.866 617 HA ALA 79 HA ALA 79 0.408 -0.076 -7.260 618 1HB ALA 79 1HB ALA 79 2.508 1.257 -7.582 619 2HB ALA 79 2HB ALA 79 2.789 -0.179 -6.553 620 3HB ALA 79 3HB ALA 79 3.299 -0.171 -8.240 621 H GLU 80 H GLU 80 -0.393 1.571 -8.642 622 HA GLU 80 HA GLU 80 0.530 1.625 -11.396 623 1HB GLU 80 1HB GLU 80 -2.175 0.642 -10.799 624 2HB GLU 80 2HB GLU 80 -2.157 2.033 -11.889 625 1HG GLU 80 1HG GLU 80 -0.611 -0.531 -12.326 626 2HG GLU 80 2HG GLU 80 -2.150 -0.065 -13.061 627 H MET 81 H MET 81 0.589 3.583 -12.235 628 HA MET 81 HA MET 81 0.917 5.747 -10.509 629 1HB MET 81 1HB MET 81 2.215 5.757 -12.423 630 2HB MET 81 2HB MET 81 0.912 5.209 -13.483 631 1HG MET 81 1HG MET 81 -0.116 7.323 -13.559 632 2HG MET 81 2HG MET 81 0.920 7.945 -12.252 633 1HE MET 81 1HE MET 81 3.821 7.385 -12.773 634 2HE MET 81 2HE MET 81 4.224 8.858 -13.678 635 3HE MET 81 3HE MET 81 3.053 8.930 -12.351 636 H ASP 82 H ASP 82 -1.903 4.846 -12.380 637 HA ASP 82 HA ASP 82 -3.384 7.241 -11.351 638 1HB ASP 82 1HB ASP 82 -2.559 6.901 -14.006 639 2HB ASP 82 2HB ASP 82 -4.216 6.297 -14.030 640 H GLY 83 H GLY 83 -3.070 4.225 -10.792 641 1HA GLY 83 1HA GLY 83 -4.109 2.263 -10.826 642 2HA GLY 83 2HA GLY 83 -5.589 3.151 -10.343 643 H ILE 84 H ILE 84 -3.643 3.007 -13.385 644 HA ILE 84 HA ILE 84 -5.427 3.129 -15.371 645 HB ILE 84 HB ILE 84 -2.890 1.591 -14.882 646 1HG1 ILE 84 1HG1 ILE 84 -2.083 2.959 -16.831 647 2HG1 ILE 84 2HG1 ILE 84 -3.653 3.776 -16.854 648 1HG2 ILE 84 1HG2 ILE 84 -3.850 -0.049 -16.277 649 2HG2 ILE 84 2HG2 ILE 84 -4.417 1.169 -17.454 650 3HG2 ILE 84 3HG2 ILE 84 -2.688 0.842 -17.223 651 1HD1 ILE 84 1HD1 ILE 84 -1.588 3.760 -14.601 652 2HD1 ILE 84 2HD1 ILE 84 -1.980 5.111 -15.682 653 3HD1 ILE 84 3HD1 ILE 84 -3.173 4.530 -14.514 654 H GLN 85 H GLN 85 -4.756 0.261 -13.443 655 HA GLN 85 HA GLN 85 -7.279 -1.037 -14.121 656 1HB GLN 85 1HB GLN 85 -4.480 -2.219 -14.460 657 2HB GLN 85 2HB GLN 85 -5.884 -3.239 -14.200 658 1HG GLN 85 1HG GLN 85 -5.621 -1.321 -16.545 659 2HG GLN 85 2HG GLN 85 -5.241 -3.042 -16.585 660 1HE2 GLN 85 1HE2 GLN 85 -7.868 -0.642 -16.553 661 2HE2 GLN 85 2HE2 GLN 85 -9.158 -1.795 -16.656 662 H TYR 86 H TYR 86 -7.080 -3.132 -12.563 663 HA TYR 86 HA TYR 86 -6.854 -4.101 -10.616 664 1HB TYR 86 1HB TYR 86 -4.944 -1.967 -9.682 665 2HB TYR 86 2HB TYR 86 -5.134 -3.579 -9.036 666 HD1 TYR 86 1HD TYR 86 -4.536 -5.551 -10.517 667 HD2 TYR 86 2HD TYR 86 -3.436 -1.504 -11.458 668 HE1 TYR 86 1HE TYR 86 -2.685 -6.382 -12.027 669 HE2 TYR 86 2HE TYR 86 -1.839 -2.314 -13.164 670 HH TYR 86 HH TYR 86 -1.291 -4.127 -14.408 671 H GLY 87 H GLY 87 -6.713 -0.619 -9.661 672 1HA GLY 87 1HA GLY 87 -7.951 -0.938 -7.213 673 2HA GLY 87 2HA GLY 87 -8.003 0.558 -8.153 674 H ARG 88 H ARG 88 -9.533 -0.205 -10.312 675 HA ARG 88 HA ARG 88 -12.225 -0.461 -9.126 676 1HB ARG 88 1HB ARG 88 -11.358 1.346 -10.748 677 2HB ARG 88 2HB ARG 88 -11.462 0.119 -12.012 678 1HG ARG 88 1HG ARG 88 -13.867 -0.020 -11.771 679 2HG ARG 88 2HG ARG 88 -13.826 0.845 -10.214 680 1HD ARG 88 1HD ARG 88 -13.073 2.855 -11.190 681 2HD ARG 88 2HD ARG 88 -12.759 2.094 -12.773 682 HE ARG 88 HE ARG 88 -15.379 1.662 -12.536 683 1HH1 ARG 88 2HH2 ARG 88 -13.361 4.569 -12.319 684 2HH1 ARG 88 1HH2 ARG 88 -14.566 5.643 -12.904 685 1HH2 ARG 88 2HH1 ARG 88 -17.002 3.040 -13.369 686 2HH2 ARG 88 1HH1 ARG 88 -16.678 4.699 -13.629 687 H SER 89 H SER 89 -13.470 -2.224 -9.509 688 HA SER 89 HA SER 89 -14.138 -4.332 -10.272 689 1HB SER 89 1HB SER 89 -12.413 -4.522 -12.110 690 2HB SER 89 2HB SER 89 -11.216 -4.993 -10.870 691 HG SER 89 HG SER 89 -12.388 -6.801 -11.939 692 H GLY 90 H GLY 90 -13.393 -6.503 -9.197 693 1HA GLY 90 1HA GLY 90 -12.603 -5.988 -6.351 694 2HA GLY 90 2HA GLY 90 -13.843 -7.123 -6.883 695 H ILE 91 H ILE 91 -11.185 -7.200 -9.015 696 HA ILE 91 HA ILE 91 -9.857 -9.550 -7.941 697 HB ILE 91 HB ILE 91 -9.497 -9.114 -10.166 698 1HG1 ILE 91 1HG1 ILE 91 -6.944 -8.084 -9.051 699 2HG1 ILE 91 2HG1 ILE 91 -7.465 -9.780 -8.845 700 1HG2 ILE 91 1HG2 ILE 91 -8.694 -7.115 -11.241 701 2HG2 ILE 91 2HG2 ILE 91 -9.977 -6.578 -10.183 702 3HG2 ILE 91 3HG2 ILE 91 -8.278 -6.366 -9.693 703 1HD1 ILE 91 1HD1 ILE 91 -5.955 -9.683 -10.741 704 2HD1 ILE 91 2HD1 ILE 91 -7.584 -9.959 -11.371 705 3HD1 ILE 91 3HD1 ILE 91 -6.833 -8.346 -11.468 706 H THR 92 H THR 92 -9.498 -5.987 -7.659 707 HA THR 92 HA THR 92 -7.323 -6.342 -5.826 708 HB THR 92 HB THR 92 -8.840 -3.892 -6.770 709 HG1 THR 92 1HG THR 92 -7.666 -4.161 -8.376 710 1HG2 THR 92 1HG2 THR 92 -7.691 -3.341 -4.666 711 2HG2 THR 92 2HG2 THR 92 -6.205 -4.077 -5.269 712 3HG2 THR 92 3HG2 THR 92 -6.849 -2.616 -6.045 713 H LEU 93 H LEU 93 -7.507 -5.710 -3.557 714 HA LEU 93 HA LEU 93 -10.282 -5.838 -2.426 715 1HB LEU 93 1HB LEU 93 -7.802 -6.324 -0.830 716 2HB LEU 93 2HB LEU 93 -9.464 -6.766 -0.492 717 HG LEU 93 HG LEU 93 -7.635 -7.991 -2.608 718 1HD1 LEU 93 1HD1 LEU 93 -7.820 -9.983 -1.215 719 2HD1 LEU 93 2HD1 LEU 93 -7.147 -8.623 -0.293 720 3HD1 LEU 93 3HD1 LEU 93 -8.856 -9.090 -0.055 721 1HD2 LEU 93 1HD2 LEU 93 -10.455 -8.915 -1.915 722 2HD2 LEU 93 2HD2 LEU 93 -10.058 -8.008 -3.378 723 3HD2 LEU 93 3HD2 LEU 93 -9.329 -9.579 -3.136 724 H GLY 94 H GLY 94 -7.095 -4.089 -2.156 725 1HA GLY 94 1HA GLY 94 -8.412 -1.621 -1.332 726 2HA GLY 94 2HA GLY 94 -7.535 -2.436 -0.037 727 H VAL 95 H VAL 95 -6.321 -0.338 -0.258 728 HA VAL 95 HA VAL 95 -3.935 -0.764 -1.949 729 HB VAL 95 HB VAL 95 -5.438 1.808 -1.426 730 1HG1 VAL 95 1HG1 VAL 95 -3.060 2.389 -1.001 731 2HG1 VAL 95 2HG1 VAL 95 -2.618 1.601 -2.531 732 3HG1 VAL 95 3HG1 VAL 95 -3.602 3.073 -2.533 733 1HG2 VAL 95 1HG2 VAL 95 -6.044 0.609 -3.434 734 2HG2 VAL 95 2HG2 VAL 95 -5.400 2.224 -3.739 735 3HG2 VAL 95 3HG2 VAL 95 -4.349 0.824 -3.993 736 H LEU 96 H LEU 96 -2.018 -0.060 -0.916 737 HA LEU 96 HA LEU 96 -2.206 -0.311 2.031 738 1HB LEU 96 1HB LEU 96 0.036 -0.922 0.079 739 2HB LEU 96 2HB LEU 96 0.156 -1.068 1.826 740 HG LEU 96 HG LEU 96 -1.769 -2.605 0.075 741 1HD1 LEU 96 1HD1 LEU 96 0.536 -3.241 -0.363 742 2HD1 LEU 96 2HD1 LEU 96 0.816 -3.530 1.375 743 3HD1 LEU 96 3HD1 LEU 96 -0.289 -4.564 0.469 744 1HD2 LEU 96 1HD2 LEU 96 -2.648 -2.440 2.355 745 2HD2 LEU 96 2HD2 LEU 96 -2.144 -4.093 1.977 746 3HD2 LEU 96 3HD2 LEU 96 -1.123 -3.061 3.004 747 H VAL 97 H VAL 97 -0.792 0.860 3.301 748 HA VAL 97 HA VAL 97 0.561 3.261 2.225 749 HB VAL 97 HB VAL 97 -0.693 4.623 3.990 750 1HG1 VAL 97 1HG1 VAL 97 -1.042 4.683 1.505 751 2HG1 VAL 97 2HG1 VAL 97 -2.448 3.627 1.717 752 3HG1 VAL 97 3HG1 VAL 97 -2.415 5.238 2.454 753 1HG2 VAL 97 1HG2 VAL 97 -2.879 3.884 4.761 754 2HG2 VAL 97 2HG2 VAL 97 -2.734 2.342 3.890 755 3HG2 VAL 97 3HG2 VAL 97 -1.687 2.684 5.263 756 HA PRO 98 HA PRO 98 3.116 2.246 5.651 757 1HB PRO 98 1HB PRO 98 4.205 4.712 6.388 758 2HB PRO 98 2HB PRO 98 4.792 3.646 5.094 759 1HG PRO 98 1HG PRO 98 3.194 6.119 4.888 760 2HG PRO 98 2HG PRO 98 4.284 5.403 3.683 761 1HD PRO 98 1HD PRO 98 1.467 5.310 3.664 762 2HD PRO 98 2HD PRO 98 2.553 4.291 2.682 763 H HIS 99 H HIS 99 2.364 1.670 7.547 764 HA HIS 99 HA HIS 99 0.341 3.240 9.017 765 1HB HIS 99 1HB HIS 99 0.081 0.820 9.075 766 2HB HIS 99 2HB HIS 99 1.717 0.592 9.663 767 HD1 HIS 99 1HD HIS 99 1.233 -0.340 12.140 768 HD2 HIS 99 2HD HIS 99 -0.894 3.170 11.097 769 HE1 HIS 99 1HE HIS 99 -0.084 0.370 14.175 770 H VAL 100 H VAL 100 0.908 4.726 10.445 771 HA VAL 100 HA VAL 100 3.675 4.935 11.490 772 HB VAL 100 HB VAL 100 3.300 7.408 11.263 773 1HG1 VAL 100 1HG1 VAL 100 3.746 7.454 8.832 774 2HG1 VAL 100 2HG1 VAL 100 4.660 6.182 9.648 775 3HG1 VAL 100 3HG1 VAL 100 3.219 5.775 8.688 776 1HG2 VAL 100 1HG2 VAL 100 0.799 7.368 11.088 777 2HG2 VAL 100 2HG2 VAL 100 1.561 8.233 9.757 778 3HG2 VAL 100 3HG2 VAL 100 0.940 6.603 9.485 779 H GLY 101 H GLY 101 1.753 3.461 12.831 780 1HA GLY 101 1HA GLY 101 0.521 3.262 14.766 781 2HA GLY 101 2HA GLY 101 1.740 4.370 15.401 782 H GLU 102 H GLU 102 -1.066 4.640 13.189 783 HA GLU 102 HA GLU 102 -1.700 7.236 14.476 784 1HB GLU 102 1HB GLU 102 -1.471 7.040 12.017 785 2HB GLU 102 2HB GLU 102 -2.831 5.929 11.973 786 1HG GLU 102 1HG GLU 102 -3.607 8.120 11.360 787 2HG GLU 102 2HG GLU 102 -4.280 7.734 12.945 788 H THR 103 H THR 103 -4.422 5.420 13.152 789 HA THR 103 HA THR 103 -5.426 4.559 15.783 790 HB THR 103 HB THR 103 -6.429 7.029 14.305 791 HG1 THR 103 1HG THR 103 -4.725 6.672 16.267 792 1HG2 THR 103 1HG2 THR 103 -8.082 7.158 16.193 793 2HG2 THR 103 2HG2 THR 103 -8.421 5.894 15.012 794 3HG2 THR 103 3HG2 THR 103 -7.705 5.456 16.576 795 HA PRO 104 HA PRO 104 -6.968 2.301 12.082 796 1HB PRO 104 1HB PRO 104 -7.132 -0.198 13.415 797 2HB PRO 104 2HB PRO 104 -5.856 0.364 12.307 798 1HG PRO 104 1HG PRO 104 -5.764 0.096 15.248 799 2HG PRO 104 2HG PRO 104 -4.417 0.301 14.093 800 1HD PRO 104 1HD PRO 104 -5.565 2.268 15.844 801 2HD PRO 104 2HD PRO 104 -4.314 2.542 14.596 802 H ILE 105 H ILE 105 -9.037 1.584 11.607 803 HA ILE 105 HA ILE 105 -11.055 1.757 13.793 804 HB ILE 105 HB ILE 105 -12.707 1.550 11.940 805 1HG1 ILE 105 1HG1 ILE 105 -10.872 0.784 10.199 806 2HG1 ILE 105 2HG1 ILE 105 -12.301 1.680 9.751 807 1HG2 ILE 105 1HG2 ILE 105 -12.619 3.954 11.387 808 2HG2 ILE 105 2HG2 ILE 105 -12.311 3.641 13.094 809 3HG2 ILE 105 3HG2 ILE 105 -10.961 4.041 12.030 810 1HD1 ILE 105 1HD1 ILE 105 -11.109 3.713 9.485 811 2HD1 ILE 105 2HD1 ILE 105 -9.638 3.070 10.224 812 3HD1 ILE 105 3HD1 ILE 105 -10.188 2.473 8.641 813 H ALA 106 H ALA 106 -9.551 -0.485 11.476 814 HA ALA 106 HA ALA 106 -10.558 -2.785 12.988 815 1HB ALA 106 1HB ALA 106 -11.021 -2.487 9.976 816 2HB ALA 106 2HB ALA 106 -11.464 -3.884 10.988 817 3HB ALA 106 3HB ALA 106 -12.285 -2.333 11.208 818 H TYR 107 H TYR 107 -9.614 -4.770 11.516 819 HA TYR 107 HA TYR 107 -6.992 -4.102 10.378 820 1HB TYR 107 1HB TYR 107 -7.455 -6.120 12.599 821 2HB TYR 107 2HB TYR 107 -6.214 -6.383 11.388 822 HD1 TYR 107 1HD TYR 107 -4.055 -5.555 11.698 823 HD2 TYR 107 2HD TYR 107 -7.332 -3.697 13.835 824 HE1 TYR 107 1HE TYR 107 -2.454 -4.203 12.959 825 HE2 TYR 107 2HE TYR 107 -5.708 -2.299 15.066 826 HH TYR 107 HH TYR 107 -2.177 -2.705 14.686 827 H ARG 108 H ARG 108 -6.426 -5.704 8.751 828 HA ARG 108 HA ARG 108 -8.616 -7.561 7.911 829 1HB ARG 108 1HB ARG 108 -8.316 -5.430 6.535 830 2HB ARG 108 2HB ARG 108 -6.750 -6.061 6.053 831 1HG ARG 108 1HG ARG 108 -8.177 -6.686 4.303 832 2HG ARG 108 2HG ARG 108 -8.078 -8.167 5.239 833 1HD ARG 108 1HD ARG 108 -10.246 -7.815 6.195 834 2HD ARG 108 2HD ARG 108 -10.289 -6.126 5.715 835 HE ARG 108 HE ARG 108 -11.144 -8.374 4.182 836 1HH1 ARG 108 2HH2 ARG 108 -10.041 -4.968 3.853 837 2HH1 ARG 108 1HH2 ARG 108 -10.627 -4.888 2.221 838 1HH2 ARG 108 2HH1 ARG 108 -12.122 -7.965 2.178 839 2HH2 ARG 108 1HH1 ARG 108 -11.723 -6.510 1.283 840 H ASN 109 H ASN 109 -7.818 -9.663 7.867 841 HA ASN 109 HA ASN 109 -4.880 -10.061 7.785 842 1HB ASN 109 1HB ASN 109 -5.823 -12.583 7.847 843 2HB ASN 109 2HB ASN 109 -5.240 -11.661 9.222 844 1HD2 ASN 109 1HD2 ASN 109 -6.475 -12.337 10.939 845 2HD2 ASN 109 2HD2 ASN 109 -8.215 -12.442 10.907 846 H VAL 110 H VAL 110 -3.994 -11.270 6.106 847 HA VAL 110 HA VAL 110 -5.510 -12.060 3.741 848 HB VAL 110 HB VAL 110 -3.817 -10.748 2.335 849 1HG1 VAL 110 1HG1 VAL 110 -6.184 -10.107 2.385 850 2HG1 VAL 110 2HG1 VAL 110 -5.875 -9.049 3.795 851 3HG1 VAL 110 3HG1 VAL 110 -5.117 -8.700 2.226 852 1HG2 VAL 110 1HG2 VAL 110 -2.293 -10.061 4.207 853 2HG2 VAL 110 2HG2 VAL 110 -2.825 -8.722 3.191 854 3HG2 VAL 110 3HG2 VAL 110 -3.545 -8.955 4.785 855 H LEU 111 H LEU 111 -3.800 -13.227 2.176 856 HA LEU 111 HA LEU 111 -1.492 -14.219 3.773 857 1HB LEU 111 1HB LEU 111 -3.531 -15.366 1.907 858 2HB LEU 111 2HB LEU 111 -1.895 -15.936 1.632 859 HG LEU 111 HG LEU 111 -3.330 -17.405 2.821 860 1HD1 LEU 111 1HD1 LEU 111 -1.625 -18.275 3.953 861 2HD1 LEU 111 2HD1 LEU 111 -0.729 -16.802 3.568 862 3HD1 LEU 111 3HD1 LEU 111 -1.593 -16.961 5.109 863 1HD2 LEU 111 1HD2 LEU 111 -4.201 -16.974 5.074 864 2HD2 LEU 111 2HD2 LEU 111 -3.574 -15.313 4.981 865 3HD2 LEU 111 3HD2 LEU 111 -4.834 -15.842 3.875 866 H LEU 112 H LEU 112 0.412 -14.538 2.346 867 HA LEU 112 HA LEU 112 0.660 -12.620 0.091 868 1HB LEU 112 1HB LEU 112 1.825 -12.471 2.656 869 2HB LEU 112 2HB LEU 112 3.043 -13.330 1.750 870 HG LEU 112 HG LEU 112 1.931 -10.565 1.204 871 1HD1 LEU 112 1HD1 LEU 112 3.782 -11.124 2.937 872 2HD1 LEU 112 2HD1 LEU 112 4.817 -11.416 1.540 873 3HD1 LEU 112 3HD1 LEU 112 4.062 -9.813 1.782 874 1HD2 LEU 112 1HD2 LEU 112 2.216 -11.471 -1.046 875 2HD2 LEU 112 2HD2 LEU 112 3.543 -10.381 -0.695 876 3HD2 LEU 112 3HD2 LEU 112 3.819 -12.129 -0.616 877 H ARG 113 H ARG 113 1.823 -13.429 -1.712 878 HA ARG 113 HA ARG 113 2.111 -16.253 -1.987 879 1HB ARG 113 1HB ARG 113 1.701 -14.242 -3.647 880 2HB ARG 113 2HB ARG 113 3.458 -14.105 -3.672 881 1HG ARG 113 1HG ARG 113 3.665 -15.872 -5.045 882 2HG ARG 113 2HG ARG 113 2.507 -16.868 -4.126 883 1HD ARG 113 1HD ARG 113 0.632 -15.659 -5.127 884 2HD ARG 113 2HD ARG 113 1.711 -14.618 -6.028 885 HE ARG 113 HE ARG 113 1.046 -17.437 -6.551 886 1HH1 ARG 113 2HH2 ARG 113 3.415 -14.878 -7.450 887 2HH1 ARG 113 1HH2 ARG 113 3.462 -15.365 -9.097 888 1HH2 ARG 113 2HH1 ARG 113 1.270 -18.138 -8.629 889 2HH2 ARG 113 1HH1 ARG 113 2.443 -17.451 -9.688 890 H LYS 114 H LYS 114 4.096 -17.487 -2.258 891 HA LYS 114 HA LYS 114 6.572 -16.219 -1.408 892 1HB LYS 114 1HB LYS 114 5.002 -17.623 0.537 893 2HB LYS 114 2HB LYS 114 6.260 -18.773 0.050 894 1HG LYS 114 1HG LYS 114 7.847 -16.665 0.245 895 2HG LYS 114 2HG LYS 114 6.511 -16.002 1.209 896 1HD LYS 114 1HD LYS 114 6.751 -18.075 2.693 897 2HD LYS 114 2HD LYS 114 8.171 -18.492 1.738 898 1HE LYS 114 1HE LYS 114 7.785 -15.885 3.274 899 2HE LYS 114 2HE LYS 114 8.773 -17.271 3.816 900 1HZ LYS 114 1HZ LYS 114 10.101 -16.951 1.752 901 2HZ LYS 114 2HZ LYS 114 9.271 -15.588 1.424 902 3HZ LYS 114 3HZ LYS 114 10.181 -15.642 2.775 903 H ASN 115 H ASN 115 8.435 -17.906 -1.465 904 HA ASN 115 HA ASN 115 7.970 -19.658 -3.830 905 1HB ASN 115 1HB ASN 115 10.386 -17.952 -3.208 906 2HB ASN 115 2HB ASN 115 10.255 -19.068 -4.564 907 1HD2 ASN 115 1HD2 ASN 115 8.076 -18.662 -5.956 908 2HD2 ASN 115 2HD2 ASN 115 7.709 -16.947 -6.139 909 H GLY 116 H GLY 116 9.264 -19.676 -0.536 910 1HA GLY 116 1HA GLY 116 10.225 -22.433 -0.989 911 2HA GLY 116 2HA GLY 116 11.240 -21.214 -0.195 Start of MODEL 17 1 1H GLY 1 H GLY 1 4.250 -23.384 1.880 2 1HA GLY 1 1HA GLY 1 1.925 -23.322 1.078 3 2HA GLY 1 2HA GLY 1 1.454 -22.894 2.736 4 H HIS 2 H HIS 2 0.671 -20.791 2.370 5 HA HIS 2 HA HIS 2 2.614 -18.745 1.386 6 1HB HIS 2 1HB HIS 2 -0.404 -18.693 1.828 7 2HB HIS 2 2HB HIS 2 0.557 -17.274 1.560 8 HD1 HIS 2 1HD HIS 2 0.281 -20.674 -0.340 9 HD2 HIS 2 2HD HIS 2 0.267 -16.502 -0.824 10 HE1 HIS 2 1HE HIS 2 0.020 -20.255 -2.839 11 H VAL 3 H VAL 3 2.519 -16.740 2.897 12 HA VAL 3 HA VAL 3 2.122 -17.540 5.757 13 HB VAL 3 HB VAL 3 3.934 -15.585 4.425 14 1HG1 VAL 3 1HG1 VAL 3 2.876 -14.125 5.981 15 2HG1 VAL 3 2HG1 VAL 3 3.116 -15.301 7.311 16 3HG1 VAL 3 3HG1 VAL 3 4.505 -14.530 6.513 17 1HG2 VAL 3 1HG2 VAL 3 5.596 -16.644 5.896 18 2HG2 VAL 3 2HG2 VAL 3 4.317 -17.549 6.737 19 3HG2 VAL 3 3HG2 VAL 3 4.689 -17.888 5.033 20 H GLN 4 H GLN 4 0.849 -16.158 6.977 21 HA GLN 4 HA GLN 4 -1.119 -14.588 5.515 22 1HB GLN 4 1HB GLN 4 -1.673 -16.718 7.074 23 2HB GLN 4 2HB GLN 4 -1.461 -15.516 8.375 24 1HG GLN 4 1HG GLN 4 -3.014 -14.027 7.106 25 2HG GLN 4 2HG GLN 4 -3.209 -15.317 5.908 26 1HE2 GLN 4 1HE2 GLN 4 -5.611 -14.796 6.578 27 2HE2 GLN 4 2HE2 GLN 4 -6.222 -15.777 7.902 28 H LEU 5 H LEU 5 -1.486 -12.531 6.217 29 HA LEU 5 HA LEU 5 0.171 -11.484 8.348 30 1HB LEU 5 1HB LEU 5 -0.083 -10.228 5.596 31 2HB LEU 5 2HB LEU 5 0.627 -9.408 6.977 32 HG LEU 5 HG LEU 5 1.753 -11.984 5.762 33 1HD1 LEU 5 1HD1 LEU 5 3.486 -10.521 4.792 34 2HD1 LEU 5 2HD1 LEU 5 1.874 -10.149 4.143 35 3HD1 LEU 5 3HD1 LEU 5 2.617 -9.089 5.359 36 1HD2 LEU 5 1HD2 LEU 5 2.469 -11.726 8.078 37 2HD2 LEU 5 2HD2 LEU 5 3.814 -11.270 7.014 38 3HD2 LEU 5 3HD2 LEU 5 2.858 -10.018 7.820 39 H SER 6 H SER 6 -0.696 -9.490 9.266 40 HA SER 6 HA SER 6 -3.616 -9.167 8.918 41 1HB SER 6 1HB SER 6 -3.251 -9.094 11.539 42 2HB SER 6 2HB SER 6 -3.586 -10.593 10.682 43 HG SER 6 HG SER 6 -1.397 -9.743 12.089 44 H LEU 7 H LEU 7 -3.904 -6.987 8.466 45 HA LEU 7 HA LEU 7 -1.830 -5.092 9.471 46 1HB LEU 7 1HB LEU 7 -2.994 -5.484 6.706 47 2HB LEU 7 2HB LEU 7 -2.213 -3.984 7.160 48 HG LEU 7 HG LEU 7 -0.732 -6.582 7.660 49 1HD1 LEU 7 1HD1 LEU 7 0.209 -6.677 5.509 50 2HD1 LEU 7 2HD1 LEU 7 -1.546 -6.633 5.276 51 3HD1 LEU 7 3HD1 LEU 7 -0.581 -5.165 4.996 52 1HD2 LEU 7 1HD2 LEU 7 0.165 -3.768 6.899 53 2HD2 LEU 7 2HD2 LEU 7 0.198 -4.453 8.536 54 3HD2 LEU 7 3HD2 LEU 7 1.233 -5.126 7.274 55 HA PRO 8 HA PRO 8 -5.224 -2.778 10.975 56 1HB PRO 8 1HB PRO 8 -4.145 -0.240 11.112 57 2HB PRO 8 2HB PRO 8 -3.684 -1.572 12.182 58 1HG PRO 8 1HG PRO 8 -2.297 -0.538 9.705 59 2HG PRO 8 2HG PRO 8 -1.571 -0.982 11.284 60 1HD PRO 8 1HD PRO 8 -1.570 -2.705 9.155 61 2HD PRO 8 2HD PRO 8 -1.692 -3.245 10.829 62 H VAL 9 H VAL 9 -7.063 -1.928 10.074 63 HA VAL 9 HA VAL 9 -7.026 -0.838 7.334 64 HB VAL 9 HB VAL 9 -9.392 -1.250 9.222 65 1HG1 VAL 9 1HG1 VAL 9 -10.742 -1.039 7.156 66 2HG1 VAL 9 2HG1 VAL 9 -9.777 0.417 7.398 67 3HG1 VAL 9 3HG1 VAL 9 -9.260 -0.776 6.202 68 1HG2 VAL 9 1HG2 VAL 9 -9.940 -3.221 7.848 69 2HG2 VAL 9 2HG2 VAL 9 -8.420 -3.001 6.942 70 3HG2 VAL 9 3HG2 VAL 9 -8.385 -3.431 8.663 71 H LEU 10 H LEU 10 -6.847 1.327 7.081 72 HA LEU 10 HA LEU 10 -7.260 3.167 9.388 73 1HB LEU 10 1HB LEU 10 -5.114 3.174 7.230 74 2HB LEU 10 2HB LEU 10 -5.336 4.456 8.416 75 HG LEU 10 HG LEU 10 -4.782 1.584 9.284 76 1HD1 LEU 10 1HD1 LEU 10 -2.978 2.375 7.727 77 2HD1 LEU 10 2HD1 LEU 10 -2.674 3.701 8.861 78 3HD1 LEU 10 3HD1 LEU 10 -2.444 2.016 9.380 79 1HD2 LEU 10 1HD2 LEU 10 -4.008 2.590 11.344 80 2HD2 LEU 10 2HD2 LEU 10 -4.152 4.228 10.663 81 3HD2 LEU 10 3HD2 LEU 10 -5.601 3.273 10.969 82 H GLN 11 H GLN 11 -8.102 5.226 8.762 83 HA GLN 11 HA GLN 11 -9.822 5.132 6.378 84 1HB GLN 11 1HB GLN 11 -9.603 6.642 8.967 85 2HB GLN 11 2HB GLN 11 -10.192 7.576 7.610 86 1HG GLN 11 1HG GLN 11 -11.403 4.878 7.914 87 2HG GLN 11 2HG GLN 11 -11.743 6.051 9.197 88 1HE2 GLN 11 1HE2 GLN 11 -13.964 6.280 8.613 89 2HE2 GLN 11 2HE2 GLN 11 -14.468 6.965 7.083 90 H VAL 12 H VAL 12 -9.522 6.364 4.513 91 HA VAL 12 HA VAL 12 -6.951 7.409 3.932 92 HB VAL 12 HB VAL 12 -8.629 6.528 2.299 93 1HG1 VAL 12 1HG1 VAL 12 -10.654 7.720 3.136 94 2HG1 VAL 12 2HG1 VAL 12 -9.977 9.255 2.600 95 3HG1 VAL 12 3HG1 VAL 12 -10.351 8.006 1.399 96 1HG2 VAL 12 1HG2 VAL 12 -7.920 7.876 0.485 97 2HG2 VAL 12 2HG2 VAL 12 -7.784 9.322 1.495 98 3HG2 VAL 12 3HG2 VAL 12 -6.612 8.008 1.686 99 H ARG 13 H ARG 13 -9.619 8.835 5.644 100 HA ARG 13 HA ARG 13 -8.833 11.540 4.980 101 1HB ARG 13 1HB ARG 13 -10.398 12.214 6.768 102 2HB ARG 13 2HB ARG 13 -11.163 11.163 5.567 103 1HG ARG 13 1HG ARG 13 -11.498 9.452 7.039 104 2HG ARG 13 2HG ARG 13 -9.995 9.766 7.907 105 1HD ARG 13 1HD ARG 13 -11.263 11.938 8.721 106 2HD ARG 13 2HD ARG 13 -12.692 10.941 8.335 107 HE ARG 13 HE ARG 13 -10.503 9.652 9.834 108 1HH1 ARG 13 2HH2 ARG 13 -13.095 11.713 10.766 109 2HH1 ARG 13 1HH2 ARG 13 -13.694 10.715 12.049 110 1HH2 ARG 13 2HH1 ARG 13 -10.810 8.612 11.530 111 2HH2 ARG 13 1HH1 ARG 13 -12.168 8.816 12.613 112 H ASP 14 H ASP 14 -7.786 9.126 7.247 113 HA ASP 14 HA ASP 14 -6.454 11.066 9.024 114 1HB ASP 14 1HB ASP 14 -7.160 8.113 9.195 115 2HB ASP 14 2HB ASP 14 -5.998 8.858 10.283 116 H VAL 15 H VAL 15 -5.833 8.620 6.558 117 HA VAL 15 HA VAL 15 -3.071 8.302 7.108 118 HB VAL 15 HB VAL 15 -4.316 7.785 4.377 119 1HG1 VAL 15 1HG1 VAL 15 -2.618 6.030 4.404 120 2HG1 VAL 15 2HG1 VAL 15 -1.926 7.621 4.676 121 3HG1 VAL 15 3HG1 VAL 15 -2.129 6.521 6.055 122 1HG2 VAL 15 1HG2 VAL 15 -4.310 5.310 5.761 123 2HG2 VAL 15 2HG2 VAL 15 -4.977 6.393 6.963 124 3HG2 VAL 15 3HG2 VAL 15 -5.734 6.245 5.360 125 H LEU 16 H LEU 16 -2.770 10.663 7.466 126 HA LEU 16 HA LEU 16 -2.705 12.723 5.708 127 1HB LEU 16 1HB LEU 16 -0.750 11.753 7.792 128 2HB LEU 16 2HB LEU 16 -0.399 13.193 6.865 129 HG LEU 16 HG LEU 16 -3.073 12.909 8.277 130 1HD1 LEU 16 1HD1 LEU 16 -0.445 13.852 9.467 131 2HD1 LEU 16 2HD1 LEU 16 -2.042 14.191 10.177 132 3HD1 LEU 16 3HD1 LEU 16 -1.484 12.519 10.013 133 1HD2 LEU 16 1HD2 LEU 16 -3.002 15.371 8.256 134 2HD2 LEU 16 2HD2 LEU 16 -1.392 15.337 7.508 135 3HD2 LEU 16 3HD2 LEU 16 -2.800 14.738 6.614 136 H VAL 17 H VAL 17 -0.138 10.090 5.623 137 HA VAL 17 HA VAL 17 0.495 11.145 2.964 138 HB VAL 17 HB VAL 17 2.771 10.709 3.210 139 1HG1 VAL 17 1HG1 VAL 17 3.498 12.026 5.063 140 2HG1 VAL 17 2HG1 VAL 17 1.958 12.719 4.499 141 3HG1 VAL 17 3HG1 VAL 17 2.010 11.685 5.970 142 1HG2 VAL 17 1HG2 VAL 17 3.807 9.606 5.148 143 2HG2 VAL 17 2HG2 VAL 17 2.191 9.324 5.867 144 3HG2 VAL 17 3HG2 VAL 17 2.650 8.575 4.328 145 H ARG 18 H ARG 18 0.197 9.818 1.421 146 HA ARG 18 HA ARG 18 -0.398 6.965 1.843 147 1HB ARG 18 1HB ARG 18 -1.786 8.518 -0.291 148 2HB ARG 18 2HB ARG 18 -2.262 7.122 0.677 149 1HG ARG 18 1HG ARG 18 -3.579 8.672 1.642 150 2HG ARG 18 2HG ARG 18 -2.208 8.858 2.653 151 1HD ARG 18 1HD ARG 18 -1.510 10.768 1.275 152 2HD ARG 18 2HD ARG 18 -2.848 10.536 0.177 153 HE ARG 18 HE ARG 18 -2.741 11.895 2.740 154 1HH1 ARG 18 2HH2 ARG 18 -5.031 10.664 0.438 155 2HH1 ARG 18 1HH2 ARG 18 -6.392 10.597 1.540 156 1HH2 ARG 18 2HH1 ARG 18 -4.650 12.314 4.063 157 2HH2 ARG 18 1HH1 ARG 18 -6.082 11.424 3.687 158 H GLY 19 H GLY 19 2.185 8.184 0.919 159 1HA GLY 19 1HA GLY 19 2.331 6.943 -1.787 160 2HA GLY 19 2HA GLY 19 2.822 8.633 -1.590 161 H PHE 20 H PHE 20 3.690 5.307 -1.049 162 HA PHE 20 HA PHE 20 5.891 5.688 0.800 163 1HB PHE 20 1HB PHE 20 5.391 3.584 -1.308 164 2HB PHE 20 2HB PHE 20 6.676 3.536 -0.117 165 HD1 PHE 20 1HD PHE 20 5.419 4.134 2.464 166 HD2 PHE 20 2HD PHE 20 4.076 1.762 -0.860 167 HE1 PHE 20 1HE PHE 20 4.237 2.627 4.001 168 HE2 PHE 20 2HE PHE 20 2.786 0.325 0.682 169 HZ PHE 20 HZ PHE 20 2.890 0.747 3.146 170 H GLY 21 H GLY 21 5.455 6.457 -2.543 171 1HA GLY 21 1HA GLY 21 7.893 7.843 -2.726 172 2HA GLY 21 2HA GLY 21 7.908 6.409 -3.798 173 H ASP 22 H ASP 22 7.979 8.549 -5.232 174 HA ASP 22 HA ASP 22 5.223 9.388 -5.891 175 1HB ASP 22 1HB ASP 22 6.797 11.155 -5.431 176 2HB ASP 22 2HB ASP 22 7.946 10.504 -6.601 177 H SER 23 H SER 23 7.328 6.991 -6.938 178 HA SER 23 HA SER 23 5.967 6.818 -9.588 179 1HB SER 23 1HB SER 23 8.852 6.188 -8.897 180 2HB SER 23 2HB SER 23 8.014 5.372 -10.224 181 HG SER 23 HG SER 23 8.362 8.190 -9.938 182 H VAL 24 H VAL 24 5.352 4.616 -10.194 183 HA VAL 24 HA VAL 24 4.419 3.163 -8.062 184 HB VAL 24 HB VAL 24 3.403 1.851 -9.540 185 1HG1 VAL 24 1HG1 VAL 24 2.679 3.050 -11.433 186 2HG1 VAL 24 2HG1 VAL 24 2.953 4.190 -10.100 187 3HG1 VAL 24 3HG1 VAL 24 4.144 4.056 -11.431 188 1HG2 VAL 24 1HG2 VAL 24 5.244 0.642 -10.533 189 2HG2 VAL 24 2HG2 VAL 24 4.145 1.205 -11.791 190 3HG2 VAL 24 3HG2 VAL 24 5.677 2.070 -11.515 191 H GLU 25 H GLU 25 7.363 2.475 -10.023 192 HA GLU 25 HA GLU 25 7.635 -0.016 -8.752 193 1HB GLU 25 1HB GLU 25 9.677 1.660 -10.271 194 2HB GLU 25 2HB GLU 25 9.977 0.004 -9.696 195 1HG GLU 25 1HG GLU 25 7.680 -0.516 -10.915 196 2HG GLU 25 2HG GLU 25 8.019 0.974 -11.801 197 H GLU 26 H GLU 26 8.706 3.150 -7.852 198 HA GLU 26 HA GLU 26 10.512 2.641 -5.704 199 1HB GLU 26 1HB GLU 26 8.479 4.889 -6.028 200 2HB GLU 26 2HB GLU 26 9.793 4.858 -4.883 201 1HG GLU 26 1HG GLU 26 10.163 4.723 -7.913 202 2HG GLU 26 2HG GLU 26 10.269 6.164 -6.913 203 H ALA 27 H ALA 27 7.042 3.436 -5.616 204 HA ALA 27 HA ALA 27 6.701 2.895 -2.879 205 1HB ALA 27 1HB ALA 27 5.260 4.330 -4.306 206 2HB ALA 27 2HB ALA 27 4.633 2.873 -5.120 207 3HB ALA 27 3HB ALA 27 4.345 3.135 -3.385 208 H LEU 28 H LEU 28 6.185 0.773 -5.758 209 HA LEU 28 HA LEU 28 5.141 -1.443 -4.390 210 1HB LEU 28 1HB LEU 28 5.795 -0.902 -7.009 211 2HB LEU 28 2HB LEU 28 7.049 -2.044 -6.599 212 HG LEU 28 HG LEU 28 4.039 -2.392 -6.444 213 1HD1 LEU 28 1HD1 LEU 28 4.373 -4.080 -8.222 214 2HD1 LEU 28 2HD1 LEU 28 4.965 -2.490 -8.720 215 3HD1 LEU 28 3HD1 LEU 28 6.118 -3.742 -8.216 216 1HD2 LEU 28 1HD2 LEU 28 4.897 -3.666 -4.626 217 2HD2 LEU 28 2HD2 LEU 28 4.424 -4.762 -5.909 218 3HD2 LEU 28 3HD2 LEU 28 6.156 -4.412 -5.648 219 H SER 29 H SER 29 8.616 -0.537 -4.881 220 HA SER 29 HA SER 29 9.698 -2.936 -3.716 221 1HB SER 29 1HB SER 29 10.731 -0.888 -5.161 222 2HB SER 29 2HB SER 29 11.118 -0.277 -3.551 223 HG SER 29 HG SER 29 11.888 -2.707 -4.820 224 H GLU 30 H GLU 30 8.988 0.300 -2.487 225 HA GLU 30 HA GLU 30 9.953 0.142 0.158 226 1HB GLU 30 1HB GLU 30 7.656 1.654 -1.157 227 2HB GLU 30 2HB GLU 30 8.325 2.097 0.383 228 1HG GLU 30 1HG GLU 30 10.211 1.961 -1.957 229 2HG GLU 30 2HG GLU 30 8.981 3.231 -1.866 230 H ALA 31 H ALA 31 6.725 -0.615 -1.203 231 HA ALA 31 HA ALA 31 5.351 -1.031 1.223 232 1HB ALA 31 1HB ALA 31 4.924 -2.336 -1.452 233 2HB ALA 31 2HB ALA 31 3.735 -2.209 -0.115 234 3HB ALA 31 3HB ALA 31 4.356 -0.737 -0.930 235 H ARG 32 H ARG 32 7.211 -3.480 -0.634 236 HA ARG 32 HA ARG 32 6.797 -5.610 1.249 237 1HB ARG 32 1HB ARG 32 8.929 -4.873 -0.786 238 2HB ARG 32 2HB ARG 32 9.342 -6.110 0.381 239 1HG ARG 32 1HG ARG 32 8.017 -7.685 -0.552 240 2HG ARG 32 2HG ARG 32 6.731 -6.556 -0.963 241 1HD ARG 32 1HD ARG 32 8.014 -5.743 -2.902 242 2HD ARG 32 2HD ARG 32 9.363 -6.791 -2.461 243 HE ARG 32 HE ARG 32 6.993 -8.351 -2.751 244 1HH1 ARG 32 2HH2 ARG 32 9.403 -6.634 -4.774 245 2HH1 ARG 32 1HH2 ARG 32 9.096 -7.634 -6.148 246 1HH2 ARG 32 2HH1 ARG 32 6.665 -9.649 -4.555 247 2HH2 ARG 32 1HH1 ARG 32 7.412 -9.263 -6.084 248 H GLU 33 H GLU 33 9.024 -2.863 1.278 249 HA GLU 33 HA GLU 33 10.525 -3.802 3.367 250 1HB GLU 33 1HB GLU 33 10.557 -1.723 1.503 251 2HB GLU 33 2HB GLU 33 10.287 -0.809 2.990 252 1HG GLU 33 1HG GLU 33 12.333 -1.638 3.914 253 2HG GLU 33 2HG GLU 33 12.494 -2.815 2.595 254 H HIS 34 H HIS 34 7.776 -1.392 3.406 255 HA HIS 34 HA HIS 34 8.002 -1.078 6.293 256 1HB HIS 34 1HB HIS 34 6.130 -0.034 4.182 257 2HB HIS 34 2HB HIS 34 5.653 -0.001 5.880 258 HD1 HIS 34 1HD HIS 34 9.189 0.953 4.489 259 HD2 HIS 34 2HD HIS 34 5.761 2.554 6.313 260 HE1 HIS 34 1HE HIS 34 9.782 3.307 5.150 261 H LEU 35 H LEU 35 6.251 -3.246 4.134 262 HA LEU 35 HA LEU 35 4.507 -4.351 6.147 263 1HB LEU 35 1HB LEU 35 5.756 -5.526 3.631 264 2HB LEU 35 2HB LEU 35 4.628 -6.423 4.636 265 HG LEU 35 HG LEU 35 3.893 -3.730 3.405 266 1HD1 LEU 35 1HD1 LEU 35 2.722 -4.978 1.682 267 2HD1 LEU 35 2HD1 LEU 35 4.438 -5.366 1.627 268 3HD1 LEU 35 3HD1 LEU 35 3.314 -6.536 2.350 269 1HD2 LEU 35 1HD2 LEU 35 2.251 -5.968 4.592 270 2HD2 LEU 35 2HD2 LEU 35 2.548 -4.362 5.284 271 3HD2 LEU 35 3HD2 LEU 35 1.622 -4.480 3.794 272 H LYS 36 H LYS 36 7.989 -4.951 5.369 273 HA LYS 36 HA LYS 36 8.167 -7.285 6.992 274 1HB LYS 36 1HB LYS 36 9.688 -6.333 5.035 275 2HB LYS 36 2HB LYS 36 10.487 -5.455 6.322 276 1HG LYS 36 1HG LYS 36 11.694 -7.291 6.815 277 2HG LYS 36 2HG LYS 36 10.180 -8.080 7.272 278 1HD LYS 36 1HD LYS 36 11.246 -9.497 5.665 279 2HD LYS 36 2HD LYS 36 9.844 -8.740 4.880 280 1HE LYS 36 1HE LYS 36 11.294 -7.112 3.761 281 2HE LYS 36 2HE LYS 36 12.702 -7.704 4.637 282 1HZ LYS 36 1HZ LYS 36 11.836 -8.538 2.194 283 2HZ LYS 36 2HZ LYS 36 13.016 -9.214 3.088 284 3HZ LYS 36 3HZ LYS 36 11.484 -9.810 3.161 285 H ASN 37 H ASN 37 8.976 -3.839 7.489 286 HA ASN 37 HA ASN 37 9.748 -3.992 10.233 287 1HB ASN 37 1HB ASN 37 8.286 -1.762 8.734 288 2HB ASN 37 2HB ASN 37 8.955 -1.597 10.357 289 1HD2 ASN 37 1HD2 ASN 37 9.630 -0.634 7.332 290 2HD2 ASN 37 2HD2 ASN 37 11.373 -0.685 7.452 291 H GLY 38 H GLY 38 6.646 -3.373 8.717 292 1HA GLY 38 1HA GLY 38 4.543 -4.354 9.597 293 2HA GLY 38 2HA GLY 38 5.145 -4.032 11.227 294 H THR 39 H THR 39 6.084 -1.420 9.232 295 HA THR 39 HA THR 39 4.117 0.385 10.473 296 HB THR 39 HB THR 39 5.739 2.033 9.254 297 HG1 THR 39 1HG THR 39 7.674 1.235 8.695 298 1HG2 THR 39 1HG2 THR 39 5.780 1.592 11.698 299 2HG2 THR 39 2HG2 THR 39 6.949 0.274 11.405 300 3HG2 THR 39 3HG2 THR 39 7.376 1.953 11.024 301 H CYS 40 H CYS 40 2.797 -1.307 8.778 302 HA CYS 40 HA CYS 40 2.131 0.512 6.572 303 1HB CYS 40 1HB CYS 40 3.661 -1.055 5.569 304 2HB CYS 40 2HB CYS 40 2.807 -2.422 6.287 305 HG CYS 40 HG CYS 40 0.473 -1.788 5.014 306 H GLY 41 H GLY 41 -0.053 0.407 6.017 307 1HA GLY 41 1HA GLY 41 -1.792 -1.411 7.590 308 2HA GLY 41 2HA GLY 41 -2.187 0.261 7.452 309 H LEU 42 H LEU 42 -4.185 -0.588 6.513 310 HA LEU 42 HA LEU 42 -4.019 -0.980 3.582 311 1HB LEU 42 1HB LEU 42 -4.801 -3.146 4.856 312 2HB LEU 42 2HB LEU 42 -6.135 -2.180 5.437 313 HG LEU 42 HG LEU 42 -6.677 -1.678 2.941 314 1HD1 LEU 42 1HD1 LEU 42 -5.914 -3.366 1.321 315 2HD1 LEU 42 2HD1 LEU 42 -4.550 -2.438 1.950 316 3HD1 LEU 42 3HD1 LEU 42 -4.863 -4.079 2.545 317 1HD2 LEU 42 1HD2 LEU 42 -7.933 -3.777 2.698 318 2HD2 LEU 42 2HD2 LEU 42 -6.980 -4.492 4.029 319 3HD2 LEU 42 3HD2 LEU 42 -8.050 -3.116 4.333 320 H VAL 43 H VAL 43 -5.240 0.490 2.566 321 HA VAL 43 HA VAL 43 -7.446 1.826 4.077 322 HB VAL 43 HB VAL 43 -5.587 2.783 1.916 323 1HG1 VAL 43 1HG1 VAL 43 -6.920 4.887 1.810 324 2HG1 VAL 43 2HG1 VAL 43 -7.918 3.513 1.328 325 3HG1 VAL 43 3HG1 VAL 43 -8.104 4.198 2.951 326 1HG2 VAL 43 1HG2 VAL 43 -4.926 3.043 4.354 327 2HG2 VAL 43 2HG2 VAL 43 -5.002 4.558 3.431 328 3HG2 VAL 43 3HG2 VAL 43 -6.305 4.112 4.551 329 H GLU 44 H GLU 44 -9.358 1.314 3.296 330 HA GLU 44 HA GLU 44 -9.873 -0.739 1.411 331 1HB GLU 44 1HB GLU 44 -11.555 1.506 2.617 332 2HB GLU 44 2HB GLU 44 -12.231 0.172 1.685 333 1HG GLU 44 1HG GLU 44 -11.319 -1.458 3.323 334 2HG GLU 44 2HG GLU 44 -10.597 -0.147 4.257 335 H LEU 45 H LEU 45 -11.060 -0.516 -0.683 336 HA LEU 45 HA LEU 45 -10.352 2.014 -2.090 337 1HB LEU 45 1HB LEU 45 -10.525 -0.841 -2.997 338 2HB LEU 45 2HB LEU 45 -10.923 0.429 -4.157 339 HG LEU 45 HG LEU 45 -8.368 0.555 -2.525 340 1HD1 LEU 45 1HD1 LEU 45 -8.683 -0.681 -5.285 341 2HD1 LEU 45 2HD1 LEU 45 -7.184 -0.505 -4.345 342 3HD1 LEU 45 3HD1 LEU 45 -8.462 -1.584 -3.774 343 1HD2 LEU 45 1HD2 LEU 45 -7.599 2.044 -4.274 344 2HD2 LEU 45 2HD2 LEU 45 -9.066 1.765 -5.245 345 3HD2 LEU 45 3HD2 LEU 45 -9.139 2.654 -3.712 346 H GLU 46 H GLU 46 -11.799 3.366 -2.632 347 HA GLU 46 HA GLU 46 -14.653 2.758 -2.727 348 1HB GLU 46 1HB GLU 46 -13.111 3.561 -0.530 349 2HB GLU 46 2HB GLU 46 -13.608 5.105 -1.212 350 1HG GLU 46 1HG GLU 46 -15.639 2.938 -0.726 351 2HG GLU 46 2HG GLU 46 -14.880 3.794 0.617 352 H LYS 47 H LYS 47 -15.738 4.980 -3.271 353 HA LYS 47 HA LYS 47 -15.022 5.739 -5.881 354 1HB LYS 47 1HB LYS 47 -17.295 5.942 -4.896 355 2HB LYS 47 2HB LYS 47 -16.705 7.124 -3.746 356 1HG LYS 47 1HG LYS 47 -17.541 8.629 -5.174 357 2HG LYS 47 2HG LYS 47 -16.042 8.442 -6.054 358 1HD LYS 47 1HD LYS 47 -18.620 6.925 -6.602 359 2HD LYS 47 2HD LYS 47 -18.079 8.386 -7.437 360 1HE LYS 47 1HE LYS 47 -16.148 7.250 -8.365 361 2HE LYS 47 2HE LYS 47 -16.478 5.797 -7.394 362 1HZ LYS 47 1HZ LYS 47 -17.244 5.632 -9.700 363 2HZ LYS 47 2HZ LYS 47 -18.462 5.434 -8.596 364 3HZ LYS 47 3HZ LYS 47 -18.326 6.846 -9.432 365 H GLY 48 H GLY 48 -14.653 7.668 -2.836 366 1HA GLY 48 1HA GLY 48 -13.067 9.683 -4.298 367 2HA GLY 48 2HA GLY 48 -13.982 9.891 -2.797 368 H VAL 49 H VAL 49 -12.088 6.976 -3.079 369 HA VAL 49 HA VAL 49 -10.160 7.889 -1.059 370 HB VAL 49 HB VAL 49 -10.919 5.323 -2.440 371 1HG1 VAL 49 1HG1 VAL 49 -8.393 5.553 -0.784 372 2HG1 VAL 49 2HG1 VAL 49 -9.166 4.056 -1.338 373 3HG1 VAL 49 3HG1 VAL 49 -8.487 5.140 -2.525 374 1HG2 VAL 49 1HG2 VAL 49 -11.976 6.144 -0.247 375 2HG2 VAL 49 2HG2 VAL 49 -11.218 4.536 -0.135 376 3HG2 VAL 49 3HG2 VAL 49 -10.394 5.947 0.508 377 H LEU 50 H LEU 50 -9.833 6.439 -4.302 378 HA LEU 50 HA LEU 50 -7.178 6.931 -4.964 379 1HB LEU 50 1HB LEU 50 -9.762 6.929 -6.539 380 2HB LEU 50 2HB LEU 50 -8.218 7.293 -7.300 381 HG LEU 50 HG LEU 50 -9.334 4.717 -6.367 382 1HD1 LEU 50 1HD1 LEU 50 -8.298 3.919 -8.424 383 2HD1 LEU 50 2HD1 LEU 50 -9.210 5.399 -8.743 384 3HD1 LEU 50 3HD1 LEU 50 -7.448 5.458 -8.637 385 1HD2 LEU 50 1HD2 LEU 50 -7.450 4.585 -4.927 386 2HD2 LEU 50 2HD2 LEU 50 -7.083 3.606 -6.350 387 3HD2 LEU 50 3HD2 LEU 50 -6.356 5.214 -6.168 388 HA PRO 51 HA PRO 51 -7.693 11.359 -6.340 389 1HB PRO 51 1HB PRO 51 -9.976 12.774 -6.358 390 2HB PRO 51 2HB PRO 51 -9.722 11.432 -7.496 391 1HG PRO 51 1HG PRO 51 -11.184 11.291 -4.840 392 2HG PRO 51 2HG PRO 51 -11.784 10.789 -6.460 393 1HD PRO 51 1HD PRO 51 -10.644 9.062 -4.723 394 2HD PRO 51 2HD PRO 51 -10.438 8.890 -6.473 395 H GLN 52 H GLN 52 -7.219 10.425 -3.789 396 HA GLN 52 HA GLN 52 -6.692 12.956 -2.438 397 1HB GLN 52 1HB GLN 52 -7.569 10.559 -0.775 398 2HB GLN 52 2HB GLN 52 -7.247 12.205 -0.242 399 1HG GLN 52 1HG GLN 52 -9.344 12.857 -1.631 400 2HG GLN 52 2HG GLN 52 -9.591 11.108 -1.760 401 1HE2 GLN 52 1HE2 GLN 52 -11.086 10.468 -0.243 402 2HE2 GLN 52 2HE2 GLN 52 -11.217 11.123 1.406 403 H LEU 53 H LEU 53 -5.768 9.864 -3.600 404 HA LEU 53 HA LEU 53 -3.610 9.471 -1.584 405 1HB LEU 53 1HB LEU 53 -4.641 7.818 -3.932 406 2HB LEU 53 2HB LEU 53 -3.319 7.314 -2.852 407 HG LEU 53 HG LEU 53 -6.185 7.886 -2.065 408 1HD1 LEU 53 1HD1 LEU 53 -6.186 5.947 -3.428 409 2HD1 LEU 53 2HD1 LEU 53 -4.833 5.231 -2.509 410 3HD1 LEU 53 3HD1 LEU 53 -6.416 5.489 -1.736 411 1HD2 LEU 53 1HD2 LEU 53 -5.623 6.738 0.058 412 2HD2 LEU 53 2HD2 LEU 53 -3.952 6.624 -0.476 413 3HD2 LEU 53 3HD2 LEU 53 -4.701 8.223 -0.169 414 H GLU 54 H GLU 54 -1.432 9.071 -2.529 415 HA GLU 54 HA GLU 54 -0.884 11.495 -3.877 416 1HB GLU 54 1HB GLU 54 0.940 9.184 -3.071 417 2HB GLU 54 2HB GLU 54 1.485 10.762 -3.683 418 1HG GLU 54 1HG GLU 54 -0.011 11.790 -1.828 419 2HG GLU 54 2HG GLU 54 -0.054 10.177 -1.116 420 H GLN 55 H GLN 55 0.262 8.339 -5.102 421 HA GLN 55 HA GLN 55 -1.431 8.595 -7.226 422 1HB GLN 55 1HB GLN 55 0.750 10.271 -7.718 423 2HB GLN 55 2HB GLN 55 1.203 8.713 -8.529 424 1HG GLN 55 1HG GLN 55 -0.046 9.817 -10.185 425 2HG GLN 55 2HG GLN 55 -1.063 8.605 -9.422 426 1HE2 GLN 55 1HE2 GLN 55 -2.764 9.121 -8.469 427 2HE2 GLN 55 2HE2 GLN 55 -3.518 10.674 -8.191 428 HA PRO 56 HA PRO 56 1.125 4.830 -8.001 429 1HB PRO 56 1HB PRO 56 3.325 4.094 -6.637 430 2HB PRO 56 2HB PRO 56 3.282 5.159 -8.083 431 1HG PRO 56 1HG PRO 56 3.633 5.977 -5.221 432 2HG PRO 56 2HG PRO 56 4.395 6.640 -6.681 433 1HD PRO 56 1HD PRO 56 2.185 7.793 -5.464 434 2HD PRO 56 2HD PRO 56 2.566 8.010 -7.194 435 H TYR 57 H TYR 57 -0.743 4.292 -7.236 436 HA TYR 57 HA TYR 57 -1.365 3.639 -4.469 437 1HB TYR 57 1HB TYR 57 -2.900 2.685 -6.880 438 2HB TYR 57 2HB TYR 57 -3.494 2.933 -5.246 439 HD1 TYR 57 1HD TYR 57 -4.322 3.930 -8.132 440 HD2 TYR 57 2HD TYR 57 -2.383 5.810 -4.774 441 HE1 TYR 57 1HE TYR 57 -5.242 6.146 -8.819 442 HE2 TYR 57 2HE TYR 57 -3.222 8.060 -5.562 443 HH TYR 57 HH TYR 57 -5.440 8.339 -8.352 444 H VAL 58 H VAL 58 0.095 2.137 -3.684 445 HA VAL 58 HA VAL 58 0.734 -0.271 -5.120 446 HB VAL 58 HB VAL 58 1.239 0.167 -2.168 447 1HG1 VAL 58 1HG1 VAL 58 3.099 -1.385 -2.631 448 2HG1 VAL 58 2HG1 VAL 58 1.590 -2.144 -3.145 449 3HG1 VAL 58 3HG1 VAL 58 2.694 -1.430 -4.335 450 1HG2 VAL 58 1HG2 VAL 58 2.902 1.055 -4.564 451 2HG2 VAL 58 2HG2 VAL 58 2.166 2.102 -3.329 452 3HG2 VAL 58 3HG2 VAL 58 3.457 0.996 -2.879 453 H PHE 59 H PHE 59 -1.066 -1.363 -5.606 454 HA PHE 59 HA PHE 59 -3.237 -1.892 -3.695 455 1HB PHE 59 1HB PHE 59 -2.616 -2.889 -6.518 456 2HB PHE 59 2HB PHE 59 -4.088 -3.195 -5.637 457 HD1 PHE 59 1HD PHE 59 -3.241 -1.647 -8.387 458 HD2 PHE 59 2HD PHE 59 -4.862 -0.637 -4.526 459 HE1 PHE 59 1HE PHE 59 -4.357 0.402 -9.338 460 HE2 PHE 59 2HE PHE 59 -5.866 1.422 -5.469 461 HZ PHE 59 HZ PHE 59 -5.653 1.912 -7.889 462 H ILE 60 H ILE 60 -4.149 -3.740 -3.286 463 HA ILE 60 HA ILE 60 -2.511 -6.183 -3.587 464 HB ILE 60 HB ILE 60 -3.502 -7.102 -1.676 465 1HG1 ILE 60 1HG1 ILE 60 -5.030 -4.528 -1.158 466 2HG1 ILE 60 2HG1 ILE 60 -5.728 -6.078 -1.654 467 1HG2 ILE 60 1HG2 ILE 60 -2.302 -5.916 -0.006 468 2HG2 ILE 60 2HG2 ILE 60 -1.508 -5.540 -1.542 469 3HG2 ILE 60 3HG2 ILE 60 -2.650 -4.364 -0.817 470 1HD1 ILE 60 1HD1 ILE 60 -6.006 -5.645 0.744 471 2HD1 ILE 60 2HD1 ILE 60 -5.133 -7.142 0.377 472 3HD1 ILE 60 3HD1 ILE 60 -4.263 -5.699 0.967 473 H LYS 61 H LYS 61 -3.369 -7.494 -5.070 474 HA LYS 61 HA LYS 61 -6.309 -7.427 -5.551 475 1HB LYS 61 1HB LYS 61 -5.466 -8.720 -7.717 476 2HB LYS 61 2HB LYS 61 -5.698 -6.964 -7.727 477 1HG LYS 61 1HG LYS 61 -3.394 -6.601 -7.709 478 2HG LYS 61 2HG LYS 61 -3.014 -8.227 -7.088 479 1HD LYS 61 1HD LYS 61 -2.398 -8.327 -9.385 480 2HD LYS 61 2HD LYS 61 -3.905 -9.221 -9.228 481 1HE LYS 61 1HE LYS 61 -5.168 -7.265 -10.050 482 2HE LYS 61 2HE LYS 61 -3.640 -6.368 -10.183 483 1HZ LYS 61 1HZ LYS 61 -2.893 -7.932 -11.820 484 2HZ LYS 61 2HZ LYS 61 -4.160 -8.941 -11.587 485 3HZ LYS 61 3HZ LYS 61 -4.394 -7.483 -12.321 486 H ARG 62 H ARG 62 -7.278 -9.461 -5.647 487 HA ARG 62 HA ARG 62 -5.765 -11.469 -4.195 488 1HB ARG 62 1HB ARG 62 -7.679 -12.542 -3.732 489 2HB ARG 62 2HB ARG 62 -8.167 -10.854 -3.774 490 1HG ARG 62 1HG ARG 62 -9.064 -11.272 -6.152 491 2HG ARG 62 2HG ARG 62 -8.581 -12.976 -5.845 492 1HD ARG 62 1HD ARG 62 -10.040 -12.396 -3.572 493 2HD ARG 62 2HD ARG 62 -10.868 -11.468 -4.819 494 HE ARG 62 HE ARG 62 -10.295 -14.421 -5.116 495 1HH1 ARG 62 2HH2 ARG 62 -12.683 -11.764 -5.177 496 2HH1 ARG 62 1HH2 ARG 62 -13.924 -12.780 -5.792 497 1HH2 ARG 62 2HH1 ARG 62 -11.872 -15.711 -5.796 498 2HH2 ARG 62 1HH1 ARG 62 -13.483 -15.142 -6.168 499 H SER 63 H SER 63 -4.237 -12.548 -5.187 500 HA SER 63 HA SER 63 -3.923 -13.216 -7.799 501 1HB SER 63 1HB SER 63 -2.394 -14.811 -7.324 502 2HB SER 63 2HB SER 63 -2.247 -13.556 -6.067 503 HG SER 63 HG SER 63 -2.020 -15.381 -5.111 504 H ASP 64 H ASP 64 -5.095 -15.451 -5.431 505 HA ASP 64 HA ASP 64 -6.376 -17.253 -5.378 506 1HB ASP 64 1HB ASP 64 -7.952 -15.187 -5.880 507 2HB ASP 64 2HB ASP 64 -8.281 -16.028 -7.389 508 H ALA 65 H ALA 65 -4.258 -17.213 -7.478 509 HA ALA 65 HA ALA 65 -5.345 -19.055 -9.531 510 1HB ALA 65 1HB ALA 65 -4.389 -17.560 -11.211 511 2HB ALA 65 2HB ALA 65 -5.570 -16.709 -10.233 512 3HB ALA 65 3HB ALA 65 -3.822 -16.452 -9.949 513 H LEU 66 H LEU 66 -3.298 -19.559 -7.286 514 HA LEU 66 HA LEU 66 -1.141 -20.670 -9.028 515 1HB LEU 66 1HB LEU 66 -0.851 -19.047 -6.489 516 2HB LEU 66 2HB LEU 66 0.341 -20.269 -6.919 517 HG LEU 66 HG LEU 66 -0.415 -18.309 -9.068 518 1HD1 LEU 66 1HD1 LEU 66 1.535 -17.457 -6.917 519 2HD1 LEU 66 2HD1 LEU 66 1.059 -16.594 -8.370 520 3HD1 LEU 66 3HD1 LEU 66 -0.149 -16.838 -7.097 521 1HD2 LEU 66 1HD2 LEU 66 2.200 -19.587 -8.187 522 2HD2 LEU 66 2HD2 LEU 66 1.192 -20.050 -9.573 523 3HD2 LEU 66 3HD2 LEU 66 2.024 -18.483 -9.568 524 H SER 67 H SER 67 -1.248 -22.834 -8.801 525 HA SER 67 HA SER 67 -3.322 -24.005 -7.161 526 1HB SER 67 1HB SER 67 -1.325 -25.100 -9.172 527 2HB SER 67 2HB SER 67 -2.520 -26.100 -8.337 528 HG SER 67 HG SER 67 -3.244 -23.796 -9.856 529 H THR 68 H THR 68 -2.228 -23.258 -5.138 530 HA THR 68 HA THR 68 -0.445 -25.399 -4.059 531 HB THR 68 HB THR 68 -0.207 -22.397 -3.613 532 HG1 THR 68 1HG THR 68 1.875 -22.827 -4.614 533 1HG2 THR 68 1HG2 THR 68 1.464 -24.688 -2.488 534 2HG2 THR 68 2HG2 THR 68 1.859 -22.962 -2.343 535 3HG2 THR 68 3HG2 THR 68 0.423 -23.589 -1.561 536 H ASN 69 H ASN 69 -2.939 -22.873 -3.172 537 HA ASN 69 HA ASN 69 -3.185 -24.382 -0.577 538 1HB ASN 69 1HB ASN 69 -3.346 -22.540 0.633 539 2HB ASN 69 2HB ASN 69 -2.360 -21.852 -0.643 540 1HD2 ASN 69 1HD2 ASN 69 -3.843 -20.778 -2.530 541 2HD2 ASN 69 2HD2 ASN 69 -5.312 -19.987 -1.977 542 H HIS 70 H HIS 70 -5.016 -23.026 -3.244 543 HA HIS 70 HA HIS 70 -7.220 -22.545 -3.447 544 1HB HIS 70 1HB HIS 70 -6.407 -24.754 -4.584 545 2HB HIS 70 2HB HIS 70 -7.420 -25.560 -3.423 546 HD1 HIS 70 1HD HIS 70 -9.088 -26.453 -5.366 547 HD2 HIS 70 2HD HIS 70 -8.633 -22.260 -5.041 548 HE1 HIS 70 1HE HIS 70 -10.733 -25.428 -6.969 549 H GLY 71 H GLY 71 -7.625 -21.564 -1.336 550 1HA GLY 71 1HA GLY 71 -9.855 -22.677 0.023 551 2HA GLY 71 2HA GLY 71 -8.408 -23.009 0.977 552 H HIS 72 H HIS 72 -7.088 -20.392 0.108 553 HA HIS 72 HA HIS 72 -8.828 -18.471 1.574 554 1HB HIS 72 1HB HIS 72 -5.790 -18.699 1.674 555 2HB HIS 72 2HB HIS 72 -6.768 -17.509 2.513 556 HD1 HIS 72 1HD HIS 72 -6.122 -21.346 2.636 557 HD2 HIS 72 2HD HIS 72 -7.877 -18.166 4.791 558 HE1 HIS 72 1HE HIS 72 -6.750 -22.277 4.924 559 H LYS 73 H LYS 73 -8.811 -16.385 0.776 560 HA LYS 73 HA LYS 73 -8.252 -16.107 -2.081 561 1HB LYS 73 1HB LYS 73 -9.277 -14.207 0.066 562 2HB LYS 73 2HB LYS 73 -8.997 -13.710 -1.596 563 1HG LYS 73 1HG LYS 73 -10.982 -14.431 -2.234 564 2HG LYS 73 2HG LYS 73 -10.512 -16.073 -1.888 565 1HD LYS 73 1HD LYS 73 -12.013 -16.233 -0.280 566 2HD LYS 73 2HD LYS 73 -11.284 -14.933 0.645 567 1HE LYS 73 1HE LYS 73 -12.791 -13.356 -0.055 568 2HE LYS 73 2HE LYS 73 -12.919 -14.041 -1.691 569 1HZ LYS 73 1HZ LYS 73 -14.141 -15.258 0.688 570 2HZ LYS 73 2HZ LYS 73 -14.967 -14.341 -0.424 571 3HZ LYS 73 3HZ LYS 73 -14.273 -15.784 -0.847 572 H VAL 74 H VAL 74 -5.942 -16.591 -1.788 573 HA VAL 74 HA VAL 74 -4.050 -14.909 -0.575 574 HB VAL 74 HB VAL 74 -3.973 -16.410 -3.226 575 1HG1 VAL 74 1HG1 VAL 74 -1.578 -16.388 -3.077 576 2HG1 VAL 74 2HG1 VAL 74 -2.250 -14.771 -3.208 577 3HG1 VAL 74 3HG1 VAL 74 -1.636 -15.330 -1.624 578 1HG2 VAL 74 1HG2 VAL 74 -2.922 -17.216 -0.453 579 2HG2 VAL 74 2HG2 VAL 74 -4.379 -17.878 -1.207 580 3HG2 VAL 74 3HG2 VAL 74 -2.803 -18.183 -1.932 581 H VAL 75 H VAL 75 -2.863 -13.032 -1.304 582 HA VAL 75 HA VAL 75 -3.865 -11.707 -3.717 583 HB VAL 75 HB VAL 75 -3.696 -9.506 -2.614 584 1HG1 VAL 75 1HG1 VAL 75 -5.696 -10.076 -0.873 585 2HG1 VAL 75 2HG1 VAL 75 -5.916 -9.931 -2.616 586 3HG1 VAL 75 3HG1 VAL 75 -5.786 -11.519 -1.882 587 1HG2 VAL 75 1HG2 VAL 75 -2.169 -9.922 -0.840 588 2HG2 VAL 75 2HG2 VAL 75 -3.693 -9.331 -0.179 589 3HG2 VAL 75 3HG2 VAL 75 -3.274 -11.065 -0.067 590 H GLU 76 H GLU 76 -2.092 -9.631 -3.907 591 HA GLU 76 HA GLU 76 0.548 -10.625 -3.437 592 1HB GLU 76 1HB GLU 76 1.373 -10.826 -5.568 593 2HB GLU 76 2HB GLU 76 -0.226 -11.565 -5.745 594 1HG GLU 76 1HG GLU 76 -1.070 -9.493 -6.790 595 2HG GLU 76 2HG GLU 76 0.508 -8.723 -6.593 596 H LEU 77 H LEU 77 2.043 -8.666 -4.618 597 HA LEU 77 HA LEU 77 0.842 -6.114 -3.644 598 1HB LEU 77 1HB LEU 77 3.697 -7.174 -3.637 599 2HB LEU 77 2HB LEU 77 3.349 -5.448 -3.539 600 HG LEU 77 HG LEU 77 1.980 -7.359 -1.633 601 1HD1 LEU 77 1HD1 LEU 77 3.611 -7.339 -0.004 602 2HD1 LEU 77 2HD1 LEU 77 4.582 -7.602 -1.468 603 3HD1 LEU 77 3HD1 LEU 77 4.504 -5.991 -0.695 604 1HD2 LEU 77 1HD2 LEU 77 1.739 -5.444 -0.248 605 2HD2 LEU 77 2HD2 LEU 77 2.936 -4.508 -1.155 606 3HD2 LEU 77 3HD2 LEU 77 1.357 -4.882 -1.887 607 H VAL 78 H VAL 78 0.355 -4.724 -5.237 608 HA VAL 78 HA VAL 78 1.751 -4.843 -7.858 609 HB VAL 78 HB VAL 78 -1.246 -4.443 -7.339 610 1HG1 VAL 78 1HG1 VAL 78 -0.701 -3.131 -9.306 611 2HG1 VAL 78 2HG1 VAL 78 0.174 -4.519 -10.012 612 3HG1 VAL 78 3HG1 VAL 78 -1.585 -4.572 -9.754 613 1HG2 VAL 78 1HG2 VAL 78 -0.856 -6.733 -7.110 614 2HG2 VAL 78 2HG2 VAL 78 -1.394 -6.500 -8.781 615 3HG2 VAL 78 3HG2 VAL 78 0.325 -6.762 -8.449 616 H ALA 79 H ALA 79 1.308 -2.574 -8.965 617 HA ALA 79 HA ALA 79 0.634 -0.437 -7.175 618 1HB ALA 79 1HB ALA 79 2.601 0.959 -7.634 619 2HB ALA 79 2HB ALA 79 3.033 -0.457 -6.694 620 3HB ALA 79 3HB ALA 79 3.403 -0.413 -8.438 621 H GLU 80 H GLU 80 0.329 1.601 -8.482 622 HA GLU 80 HA GLU 80 -0.080 1.267 -11.349 623 1HB GLU 80 1HB GLU 80 -1.968 0.248 -9.524 624 2HB GLU 80 2HB GLU 80 -2.612 1.815 -9.975 625 1HG GLU 80 1HG GLU 80 -1.588 -0.190 -12.061 626 2HG GLU 80 2HG GLU 80 -3.173 -0.325 -11.341 627 H MET 81 H MET 81 -0.385 3.278 -12.260 628 HA MET 81 HA MET 81 0.630 5.479 -10.577 629 1HB MET 81 1HB MET 81 2.028 5.288 -12.327 630 2HB MET 81 2HB MET 81 0.862 4.503 -13.386 631 1HG MET 81 1HG MET 81 -0.071 6.498 -14.114 632 2HG MET 81 2HG MET 81 0.700 7.460 -12.834 633 1HE MET 81 1HE MET 81 3.570 7.027 -12.469 634 2HE MET 81 2HE MET 81 4.208 8.156 -13.689 635 3HE MET 81 3HE MET 81 2.751 8.568 -12.763 636 H ASP 82 H ASP 82 -2.343 4.519 -12.179 637 HA ASP 82 HA ASP 82 -3.524 7.079 -11.133 638 1HB ASP 82 1HB ASP 82 -3.109 7.237 -13.658 639 2HB ASP 82 2HB ASP 82 -4.276 5.928 -13.852 640 H GLY 83 H GLY 83 -3.370 3.822 -11.080 641 1HA GLY 83 1HA GLY 83 -4.670 2.076 -10.653 642 2HA GLY 83 2HA GLY 83 -5.893 3.148 -9.911 643 H ILE 84 H ILE 84 -4.562 3.309 -13.208 644 HA ILE 84 HA ILE 84 -6.576 4.091 -14.777 645 HB ILE 84 HB ILE 84 -4.657 1.808 -15.433 646 1HG1 ILE 84 1HG1 ILE 84 -4.176 4.748 -16.026 647 2HG1 ILE 84 2HG1 ILE 84 -3.577 3.983 -14.556 648 1HG2 ILE 84 1HG2 ILE 84 -6.445 2.007 -17.100 649 2HG2 ILE 84 2HG2 ILE 84 -6.065 3.732 -17.291 650 3HG2 ILE 84 3HG2 ILE 84 -4.888 2.486 -17.756 651 1HD1 ILE 84 1HD1 ILE 84 -1.823 4.039 -16.199 652 2HD1 ILE 84 2HD1 ILE 84 -2.265 2.373 -15.799 653 3HD1 ILE 84 3HD1 ILE 84 -2.790 3.095 -17.339 654 H GLN 85 H GLN 85 -5.970 0.614 -14.339 655 HA GLN 85 HA GLN 85 -8.861 0.064 -14.963 656 1HB GLN 85 1HB GLN 85 -6.566 -1.943 -14.865 657 2HB GLN 85 2HB GLN 85 -8.216 -2.207 -15.421 658 1HG GLN 85 1HG GLN 85 -7.735 -0.592 -17.313 659 2HG GLN 85 2HG GLN 85 -6.054 -0.511 -16.722 660 1HE2 GLN 85 1HE2 GLN 85 -4.873 -1.702 -18.287 661 2HE2 GLN 85 2HE2 GLN 85 -5.308 -3.323 -18.779 662 H TYR 86 H TYR 86 -6.265 -1.092 -12.930 663 HA TYR 86 HA TYR 86 -7.351 -3.009 -11.262 664 1HB TYR 86 1HB TYR 86 -5.222 -0.973 -10.779 665 2HB TYR 86 2HB TYR 86 -5.488 -2.413 -9.814 666 HD1 TYR 86 1HD TYR 86 -4.529 -1.188 -13.208 667 HD2 TYR 86 2HD TYR 86 -4.911 -4.576 -10.660 668 HE1 TYR 86 1HE TYR 86 -2.780 -2.248 -14.522 669 HE2 TYR 86 2HE TYR 86 -2.857 -5.612 -11.839 670 HH TYR 86 HH TYR 86 -0.837 -4.506 -13.490 671 H GLY 87 H GLY 87 -7.450 0.612 -10.875 672 1HA GLY 87 1HA GLY 87 -8.173 0.564 -8.051 673 2HA GLY 87 2HA GLY 87 -8.118 1.951 -9.165 674 H ARG 88 H ARG 88 -10.252 0.126 -7.384 675 HA ARG 88 HA ARG 88 -12.343 -0.473 -7.434 676 1HB ARG 88 1HB ARG 88 -14.111 0.794 -8.445 677 2HB ARG 88 2HB ARG 88 -13.116 1.611 -7.281 678 1HG ARG 88 1HG ARG 88 -12.714 2.021 -10.247 679 2HG ARG 88 2HG ARG 88 -13.981 2.859 -9.358 680 1HD ARG 88 1HD ARG 88 -12.355 3.788 -7.749 681 2HD ARG 88 2HD ARG 88 -11.022 3.073 -8.635 682 HE ARG 88 HE ARG 88 -12.250 5.557 -9.112 683 1HH1 ARG 88 2HH2 ARG 88 -11.035 2.812 -11.122 684 2HH1 ARG 88 1HH2 ARG 88 -10.645 3.874 -12.438 685 1HH2 ARG 88 2HH1 ARG 88 -11.233 6.864 -10.688 686 2HH2 ARG 88 1HH1 ARG 88 -10.775 6.176 -12.197 687 H SER 89 H SER 89 -10.425 -1.628 -9.434 688 HA SER 89 HA SER 89 -12.434 -3.322 -10.788 689 1HB SER 89 1HB SER 89 -9.453 -3.703 -10.236 690 2HB SER 89 2HB SER 89 -10.491 -4.935 -10.926 691 HG SER 89 HG SER 89 -10.039 -2.357 -12.081 692 H GLY 90 H GLY 90 -13.431 -4.965 -9.590 693 1HA GLY 90 1HA GLY 90 -13.341 -4.778 -6.758 694 2HA GLY 90 2HA GLY 90 -14.255 -5.936 -7.722 695 H ILE 91 H ILE 91 -11.374 -6.686 -8.845 696 HA ILE 91 HA ILE 91 -10.623 -8.860 -7.153 697 HB ILE 91 HB ILE 91 -10.031 -8.795 -9.454 698 1HG1 ILE 91 1HG1 ILE 91 -7.572 -8.534 -7.816 699 2HG1 ILE 91 2HG1 ILE 91 -8.536 -10.005 -8.013 700 1HG2 ILE 91 1HG2 ILE 91 -8.718 -7.121 -10.574 701 2HG2 ILE 91 2HG2 ILE 91 -9.636 -6.124 -9.464 702 3HG2 ILE 91 3HG2 ILE 91 -7.973 -6.535 -9.086 703 1HD1 ILE 91 1HD1 ILE 91 -6.587 -10.145 -9.446 704 2HD1 ILE 91 2HD1 ILE 91 -8.026 -9.938 -10.468 705 3HD1 ILE 91 3HD1 ILE 91 -6.935 -8.557 -10.176 706 H THR 92 H THR 92 -9.764 -5.387 -7.249 707 HA THR 92 HA THR 92 -7.495 -5.727 -5.565 708 HB THR 92 HB THR 92 -8.910 -3.130 -6.261 709 HG1 THR 92 1HG THR 92 -8.053 -3.201 -8.188 710 1HG2 THR 92 1HG2 THR 92 -6.582 -2.289 -6.150 711 2HG2 THR 92 2HG2 THR 92 -6.984 -3.099 -4.615 712 3HG2 THR 92 3HG2 THR 92 -6.018 -3.945 -5.808 713 H LEU 93 H LEU 93 -7.439 -5.323 -3.346 714 HA LEU 93 HA LEU 93 -10.105 -5.221 -1.990 715 1HB LEU 93 1HB LEU 93 -7.641 -6.078 -0.607 716 2HB LEU 93 2HB LEU 93 -9.307 -6.396 -0.222 717 HG LEU 93 HG LEU 93 -7.727 -7.595 -2.550 718 1HD1 LEU 93 1HD1 LEU 93 -7.124 -8.412 -0.325 719 2HD1 LEU 93 2HD1 LEU 93 -8.826 -8.760 0.031 720 3HD1 LEU 93 3HD1 LEU 93 -7.963 -9.664 -1.252 721 1HD2 LEU 93 1HD2 LEU 93 -10.128 -7.352 -3.186 722 2HD2 LEU 93 2HD2 LEU 93 -9.684 -9.032 -2.962 723 3HD2 LEU 93 3HD2 LEU 93 -10.603 -8.163 -1.697 724 H GLY 94 H GLY 94 -6.906 -3.580 -2.065 725 1HA GLY 94 1HA GLY 94 -7.896 -1.099 -1.110 726 2HA GLY 94 2HA GLY 94 -7.190 -2.002 0.222 727 H VAL 95 H VAL 95 -5.687 -0.118 0.046 728 HA VAL 95 HA VAL 95 -3.326 -0.698 -1.669 729 HB VAL 95 HB VAL 95 -4.614 1.954 -0.981 730 1HG1 VAL 95 1HG1 VAL 95 -2.035 1.482 -2.497 731 2HG1 VAL 95 2HG1 VAL 95 -2.827 3.063 -2.343 732 3HG1 VAL 95 3HG1 VAL 95 -2.174 2.280 -0.913 733 1HG2 VAL 95 1HG2 VAL 95 -5.029 2.486 -3.168 734 2HG2 VAL 95 2HG2 VAL 95 -4.028 1.158 -3.756 735 3HG2 VAL 95 3HG2 VAL 95 -5.622 0.835 -2.973 736 H LEU 96 H LEU 96 -1.415 -0.352 -0.688 737 HA LEU 96 HA LEU 96 -1.388 -0.567 2.257 738 1HB LEU 96 1HB LEU 96 0.773 -0.696 0.095 739 2HB LEU 96 2HB LEU 96 1.053 -0.817 1.798 740 HG LEU 96 HG LEU 96 1.165 -2.991 1.221 741 1HD1 LEU 96 1HD1 LEU 96 -0.803 -4.247 1.913 742 2HD1 LEU 96 2HD1 LEU 96 -0.526 -2.870 2.996 743 3HD1 LEU 96 3HD1 LEU 96 -1.824 -2.792 1.776 744 1HD2 LEU 96 1HD2 LEU 96 -1.178 -2.661 -0.682 745 2HD2 LEU 96 2HD2 LEU 96 0.535 -2.666 -1.130 746 3HD2 LEU 96 3HD2 LEU 96 -0.194 -4.115 -0.429 747 H VAL 97 H VAL 97 -0.349 0.937 3.575 748 HA VAL 97 HA VAL 97 0.722 3.452 2.493 749 HB VAL 97 HB VAL 97 -0.837 4.693 4.035 750 1HG1 VAL 97 1HG1 VAL 97 -2.587 4.943 2.385 751 2HG1 VAL 97 2HG1 VAL 97 -1.043 4.702 1.550 752 3HG1 VAL 97 3HG1 VAL 97 -2.215 3.374 1.666 753 1HG2 VAL 97 1HG2 VAL 97 -1.685 2.507 5.236 754 2HG2 VAL 97 2HG2 VAL 97 -2.866 3.747 4.831 755 3HG2 VAL 97 3HG2 VAL 97 -2.715 2.282 3.819 756 HA PRO 98 HA PRO 98 3.186 2.854 6.050 757 1HB PRO 98 1HB PRO 98 4.080 5.395 6.661 758 2HB PRO 98 2HB PRO 98 4.658 4.401 5.302 759 1HG PRO 98 1HG PRO 98 2.743 6.702 5.254 760 2HG PRO 98 2HG PRO 98 3.900 6.154 4.002 761 1HD PRO 98 1HD PRO 98 1.166 5.696 4.003 762 2HD PRO 98 2HD PRO 98 2.373 4.799 3.047 763 H HIS 99 H HIS 99 2.318 2.235 7.938 764 HA HIS 99 HA HIS 99 0.289 3.869 9.335 765 1HB HIS 99 1HB HIS 99 -0.012 1.381 9.184 766 2HB HIS 99 2HB HIS 99 1.472 1.151 10.062 767 HD1 HIS 99 1HD HIS 99 0.656 0.265 12.350 768 HD2 HIS 99 2HD HIS 99 -1.234 3.827 11.134 769 HE1 HIS 99 1HE HIS 99 -0.872 0.997 14.265 770 H VAL 100 H VAL 100 0.965 5.348 10.770 771 HA VAL 100 HA VAL 100 3.514 4.927 12.264 772 HB VAL 100 HB VAL 100 3.652 7.408 12.305 773 1HG1 VAL 100 1HG1 VAL 100 4.460 7.673 10.018 774 2HG1 VAL 100 2HG1 VAL 100 4.919 6.084 10.650 775 3HG1 VAL 100 3HG1 VAL 100 3.580 6.227 9.493 776 1HG2 VAL 100 1HG2 VAL 100 2.304 8.766 10.833 777 2HG2 VAL 100 2HG2 VAL 100 1.452 7.360 10.180 778 3HG2 VAL 100 3HG2 VAL 100 1.204 7.865 11.870 779 H GLY 101 H GLY 101 1.069 3.743 13.127 780 1HA GLY 101 1HA GLY 101 -0.221 3.549 15.005 781 2HA GLY 101 2HA GLY 101 0.987 4.544 15.776 782 H GLU 102 H GLU 102 -1.369 5.216 13.222 783 HA GLU 102 HA GLU 102 -2.429 7.706 14.457 784 1HB GLU 102 1HB GLU 102 -2.661 6.189 11.865 785 2HB GLU 102 2HB GLU 102 -4.054 7.123 12.334 786 1HG GLU 102 1HG GLU 102 -1.299 8.364 12.253 787 2HG GLU 102 2HG GLU 102 -2.298 8.249 10.821 788 H THR 103 H THR 103 -4.766 5.539 13.122 789 HA THR 103 HA THR 103 -5.381 4.155 15.554 790 HB THR 103 HB THR 103 -6.696 6.768 14.959 791 HG1 THR 103 1HG THR 103 -6.107 5.139 17.185 792 1HG2 THR 103 1HG2 THR 103 -8.623 5.402 14.533 793 2HG2 THR 103 2HG2 THR 103 -8.277 4.390 15.961 794 3HG2 THR 103 3HG2 THR 103 -8.753 6.106 16.138 795 HA PRO 104 HA PRO 104 -7.128 2.133 11.900 796 1HB PRO 104 1HB PRO 104 -7.176 -0.431 12.986 797 2HB PRO 104 2HB PRO 104 -5.864 0.294 12.050 798 1HG PRO 104 1HG PRO 104 -6.092 -0.070 15.020 799 2HG PRO 104 2HG PRO 104 -4.619 -0.119 14.012 800 1HD PRO 104 1HD PRO 104 -5.414 2.046 15.570 801 2HD PRO 104 2HD PRO 104 -4.346 2.192 14.154 802 H ILE 105 H ILE 105 -9.169 1.580 11.486 803 HA ILE 105 HA ILE 105 -11.150 1.680 13.677 804 HB ILE 105 HB ILE 105 -12.802 1.390 11.840 805 1HG1 ILE 105 1HG1 ILE 105 -11.076 0.598 10.066 806 2HG1 ILE 105 2HG1 ILE 105 -12.396 1.653 9.604 807 1HG2 ILE 105 1HG2 ILE 105 -12.719 3.792 11.219 808 2HG2 ILE 105 2HG2 ILE 105 -12.469 3.495 12.941 809 3HG2 ILE 105 3HG2 ILE 105 -11.085 3.897 11.919 810 1HD1 ILE 105 1HD1 ILE 105 -10.322 2.334 8.503 811 2HD1 ILE 105 2HD1 ILE 105 -10.910 3.601 9.578 812 3HD1 ILE 105 3HD1 ILE 105 -9.544 2.620 10.070 813 H ALA 106 H ALA 106 -9.645 -0.706 11.465 814 HA ALA 106 HA ALA 106 -10.442 -2.879 13.214 815 1HB ALA 106 1HB ALA 106 -12.452 -2.666 11.716 816 2HB ALA 106 2HB ALA 106 -11.398 -2.835 10.299 817 3HB ALA 106 3HB ALA 106 -11.601 -4.184 11.442 818 H TYR 107 H TYR 107 -9.745 -5.010 11.566 819 HA TYR 107 HA TYR 107 -7.063 -4.385 10.465 820 1HB TYR 107 1HB TYR 107 -7.694 -6.214 12.753 821 2HB TYR 107 2HB TYR 107 -6.610 -6.835 11.522 822 HD1 TYR 107 1HD TYR 107 -7.095 -3.721 13.587 823 HD2 TYR 107 2HD TYR 107 -4.319 -6.424 11.695 824 HE1 TYR 107 1HE TYR 107 -5.206 -2.430 14.521 825 HE2 TYR 107 2HE TYR 107 -2.424 -5.164 12.661 826 HH TYR 107 HH TYR 107 -2.900 -2.425 14.905 827 H ARG 108 H ARG 108 -6.556 -5.546 8.673 828 HA ARG 108 HA ARG 108 -8.589 -7.423 7.530 829 1HB ARG 108 1HB ARG 108 -7.360 -4.964 6.457 830 2HB ARG 108 2HB ARG 108 -7.423 -6.315 5.367 831 1HG ARG 108 1HG ARG 108 -9.956 -5.490 6.827 832 2HG ARG 108 2HG ARG 108 -9.423 -4.660 5.356 833 1HD ARG 108 1HD ARG 108 -9.219 -6.908 4.245 834 2HD ARG 108 2HD ARG 108 -10.062 -7.616 5.638 835 HE ARG 108 HE ARG 108 -11.521 -5.396 4.517 836 1HH1 ARG 108 2HH2 ARG 108 -10.605 -8.768 3.707 837 2HH1 ARG 108 1HH2 ARG 108 -12.207 -9.156 3.115 838 1HH2 ARG 108 2HH1 ARG 108 -13.215 -5.789 3.004 839 2HH2 ARG 108 1HH1 ARG 108 -13.643 -7.398 2.526 840 H ASN 109 H ASN 109 -7.710 -9.300 7.486 841 HA ASN 109 HA ASN 109 -4.807 -9.732 7.385 842 1HB ASN 109 1HB ASN 109 -6.960 -11.818 7.011 843 2HB ASN 109 2HB ASN 109 -5.262 -12.112 7.384 844 1HD2 ASN 109 1HD2 ASN 109 -7.623 -13.082 8.834 845 2HD2 ASN 109 2HD2 ASN 109 -7.649 -12.230 10.374 846 H VAL 110 H VAL 110 -3.743 -10.935 5.745 847 HA VAL 110 HA VAL 110 -5.032 -11.419 3.190 848 HB VAL 110 HB VAL 110 -3.022 -10.377 2.016 849 1HG1 VAL 110 1HG1 VAL 110 -5.238 -9.308 1.950 850 2HG1 VAL 110 2HG1 VAL 110 -4.863 -8.449 3.452 851 3HG1 VAL 110 3HG1 VAL 110 -3.923 -8.104 1.995 852 1HG2 VAL 110 1HG2 VAL 110 -1.804 -8.553 3.060 853 2HG2 VAL 110 2HG2 VAL 110 -2.604 -8.854 4.616 854 3HG2 VAL 110 3HG2 VAL 110 -1.511 -10.071 3.912 855 H LEU 111 H LEU 111 -3.571 -12.933 1.888 856 HA LEU 111 HA LEU 111 -1.299 -14.018 3.574 857 1HB LEU 111 1HB LEU 111 -2.707 -15.032 1.035 858 2HB LEU 111 2HB LEU 111 -1.210 -15.729 1.563 859 HG LEU 111 HG LEU 111 -3.111 -17.138 1.933 860 1HD1 LEU 111 1HD1 LEU 111 -1.090 -17.318 3.375 861 2HD1 LEU 111 2HD1 LEU 111 -1.897 -16.328 4.565 862 3HD1 LEU 111 3HD1 LEU 111 -2.565 -17.903 4.141 863 1HD2 LEU 111 1HD2 LEU 111 -4.869 -15.535 2.378 864 2HD2 LEU 111 2HD2 LEU 111 -4.759 -16.734 3.683 865 3HD2 LEU 111 3HD2 LEU 111 -4.126 -15.104 3.935 866 H LEU 112 H LEU 112 0.688 -14.421 2.409 867 HA LEU 112 HA LEU 112 1.218 -12.842 -0.038 868 1HB LEU 112 1HB LEU 112 2.267 -12.236 2.539 869 2HB LEU 112 2HB LEU 112 3.523 -13.188 1.778 870 HG LEU 112 HG LEU 112 2.300 -10.609 0.721 871 1HD1 LEU 112 1HD1 LEU 112 3.872 -10.339 2.575 872 2HD1 LEU 112 2HD1 LEU 112 5.108 -11.250 1.697 873 3HD1 LEU 112 3HD1 LEU 112 4.520 -9.684 1.077 874 1HD2 LEU 112 1HD2 LEU 112 4.460 -12.346 -0.575 875 2HD2 LEU 112 2HD2 LEU 112 2.853 -11.949 -1.252 876 3HD2 LEU 112 3HD2 LEU 112 4.036 -10.675 -1.048 877 H ARG 113 H ARG 113 2.630 -14.003 -1.515 878 HA ARG 113 HA ARG 113 2.792 -16.848 -1.315 879 1HB ARG 113 1HB ARG 113 4.571 -14.854 -2.834 880 2HB ARG 113 2HB ARG 113 4.573 -16.580 -3.054 881 1HG ARG 113 1HG ARG 113 3.133 -16.397 -4.690 882 2HG ARG 113 2HG ARG 113 1.891 -15.878 -3.542 883 1HD ARG 113 1HD ARG 113 2.445 -13.539 -3.928 884 2HD ARG 113 2HD ARG 113 3.910 -13.975 -4.808 885 HE ARG 113 HE ARG 113 1.218 -14.756 -5.790 886 1HH1 ARG 113 2HH2 ARG 113 4.234 -12.962 -6.485 887 2HH1 ARG 113 1HH2 ARG 113 3.655 -12.492 -8.082 888 1HH2 ARG 113 2HH1 ARG 113 0.728 -14.345 -8.056 889 2HH2 ARG 113 1HH1 ARG 113 1.778 -13.248 -8.890 890 H LYS 114 H LYS 114 4.479 -18.157 -0.529 891 HA LYS 114 HA LYS 114 6.979 -16.884 0.331 892 1HB LYS 114 1HB LYS 114 5.143 -18.347 2.161 893 2HB LYS 114 2HB LYS 114 6.860 -18.717 2.281 894 1HG LYS 114 1HG LYS 114 5.867 -15.841 2.229 895 2HG LYS 114 2HG LYS 114 5.965 -16.755 3.698 896 1HD LYS 114 1HD LYS 114 8.395 -16.380 1.950 897 2HD LYS 114 2HD LYS 114 7.922 -15.256 3.245 898 1HE LYS 114 1HE LYS 114 7.934 -17.162 4.856 899 2HE LYS 114 2HE LYS 114 8.491 -18.232 3.571 900 1HZ LYS 114 1HZ LYS 114 10.457 -16.723 3.363 901 2HZ LYS 114 2HZ LYS 114 9.977 -15.989 4.770 902 3HZ LYS 114 3HZ LYS 114 10.392 -17.590 4.725 903 H ASN 115 H ASN 115 7.241 -17.681 -1.929 904 HA ASN 115 HA ASN 115 7.336 -20.484 -2.572 905 1HB ASN 115 1HB ASN 115 8.610 -17.968 -3.690 906 2HB ASN 115 2HB ASN 115 9.370 -19.493 -4.058 907 1HD2 ASN 115 1HD2 ASN 115 6.947 -17.411 -5.153 908 2HD2 ASN 115 2HD2 ASN 115 6.112 -18.586 -6.158 909 H GLY 116 H GLY 116 9.709 -18.222 -1.242 910 1HA GLY 116 1HA GLY 116 11.862 -18.764 -0.234 911 2HA GLY 116 2HA GLY 116 11.795 -20.320 -1.107 Start of MODEL 18 1 1H GLY 1 H GLY 1 4.163 -22.993 0.023 2 1HA GLY 1 1HA GLY 1 1.783 -22.805 0.539 3 2HA GLY 1 2HA GLY 1 2.217 -22.938 2.262 4 H HIS 2 H HIS 2 0.761 -20.703 1.312 5 HA HIS 2 HA HIS 2 2.602 -18.470 0.780 6 1HB HIS 2 1HB HIS 2 -0.409 -18.664 1.338 7 2HB HIS 2 2HB HIS 2 0.392 -17.202 0.853 8 HD1 HIS 2 1HD HIS 2 1.069 -20.504 -1.164 9 HD2 HIS 2 2HD HIS 2 -0.763 -16.707 -1.326 10 HE1 HIS 2 1HE HIS 2 0.146 -20.283 -3.463 11 H VAL 3 H VAL 3 2.524 -16.540 2.299 12 HA VAL 3 HA VAL 3 2.869 -17.350 5.163 13 HB VAL 3 HB VAL 3 3.549 -14.815 3.652 14 1HG1 VAL 3 1HG1 VAL 3 5.002 -14.252 5.580 15 2HG1 VAL 3 2HG1 VAL 3 3.302 -14.318 6.021 16 3HG1 VAL 3 3HG1 VAL 3 4.375 -15.675 6.451 17 1HG2 VAL 3 1HG2 VAL 3 5.447 -17.022 4.519 18 2HG2 VAL 3 2HG2 VAL 3 4.940 -16.700 2.844 19 3HG2 VAL 3 3HG2 VAL 3 5.890 -15.502 3.701 20 H GLN 4 H GLN 4 1.471 -16.194 6.816 21 HA GLN 4 HA GLN 4 -0.790 -14.794 5.613 22 1HB GLN 4 1HB GLN 4 -0.907 -16.920 7.254 23 2HB GLN 4 2HB GLN 4 -0.690 -15.655 8.499 24 1HG GLN 4 1HG GLN 4 -2.546 -14.401 7.542 25 2HG GLN 4 2HG GLN 4 -2.677 -15.576 6.230 26 1HE2 GLN 4 1HE2 GLN 4 -4.226 -14.667 9.003 27 2HE2 GLN 4 2HE2 GLN 4 -4.937 -16.186 9.455 28 H LEU 5 H LEU 5 -1.302 -12.738 6.276 29 HA LEU 5 HA LEU 5 0.476 -11.353 8.186 30 1HB LEU 5 1HB LEU 5 -0.183 -10.467 5.339 31 2HB LEU 5 2HB LEU 5 0.493 -9.406 6.565 32 HG LEU 5 HG LEU 5 1.897 -11.873 5.419 33 1HD1 LEU 5 1HD1 LEU 5 3.346 -10.176 4.330 34 2HD1 LEU 5 2HD1 LEU 5 1.662 -10.007 3.798 35 3HD1 LEU 5 3HD1 LEU 5 2.342 -8.877 4.990 36 1HD2 LEU 5 1HD2 LEU 5 3.908 -10.933 6.566 37 2HD2 LEU 5 2HD2 LEU 5 2.877 -9.711 7.344 38 3HD2 LEU 5 3HD2 LEU 5 2.675 -11.432 7.718 39 H SER 6 H SER 6 -0.525 -9.561 9.169 40 HA SER 6 HA SER 6 -3.332 -9.044 8.402 41 1HB SER 6 1HB SER 6 -2.551 -8.125 11.006 42 2HB SER 6 2HB SER 6 -3.966 -9.035 10.531 43 HG SER 6 HG SER 6 -1.938 -9.735 11.982 44 H LEU 7 H LEU 7 -3.932 -6.795 8.542 45 HA LEU 7 HA LEU 7 -1.784 -4.839 9.056 46 1HB LEU 7 1HB LEU 7 -3.582 -4.858 6.591 47 2HB LEU 7 2HB LEU 7 -2.580 -3.498 7.074 48 HG LEU 7 HG LEU 7 -1.487 -6.243 6.299 49 1HD1 LEU 7 1HD1 LEU 7 -2.581 -5.104 4.407 50 2HD1 LEU 7 2HD1 LEU 7 -1.653 -3.639 4.764 51 3HD1 LEU 7 3HD1 LEU 7 -0.816 -5.109 4.208 52 1HD2 LEU 7 1HD2 LEU 7 0.682 -5.193 6.239 53 2HD2 LEU 7 2HD2 LEU 7 -0.005 -3.587 6.542 54 3HD2 LEU 7 3HD2 LEU 7 0.016 -4.814 7.819 55 HA PRO 8 HA PRO 8 -5.417 -2.908 10.966 56 1HB PRO 8 1HB PRO 8 -4.499 -0.407 11.388 57 2HB PRO 8 2HB PRO 8 -3.860 -1.777 12.310 58 1HG PRO 8 1HG PRO 8 -2.644 -0.463 9.882 59 2HG PRO 8 2HG PRO 8 -1.841 -0.884 11.432 60 1HD PRO 8 1HD PRO 8 -1.735 -2.522 9.221 61 2HD PRO 8 2HD PRO 8 -1.752 -3.157 10.877 62 H VAL 9 H VAL 9 -7.147 -1.781 10.061 63 HA VAL 9 HA VAL 9 -6.805 -0.585 7.381 64 HB VAL 9 HB VAL 9 -9.463 -1.082 8.763 65 1HG1 VAL 9 1HG1 VAL 9 -8.681 -0.770 5.821 66 2HG1 VAL 9 2HG1 VAL 9 -10.330 -0.953 6.460 67 3HG1 VAL 9 3HG1 VAL 9 -9.388 0.501 6.831 68 1HG2 VAL 9 1HG2 VAL 9 -9.672 -3.121 7.305 69 2HG2 VAL 9 2HG2 VAL 9 -7.935 -2.984 6.926 70 3HG2 VAL 9 3HG2 VAL 9 -8.475 -3.294 8.580 71 H LEU 10 H LEU 10 -6.824 1.613 7.313 72 HA LEU 10 HA LEU 10 -7.320 3.190 9.818 73 1HB LEU 10 1HB LEU 10 -5.232 3.538 7.646 74 2HB LEU 10 2HB LEU 10 -5.412 4.559 9.080 75 HG LEU 10 HG LEU 10 -4.761 1.607 9.383 76 1HD1 LEU 10 1HD1 LEU 10 -2.380 2.101 9.321 77 2HD1 LEU 10 2HD1 LEU 10 -3.126 2.493 7.763 78 3HD1 LEU 10 3HD1 LEU 10 -2.709 3.798 8.886 79 1HD2 LEU 10 1HD2 LEU 10 -5.339 3.150 11.344 80 2HD2 LEU 10 2HD2 LEU 10 -3.815 2.241 11.467 81 3HD2 LEU 10 3HD2 LEU 10 -3.817 3.969 11.041 82 H GLN 11 H GLN 11 -8.406 5.310 9.326 83 HA GLN 11 HA GLN 11 -9.828 5.330 6.752 84 1HB GLN 11 1HB GLN 11 -9.836 7.257 9.106 85 2HB GLN 11 2HB GLN 11 -10.471 7.708 7.540 86 1HG GLN 11 1HG GLN 11 -11.675 5.336 7.853 87 2HG GLN 11 2HG GLN 11 -11.513 5.784 9.558 88 1HE2 GLN 11 1HE2 GLN 11 -13.483 5.782 7.085 89 2HE2 GLN 11 2HE2 GLN 11 -14.539 7.164 7.376 90 H VAL 12 H VAL 12 -9.449 6.647 4.968 91 HA VAL 12 HA VAL 12 -6.678 7.169 4.532 92 HB VAL 12 HB VAL 12 -8.257 6.407 2.852 93 1HG1 VAL 12 1HG1 VAL 12 -9.651 7.902 1.540 94 2HG1 VAL 12 2HG1 VAL 12 -10.264 7.676 3.180 95 3HG1 VAL 12 3HG1 VAL 12 -9.422 9.183 2.752 96 1HG2 VAL 12 1HG2 VAL 12 -7.433 7.741 0.962 97 2HG2 VAL 12 2HG2 VAL 12 -6.818 8.959 2.097 98 3HG2 VAL 12 3HG2 VAL 12 -6.170 7.295 2.121 99 H ARG 13 H ARG 13 -9.233 9.116 5.880 100 HA ARG 13 HA ARG 13 -7.865 11.620 5.343 101 1HB ARG 13 1HB ARG 13 -9.507 12.607 6.891 102 2HB ARG 13 2HB ARG 13 -10.259 11.715 5.576 103 1HG ARG 13 1HG ARG 13 -10.828 9.866 6.998 104 2HG ARG 13 2HG ARG 13 -9.765 10.432 8.257 105 1HD ARG 13 1HD ARG 13 -11.411 12.526 8.322 106 2HD ARG 13 2HD ARG 13 -12.501 11.401 7.510 107 HE ARG 13 HE ARG 13 -12.628 10.097 9.406 108 1HH1 ARG 13 2HH2 ARG 13 -10.002 12.450 9.961 109 2HH1 ARG 13 1HH2 ARG 13 -9.259 11.403 11.149 110 1HH2 ARG 13 2HH1 ARG 13 -11.733 8.943 11.183 111 2HH2 ARG 13 1HH1 ARG 13 -10.260 9.489 11.835 112 H ASP 14 H ASP 14 -7.823 9.191 7.930 113 HA ASP 14 HA ASP 14 -6.587 10.889 9.920 114 1HB ASP 14 1HB ASP 14 -7.188 7.923 9.663 115 2HB ASP 14 2HB ASP 14 -6.006 8.453 10.833 116 H VAL 15 H VAL 15 -5.679 8.447 7.632 117 HA VAL 15 HA VAL 15 -2.872 8.322 7.917 118 HB VAL 15 HB VAL 15 -4.542 7.536 5.507 119 1HG1 VAL 15 1HG1 VAL 15 -2.648 6.039 5.056 120 2HG1 VAL 15 2HG1 VAL 15 -2.050 7.686 5.151 121 3HG1 VAL 15 3HG1 VAL 15 -1.806 6.607 6.518 122 1HG2 VAL 15 1HG2 VAL 15 -3.557 5.798 7.826 123 2HG2 VAL 15 2HG2 VAL 15 -5.220 6.341 7.662 124 3HG2 VAL 15 3HG2 VAL 15 -4.535 5.293 6.418 125 H LEU 16 H LEU 16 -2.474 10.565 8.164 126 HA LEU 16 HA LEU 16 -2.641 12.722 6.498 127 1HB LEU 16 1HB LEU 16 -0.248 11.587 7.976 128 2HB LEU 16 2HB LEU 16 -0.267 13.204 7.290 129 HG LEU 16 HG LEU 16 -2.258 12.257 9.394 130 1HD1 LEU 16 1HD1 LEU 16 -0.890 13.393 11.027 131 2HD1 LEU 16 2HD1 LEU 16 0.041 12.137 10.241 132 3HD1 LEU 16 3HD1 LEU 16 0.314 13.840 9.780 133 1HD2 LEU 16 1HD2 LEU 16 -2.632 14.668 9.751 134 2HD2 LEU 16 2HD2 LEU 16 -1.495 15.056 8.435 135 3HD2 LEU 16 3HD2 LEU 16 -3.025 14.218 8.101 136 H VAL 17 H VAL 17 -0.452 9.916 6.026 137 HA VAL 17 HA VAL 17 0.433 11.052 3.437 138 HB VAL 17 HB VAL 17 2.048 9.222 5.246 139 1HG1 VAL 17 1HG1 VAL 17 3.157 11.227 3.258 140 2HG1 VAL 17 2HG1 VAL 17 3.855 9.719 3.930 141 3HG1 VAL 17 3HG1 VAL 17 2.599 9.650 2.707 142 1HG2 VAL 17 1HG2 VAL 17 1.686 11.199 6.610 143 2HG2 VAL 17 2HG2 VAL 17 3.336 11.117 6.021 144 3HG2 VAL 17 3HG2 VAL 17 2.185 12.249 5.256 145 H ARG 18 H ARG 18 -0.623 9.885 1.841 146 HA ARG 18 HA ARG 18 -0.787 6.953 2.122 147 1HB ARG 18 1HB ARG 18 -2.431 8.514 0.197 148 2HB ARG 18 2HB ARG 18 -2.716 6.970 1.026 149 1HG ARG 18 1HG ARG 18 -4.183 8.230 2.145 150 2HG ARG 18 2HG ARG 18 -2.833 8.510 3.192 151 1HD ARG 18 1HD ARG 18 -2.457 10.688 2.070 152 2HD ARG 18 2HD ARG 18 -3.723 10.312 0.881 153 HE ARG 18 HE ARG 18 -4.516 10.186 3.683 154 1HH1 ARG 18 2HH2 ARG 18 -4.325 12.441 0.925 155 2HH1 ARG 18 1HH2 ARG 18 -5.036 13.744 1.816 156 1HH2 ARG 18 2HH1 ARG 18 -5.788 11.678 4.591 157 2HH2 ARG 18 1HH1 ARG 18 -5.922 13.323 3.967 158 H GLY 19 H GLY 19 1.593 8.428 1.081 159 1HA GLY 19 1HA GLY 19 1.709 7.236 -1.603 160 2HA GLY 19 2HA GLY 19 2.277 8.909 -1.396 161 H PHE 20 H PHE 20 2.976 5.523 -0.802 162 HA PHE 20 HA PHE 20 5.110 5.635 1.037 163 1HB PHE 20 1HB PHE 20 4.667 3.858 -1.370 164 2HB PHE 20 2HB PHE 20 6.043 3.747 -0.310 165 HD1 PHE 20 1HD PHE 20 2.752 2.577 -0.847 166 HD2 PHE 20 2HD PHE 20 5.639 3.316 2.292 167 HE1 PHE 20 1HE PHE 20 1.706 0.816 0.551 168 HE2 PHE 20 2HE PHE 20 4.509 1.628 3.688 169 HZ PHE 20 HZ PHE 20 2.597 0.341 2.825 170 H GLY 21 H GLY 21 5.038 6.834 -2.259 171 1HA GLY 21 1HA GLY 21 7.555 8.164 -2.028 172 2HA GLY 21 2HA GLY 21 7.650 6.802 -3.144 173 H ASP 22 H ASP 22 7.883 8.225 -4.916 174 HA ASP 22 HA ASP 22 5.416 9.754 -5.722 175 1HB ASP 22 1HB ASP 22 7.947 10.636 -5.205 176 2HB ASP 22 2HB ASP 22 8.221 10.121 -6.848 177 H SER 23 H SER 23 7.308 7.048 -6.624 178 HA SER 23 HA SER 23 5.937 6.985 -9.289 179 1HB SER 23 1HB SER 23 8.869 6.418 -8.767 180 2HB SER 23 2HB SER 23 8.023 6.039 -10.272 181 HG SER 23 HG SER 23 9.064 8.186 -10.224 182 H VAL 24 H VAL 24 6.101 4.661 -10.296 183 HA VAL 24 HA VAL 24 4.595 3.092 -8.435 184 HB VAL 24 HB VAL 24 5.707 2.148 -11.136 185 1HG1 VAL 24 1HG1 VAL 24 4.870 0.349 -9.697 186 2HG1 VAL 24 2HG1 VAL 24 3.393 1.315 -9.457 187 3HG1 VAL 24 3HG1 VAL 24 3.790 0.665 -11.064 188 1HG2 VAL 24 1HG2 VAL 24 3.438 2.825 -11.905 189 2HG2 VAL 24 2HG2 VAL 24 3.236 3.633 -10.341 190 3HG2 VAL 24 3HG2 VAL 24 4.511 4.166 -11.487 191 H GLU 25 H GLU 25 7.807 2.589 -9.900 192 HA GLU 25 HA GLU 25 8.128 0.200 -8.435 193 1HB GLU 25 1HB GLU 25 10.115 2.025 -9.847 194 2HB GLU 25 2HB GLU 25 10.600 0.500 -9.077 195 1HG GLU 25 1HG GLU 25 8.575 -0.491 -10.521 196 2HG GLU 25 2HG GLU 25 8.862 0.925 -11.517 197 H GLU 26 H GLU 26 8.676 3.499 -7.593 198 HA GLU 26 HA GLU 26 10.292 3.227 -5.227 199 1HB GLU 26 1HB GLU 26 8.165 5.292 -5.873 200 2HB GLU 26 2HB GLU 26 9.278 5.358 -4.521 201 1HG GLU 26 1HG GLU 26 10.183 5.196 -7.439 202 2HG GLU 26 2HG GLU 26 9.916 6.692 -6.554 203 H ALA 27 H ALA 27 6.727 3.542 -5.560 204 HA ALA 27 HA ALA 27 6.187 3.107 -2.767 205 1HB ALA 27 1HB ALA 27 4.494 2.970 -5.310 206 2HB ALA 27 2HB ALA 27 3.876 2.485 -3.728 207 3HB ALA 27 3HB ALA 27 4.381 4.102 -3.926 208 H LEU 28 H LEU 28 6.201 0.865 -5.575 209 HA LEU 28 HA LEU 28 5.282 -1.417 -4.189 210 1HB LEU 28 1HB LEU 28 6.036 -0.870 -6.782 211 2HB LEU 28 2HB LEU 28 7.352 -1.919 -6.294 212 HG LEU 28 HG LEU 28 4.370 -2.526 -6.067 213 1HD1 LEU 28 1HD1 LEU 28 6.405 -3.584 -8.071 214 2HD1 LEU 28 2HD1 LEU 28 4.681 -4.016 -7.992 215 3HD1 LEU 28 3HD1 LEU 28 5.160 -2.370 -8.414 216 1HD2 LEU 28 1HD2 LEU 28 5.561 -3.830 -4.415 217 2HD2 LEU 28 2HD2 LEU 28 5.097 -4.897 -5.747 218 3HD2 LEU 28 3HD2 LEU 28 6.779 -4.329 -5.618 219 H SER 29 H SER 29 8.629 -0.157 -4.526 220 HA SER 29 HA SER 29 9.944 -2.313 -3.189 221 1HB SER 29 1HB SER 29 10.819 -0.217 -4.625 222 2HB SER 29 2HB SER 29 10.907 0.548 -3.022 223 HG SER 29 HG SER 29 12.815 -0.503 -3.760 224 H GLU 30 H GLU 30 8.751 0.914 -2.083 225 HA GLU 30 HA GLU 30 9.628 0.531 0.624 226 1HB GLU 30 1HB GLU 30 7.247 2.081 -0.522 227 2HB GLU 30 2HB GLU 30 7.913 2.261 1.095 228 1HG GLU 30 1HG GLU 30 9.165 3.053 -1.500 229 2HG GLU 30 2HG GLU 30 8.674 4.108 -0.184 230 H ALA 31 H ALA 31 6.524 -0.212 -1.036 231 HA ALA 31 HA ALA 31 5.030 -0.921 1.199 232 1HB ALA 31 1HB ALA 31 4.940 -2.078 -1.617 233 2HB ALA 31 2HB ALA 31 3.663 -2.238 -0.381 234 3HB ALA 31 3HB ALA 31 4.102 -0.633 -1.027 235 H ARG 32 H ARG 32 7.084 -3.108 -0.833 236 HA ARG 32 HA ARG 32 6.671 -5.413 0.829 237 1HB ARG 32 1HB ARG 32 8.500 -6.411 -0.327 238 2HB ARG 32 2HB ARG 32 7.594 -5.363 -1.431 239 1HG ARG 32 1HG ARG 32 9.201 -3.805 -1.624 240 2HG ARG 32 2HG ARG 32 10.191 -4.422 -0.272 241 1HD ARG 32 1HD ARG 32 10.844 -6.333 -1.556 242 2HD ARG 32 2HD ARG 32 9.593 -6.012 -2.766 243 HE ARG 32 HE ARG 32 11.763 -4.046 -2.277 244 1HH1 ARG 32 2HH2 ARG 32 10.569 -6.520 -4.490 245 2HH1 ARG 32 1HH2 ARG 32 10.851 -5.625 -5.944 246 1HH2 ARG 32 2HH1 ARG 32 12.292 -2.842 -4.200 247 2HH2 ARG 32 1HH1 ARG 32 12.063 -3.514 -5.759 248 H GLU 33 H GLU 33 8.993 -2.759 1.113 249 HA GLU 33 HA GLU 33 10.463 -4.073 3.144 250 1HB GLU 33 1HB GLU 33 11.675 -2.490 1.913 251 2HB GLU 33 2HB GLU 33 10.324 -1.415 1.770 252 1HG GLU 33 1HG GLU 33 10.511 -0.396 3.584 253 2HG GLU 33 2HG GLU 33 11.374 -1.655 4.510 254 H HIS 34 H HIS 34 7.723 -1.715 3.190 255 HA HIS 34 HA HIS 34 7.740 -1.361 6.054 256 1HB HIS 34 1HB HIS 34 5.660 -0.812 3.904 257 2HB HIS 34 2HB HIS 34 5.409 -0.498 5.621 258 HD1 HIS 34 1HD HIS 34 8.071 0.640 3.011 259 HD2 HIS 34 2HD HIS 34 5.745 1.954 6.245 260 HE1 HIS 34 1HE HIS 34 8.508 3.148 3.255 261 H LEU 35 H LEU 35 6.078 -3.563 3.764 262 HA LEU 35 HA LEU 35 4.425 -4.862 5.723 263 1HB LEU 35 1HB LEU 35 5.577 -5.833 3.071 264 2HB LEU 35 2HB LEU 35 4.436 -6.765 4.025 265 HG LEU 35 HG LEU 35 3.764 -4.014 2.914 266 1HD1 LEU 35 1HD1 LEU 35 2.458 -5.280 1.224 267 2HD1 LEU 35 2HD1 LEU 35 4.197 -5.576 1.082 268 3HD1 LEU 35 3HD1 LEU 35 3.151 -6.803 1.833 269 1HD2 LEU 35 1HD2 LEU 35 2.447 -4.638 4.831 270 2HD2 LEU 35 2HD2 LEU 35 1.487 -4.614 3.361 271 3HD2 LEU 35 3HD2 LEU 35 2.000 -6.180 4.073 272 H LYS 36 H LYS 36 7.900 -5.361 4.800 273 HA LYS 36 HA LYS 36 8.224 -7.725 6.352 274 1HB LYS 36 1HB LYS 36 9.524 -7.154 4.402 275 2HB LYS 36 2HB LYS 36 10.127 -5.677 5.142 276 1HG LYS 36 1HG LYS 36 11.673 -6.741 6.414 277 2HG LYS 36 2HG LYS 36 10.568 -8.085 6.724 278 1HD LYS 36 1HD LYS 36 12.610 -8.782 5.442 279 2HD LYS 36 2HD LYS 36 11.073 -9.137 4.647 280 1HE LYS 36 1HE LYS 36 12.511 -8.343 2.934 281 2HE LYS 36 2HE LYS 36 11.341 -7.072 3.259 282 1HZ LYS 36 1HZ LYS 36 13.178 -6.069 4.698 283 2HZ LYS 36 2HZ LYS 36 14.207 -7.105 3.925 284 3HZ LYS 36 3HZ LYS 36 13.326 -6.003 3.081 285 H ASN 37 H ASN 37 8.902 -4.244 6.895 286 HA ASN 37 HA ASN 37 9.818 -4.469 9.603 287 1HB ASN 37 1HB ASN 37 8.525 -2.205 8.050 288 2HB ASN 37 2HB ASN 37 8.964 -2.040 9.746 289 1HD2 ASN 37 1HD2 ASN 37 10.273 -2.363 6.472 290 2HD2 ASN 37 2HD2 ASN 37 11.884 -1.848 6.920 291 H GLY 38 H GLY 38 6.538 -4.359 8.264 292 1HA GLY 38 1HA GLY 38 4.552 -5.046 9.375 293 2HA GLY 38 2HA GLY 38 5.314 -4.743 10.942 294 H THR 39 H THR 39 6.051 -2.172 8.726 295 HA THR 39 HA THR 39 4.299 -0.355 10.261 296 HB THR 39 HB THR 39 5.956 1.308 9.289 297 HG1 THR 39 1HG THR 39 7.875 0.411 8.502 298 1HG2 THR 39 1HG2 THR 39 7.194 -0.985 10.865 299 2HG2 THR 39 2HG2 THR 39 7.770 0.686 10.813 300 3HG2 THR 39 3HG2 THR 39 6.215 0.328 11.572 301 H CYS 40 H CYS 40 2.862 -1.878 8.428 302 HA CYS 40 HA CYS 40 2.192 0.164 6.381 303 1HB CYS 40 1HB CYS 40 3.460 -1.490 5.245 304 2HB CYS 40 2HB CYS 40 2.538 -2.808 5.983 305 HG CYS 40 HG CYS 40 1.203 -0.388 4.165 306 H GLY 41 H GLY 41 -0.054 0.154 5.815 307 1HA GLY 41 1HA GLY 41 -1.898 -1.359 7.478 308 2HA GLY 41 2HA GLY 41 -2.022 0.386 7.532 309 H LEU 42 H LEU 42 -4.237 -0.583 6.591 310 HA LEU 42 HA LEU 42 -4.171 -0.662 3.601 311 1HB LEU 42 1HB LEU 42 -4.597 -2.903 4.723 312 2HB LEU 42 2HB LEU 42 -5.948 -2.168 5.583 313 HG LEU 42 HG LEU 42 -7.041 -1.720 3.311 314 1HD1 LEU 42 1HD1 LEU 42 -4.815 -3.565 2.370 315 2HD1 LEU 42 2HD1 LEU 42 -6.234 -3.102 1.406 316 3HD1 LEU 42 3HD1 LEU 42 -5.049 -1.882 1.875 317 1HD2 LEU 42 1HD2 LEU 42 -6.582 -4.638 4.009 318 2HD2 LEU 42 2HD2 LEU 42 -7.777 -3.545 4.718 319 3HD2 LEU 42 3HD2 LEU 42 -7.888 -3.939 3.000 320 H VAL 43 H VAL 43 -5.813 0.344 2.531 321 HA VAL 43 HA VAL 43 -8.055 1.568 4.032 322 HB VAL 43 HB VAL 43 -6.354 2.696 1.766 323 1HG1 VAL 43 1HG1 VAL 43 -8.812 3.228 1.542 324 2HG1 VAL 43 2HG1 VAL 43 -8.761 3.999 3.139 325 3HG1 VAL 43 3HG1 VAL 43 -7.814 4.643 1.771 326 1HG2 VAL 43 1HG2 VAL 43 -5.826 4.602 3.237 327 2HG2 VAL 43 2HG2 VAL 43 -6.679 3.810 4.574 328 3HG2 VAL 43 3HG2 VAL 43 -5.214 3.082 3.895 329 H GLU 44 H GLU 44 -10.015 0.675 3.062 330 HA GLU 44 HA GLU 44 -9.615 -1.008 0.701 331 1HB GLU 44 1HB GLU 44 -12.224 -0.336 2.098 332 2HB GLU 44 2HB GLU 44 -11.957 -1.506 0.789 333 1HG GLU 44 1HG GLU 44 -10.126 -2.530 2.364 334 2HG GLU 44 2HG GLU 44 -10.893 -1.546 3.585 335 H LEU 45 H LEU 45 -11.059 -0.758 -1.037 336 HA LEU 45 HA LEU 45 -10.721 2.034 -2.102 337 1HB LEU 45 1HB LEU 45 -10.994 -0.611 -3.487 338 2HB LEU 45 2HB LEU 45 -11.414 0.864 -4.355 339 HG LEU 45 HG LEU 45 -8.731 0.449 -2.989 340 1HD1 LEU 45 1HD1 LEU 45 -9.310 -1.132 -4.915 341 2HD1 LEU 45 2HD1 LEU 45 -9.318 0.320 -5.952 342 3HD1 LEU 45 3HD1 LEU 45 -7.844 -0.169 -5.087 343 1HD2 LEU 45 1HD2 LEU 45 -8.024 2.352 -4.470 344 2HD2 LEU 45 2HD2 LEU 45 -9.698 2.545 -5.013 345 3HD2 LEU 45 3HD2 LEU 45 -9.237 2.863 -3.328 346 H GLU 46 H GLU 46 -12.306 3.411 -2.413 347 HA GLU 46 HA GLU 46 -15.011 2.485 -3.000 348 1HB GLU 46 1HB GLU 46 -14.463 4.579 -0.855 349 2HB GLU 46 2HB GLU 46 -16.035 3.994 -1.398 350 1HG GLU 46 1HG GLU 46 -15.472 1.745 -0.508 351 2HG GLU 46 2HG GLU 46 -13.931 2.361 0.101 352 H LYS 47 H LYS 47 -16.246 4.480 -3.784 353 HA LYS 47 HA LYS 47 -15.202 5.309 -6.090 354 1HB LYS 47 1HB LYS 47 -17.565 5.566 -5.398 355 2HB LYS 47 2HB LYS 47 -17.135 6.978 -4.427 356 1HG LYS 47 1HG LYS 47 -16.411 8.164 -6.515 357 2HG LYS 47 2HG LYS 47 -16.787 6.716 -7.447 358 1HD LYS 47 1HD LYS 47 -18.648 8.146 -7.760 359 2HD LYS 47 2HD LYS 47 -19.200 6.934 -6.584 360 1HE LYS 47 1HE LYS 47 -18.489 8.612 -4.766 361 2HE LYS 47 2HE LYS 47 -18.245 9.787 -6.064 362 1HZ LYS 47 1HZ LYS 47 -20.347 10.058 -5.060 363 2HZ LYS 47 2HZ LYS 47 -20.631 9.517 -6.589 364 3HZ LYS 47 3HZ LYS 47 -20.785 8.493 -5.298 365 H GLY 48 H GLY 48 -15.136 7.558 -3.246 366 1HA GLY 48 1HA GLY 48 -13.561 9.417 -4.882 367 2HA GLY 48 2HA GLY 48 -14.366 9.749 -3.350 368 H VAL 49 H VAL 49 -12.322 6.887 -3.474 369 HA VAL 49 HA VAL 49 -10.720 8.061 -1.365 370 HB VAL 49 HB VAL 49 -10.705 5.333 -2.687 371 1HG1 VAL 49 1HG1 VAL 49 -9.404 4.609 -0.655 372 2HG1 VAL 49 2HG1 VAL 49 -8.491 5.630 -1.758 373 3HG1 VAL 49 3HG1 VAL 49 -9.142 6.310 -0.255 374 1HG2 VAL 49 1HG2 VAL 49 -11.797 4.613 -0.585 375 2HG2 VAL 49 2HG2 VAL 49 -11.673 6.258 0.063 376 3HG2 VAL 49 3HG2 VAL 49 -12.737 5.920 -1.317 377 H LEU 50 H LEU 50 -9.906 6.797 -4.584 378 HA LEU 50 HA LEU 50 -7.138 7.228 -4.708 379 1HB LEU 50 1HB LEU 50 -9.403 7.263 -6.723 380 2HB LEU 50 2HB LEU 50 -7.735 7.582 -7.192 381 HG LEU 50 HG LEU 50 -8.962 5.018 -6.212 382 1HD1 LEU 50 1HD1 LEU 50 -7.121 5.686 -8.543 383 2HD1 LEU 50 2HD1 LEU 50 -7.850 4.104 -8.195 384 3HD1 LEU 50 3HD1 LEU 50 -8.885 5.498 -8.620 385 1HD2 LEU 50 1HD2 LEU 50 -7.061 4.983 -4.817 386 2HD2 LEU 50 2HD2 LEU 50 -6.628 4.009 -6.210 387 3HD2 LEU 50 3HD2 LEU 50 -6.019 5.668 -6.089 388 HA PRO 51 HA PRO 51 -7.180 11.517 -6.334 389 1HB PRO 51 1HB PRO 51 -9.303 13.110 -6.773 390 2HB PRO 51 2HB PRO 51 -9.022 11.659 -7.770 391 1HG PRO 51 1HG PRO 51 -10.865 11.934 -5.403 392 2HG PRO 51 2HG PRO 51 -11.241 11.239 -7.014 393 1HD PRO 51 1HD PRO 51 -10.466 9.786 -4.768 394 2HD PRO 51 2HD PRO 51 -10.227 9.201 -6.414 395 H GLN 52 H GLN 52 -7.101 10.756 -3.729 396 HA GLN 52 HA GLN 52 -6.911 13.303 -2.220 397 1HB GLN 52 1HB GLN 52 -7.750 10.676 -0.939 398 2HB GLN 52 2HB GLN 52 -7.740 12.267 -0.211 399 1HG GLN 52 1HG GLN 52 -9.632 12.926 -1.749 400 2HG GLN 52 2HG GLN 52 -9.662 11.251 -2.334 401 1HE2 GLN 52 1HE2 GLN 52 -10.044 9.583 -0.817 402 2HE2 GLN 52 2HE2 GLN 52 -10.952 9.826 0.685 403 H LEU 53 H LEU 53 -5.741 10.249 -3.295 404 HA LEU 53 HA LEU 53 -3.507 9.833 -1.437 405 1HB LEU 53 1HB LEU 53 -4.463 8.473 -3.906 406 2HB LEU 53 2HB LEU 53 -3.196 7.855 -2.836 407 HG LEU 53 HG LEU 53 -6.185 8.192 -2.258 408 1HD1 LEU 53 1HD1 LEU 53 -4.681 5.577 -2.480 409 2HD1 LEU 53 2HD1 LEU 53 -6.435 5.906 -2.487 410 3HD1 LEU 53 3HD1 LEU 53 -5.427 6.360 -3.879 411 1HD2 LEU 53 1HD2 LEU 53 -4.890 8.391 -0.183 412 2HD2 LEU 53 2HD2 LEU 53 -5.769 6.851 -0.249 413 3HD2 LEU 53 3HD2 LEU 53 -4.044 6.855 -0.600 414 H GLU 54 H GLU 54 -1.378 9.345 -2.861 415 HA GLU 54 HA GLU 54 -0.897 11.777 -4.419 416 1HB GLU 54 1HB GLU 54 0.846 9.429 -3.575 417 2HB GLU 54 2HB GLU 54 1.398 10.694 -4.651 418 1HG GLU 54 1HG GLU 54 0.498 11.013 -1.776 419 2HG GLU 54 2HG GLU 54 2.153 11.027 -2.358 420 H GLN 55 H GLN 55 0.148 8.564 -5.446 421 HA GLN 55 HA GLN 55 -1.691 8.641 -7.623 422 1HB GLN 55 1HB GLN 55 0.873 10.068 -7.991 423 2HB GLN 55 2HB GLN 55 0.512 8.844 -9.243 424 1HG GLN 55 1HG GLN 55 -1.029 11.361 -8.552 425 2HG GLN 55 2HG GLN 55 -0.282 10.901 -10.072 426 1HE2 GLN 55 1HE2 GLN 55 -1.269 8.223 -10.283 427 2HE2 GLN 55 2HE2 GLN 55 -2.953 8.159 -9.924 428 HA PRO 56 HA PRO 56 0.992 4.859 -8.321 429 1HB PRO 56 1HB PRO 56 3.142 4.682 -6.340 430 2HB PRO 56 2HB PRO 56 3.173 4.527 -8.110 431 1HG PRO 56 1HG PRO 56 4.180 6.754 -6.749 432 2HG PRO 56 2HG PRO 56 3.687 6.718 -8.459 433 1HD PRO 56 1HD PRO 56 2.272 7.848 -6.094 434 2HD PRO 56 2HD PRO 56 2.220 8.328 -7.806 435 H TYR 57 H TYR 57 -1.050 4.454 -7.448 436 HA TYR 57 HA TYR 57 -1.431 3.973 -4.617 437 1HB TYR 57 1HB TYR 57 -3.235 2.892 -6.777 438 2HB TYR 57 2HB TYR 57 -3.654 3.387 -5.149 439 HD1 TYR 57 1HD TYR 57 -3.976 4.219 -8.456 440 HD2 TYR 57 2HD TYR 57 -2.865 6.060 -4.714 441 HE1 TYR 57 1HE TYR 57 -4.550 6.500 -9.377 442 HE2 TYR 57 2HE TYR 57 -3.519 8.326 -5.604 443 HH TYR 57 HH TYR 57 -4.381 9.490 -7.457 444 H VAL 58 H VAL 58 -0.499 2.273 -3.568 445 HA VAL 58 HA VAL 58 0.319 -0.148 -4.952 446 HB VAL 58 HB VAL 58 0.319 0.497 -1.979 447 1HG1 VAL 58 1HG1 VAL 58 1.923 -1.315 -1.759 448 2HG1 VAL 58 2HG1 VAL 58 0.491 -1.986 -2.542 449 3HG1 VAL 58 3HG1 VAL 58 1.924 -1.608 -3.511 450 1HG2 VAL 58 1HG2 VAL 58 2.764 0.863 -2.388 451 2HG2 VAL 58 2HG2 VAL 58 2.440 0.767 -4.128 452 3HG2 VAL 58 3HG2 VAL 58 1.714 2.066 -3.146 453 H PHE 59 H PHE 59 -1.597 -1.127 -5.760 454 HA PHE 59 HA PHE 59 -3.830 -1.669 -3.917 455 1HB PHE 59 1HB PHE 59 -3.210 -2.690 -6.712 456 2HB PHE 59 2HB PHE 59 -4.734 -2.907 -5.866 457 HD1 PHE 59 1HD PHE 59 -3.458 -1.239 -8.535 458 HD2 PHE 59 2HD PHE 59 -5.524 -0.370 -4.835 459 HE1 PHE 59 1HE PHE 59 -4.406 0.802 -9.517 460 HE2 PHE 59 2HE PHE 59 -6.388 1.725 -5.835 461 HZ PHE 59 HZ PHE 59 -5.874 2.304 -8.191 462 H ILE 60 H ILE 60 -4.754 -3.741 -3.740 463 HA ILE 60 HA ILE 60 -2.860 -5.999 -3.734 464 HB ILE 60 HB ILE 60 -3.640 -6.762 -1.624 465 1HG1 ILE 60 1HG1 ILE 60 -5.211 -4.209 -1.156 466 2HG1 ILE 60 2HG1 ILE 60 -5.937 -5.762 -1.574 467 1HG2 ILE 60 1HG2 ILE 60 -2.417 -5.269 -0.219 468 2HG2 ILE 60 2HG2 ILE 60 -1.725 -5.153 -1.841 469 3HG2 ILE 60 3HG2 ILE 60 -2.843 -3.889 -1.264 470 1HD1 ILE 60 1HD1 ILE 60 -4.328 -5.257 0.933 471 2HD1 ILE 60 2HD1 ILE 60 -6.087 -5.410 0.806 472 3HD1 ILE 60 3HD1 ILE 60 -5.059 -6.804 0.444 473 H LYS 61 H LYS 61 -3.688 -7.633 -4.897 474 HA LYS 61 HA LYS 61 -6.622 -7.793 -5.240 475 1HB LYS 61 1HB LYS 61 -5.646 -9.132 -7.422 476 2HB LYS 61 2HB LYS 61 -6.399 -7.520 -7.413 477 1HG LYS 61 1HG LYS 61 -4.298 -6.488 -7.355 478 2HG LYS 61 2HG LYS 61 -3.452 -8.035 -7.072 479 1HD LYS 61 1HD LYS 61 -4.745 -8.658 -9.401 480 2HD LYS 61 2HD LYS 61 -4.591 -6.878 -9.579 481 1HE LYS 61 1HE LYS 61 -2.275 -6.952 -9.344 482 2HE LYS 61 2HE LYS 61 -2.346 -8.564 -8.599 483 1HZ LYS 61 1HZ LYS 61 -2.815 -8.028 -11.481 484 2HZ LYS 61 2HZ LYS 61 -1.441 -8.632 -10.847 485 3HZ LYS 61 3HZ LYS 61 -2.793 -9.517 -10.738 486 H ARG 62 H ARG 62 -7.493 -9.953 -5.319 487 HA ARG 62 HA ARG 62 -6.119 -11.730 -3.529 488 1HB ARG 62 1HB ARG 62 -8.064 -13.258 -3.866 489 2HB ARG 62 2HB ARG 62 -8.423 -11.670 -3.199 490 1HG ARG 62 1HG ARG 62 -9.243 -10.852 -5.159 491 2HG ARG 62 2HG ARG 62 -8.654 -12.096 -6.207 492 1HD ARG 62 1HD ARG 62 -10.134 -13.748 -4.791 493 2HD ARG 62 2HD ARG 62 -11.024 -12.286 -4.337 494 HE ARG 62 HE ARG 62 -11.105 -11.948 -6.931 495 1HH1 ARG 62 2HH2 ARG 62 -11.748 -15.133 -5.289 496 2HH1 ARG 62 1HH2 ARG 62 -12.174 -15.844 -6.802 497 1HH2 ARG 62 2HH1 ARG 62 -11.809 -13.013 -8.805 498 2HH2 ARG 62 1HH1 ARG 62 -12.444 -14.601 -8.737 499 H SER 63 H SER 63 -4.325 -11.707 -5.054 500 HA SER 63 HA SER 63 -2.807 -12.656 -6.475 501 1HB SER 63 1HB SER 63 -2.934 -14.616 -5.090 502 2HB SER 63 2HB SER 63 -4.454 -15.143 -5.802 503 HG SER 63 HG SER 63 -1.998 -14.975 -7.245 504 H ASP 64 H ASP 64 -4.568 -14.955 -8.047 505 HA ASP 64 HA ASP 64 -6.488 -13.325 -9.469 506 1HB ASP 64 1HB ASP 64 -4.238 -13.067 -10.726 507 2HB ASP 64 2HB ASP 64 -4.406 -14.769 -11.166 508 H ALA 65 H ALA 65 -4.675 -16.422 -9.632 509 HA ALA 65 HA ALA 65 -7.158 -17.942 -9.963 510 1HB ALA 65 1HB ALA 65 -4.252 -18.800 -9.682 511 2HB ALA 65 2HB ALA 65 -5.630 -19.849 -10.092 512 3HB ALA 65 3HB ALA 65 -5.139 -18.549 -11.211 513 H LEU 66 H LEU 66 -8.349 -18.299 -8.192 514 HA LEU 66 HA LEU 66 -7.126 -19.883 -6.051 515 1HB LEU 66 1HB LEU 66 -9.148 -17.637 -5.578 516 2HB LEU 66 2HB LEU 66 -8.742 -18.864 -4.391 517 HG LEU 66 HG LEU 66 -6.660 -16.957 -5.535 518 1HD1 LEU 66 1HD1 LEU 66 -8.430 -15.688 -4.368 519 2HD1 LEU 66 2HD1 LEU 66 -8.271 -16.741 -2.947 520 3HD1 LEU 66 3HD1 LEU 66 -6.927 -15.673 -3.441 521 1HD2 LEU 66 1HD2 LEU 66 -6.699 -18.746 -3.053 522 2HD2 LEU 66 2HD2 LEU 66 -5.747 -19.025 -4.525 523 3HD2 LEU 66 3HD2 LEU 66 -5.401 -17.627 -3.504 524 H SER 67 H SER 67 -9.090 -21.097 -4.941 525 HA SER 67 HA SER 67 -11.408 -21.406 -6.729 526 1HB SER 67 1HB SER 67 -9.821 -23.241 -7.253 527 2HB SER 67 2HB SER 67 -9.706 -23.648 -5.535 528 HG SER 67 HG SER 67 -12.053 -23.729 -7.132 529 H THR 68 H THR 68 -13.295 -22.352 -5.345 530 HA THR 68 HA THR 68 -13.184 -21.090 -2.709 531 HB THR 68 HB THR 68 -15.622 -22.565 -3.645 532 HG1 THR 68 1HG THR 68 -16.214 -20.926 -5.018 533 1HG2 THR 68 1HG2 THR 68 -15.144 -19.780 -2.483 534 2HG2 THR 68 2HG2 THR 68 -16.704 -20.620 -2.630 535 3HG2 THR 68 3HG2 THR 68 -15.490 -21.221 -1.509 536 H ASN 69 H ASN 69 -12.127 -23.933 -3.787 537 HA ASN 69 HA ASN 69 -13.322 -25.923 -2.185 538 1HB ASN 69 1HB ASN 69 -12.051 -26.116 -4.377 539 2HB ASN 69 2HB ASN 69 -10.556 -26.041 -3.440 540 1HD2 ASN 69 1HD2 ASN 69 -9.931 -27.962 -2.320 541 2HD2 ASN 69 2HD2 ASN 69 -10.895 -29.426 -2.378 542 H HIS 70 H HIS 70 -13.151 -24.389 -0.252 543 HA HIS 70 HA HIS 70 -12.352 -23.593 1.694 544 1HB HIS 70 1HB HIS 70 -13.091 -25.704 2.392 545 2HB HIS 70 2HB HIS 70 -11.623 -26.515 1.890 546 HD1 HIS 70 1HD HIS 70 -10.637 -27.356 4.162 547 HD2 HIS 70 2HD HIS 70 -12.218 -23.451 4.304 548 HE1 HIS 70 1HE HIS 70 -9.927 -26.383 6.394 549 H GLY 71 H GLY 71 -10.998 -22.164 0.531 550 1HA GLY 71 1HA GLY 71 -8.139 -22.452 1.244 551 2HA GLY 71 2HA GLY 71 -8.631 -21.915 -0.382 552 H HIS 72 H HIS 72 -7.097 -20.334 1.399 553 HA HIS 72 HA HIS 72 -8.914 -18.289 2.526 554 1HB HIS 72 1HB HIS 72 -5.879 -18.572 2.400 555 2HB HIS 72 2HB HIS 72 -6.728 -17.209 3.132 556 HD1 HIS 72 1HD HIS 72 -6.639 -21.081 3.671 557 HD2 HIS 72 2HD HIS 72 -7.253 -17.394 5.650 558 HE1 HIS 72 1HE HIS 72 -7.032 -21.636 6.118 559 H LYS 73 H LYS 73 -8.756 -16.103 2.009 560 HA LYS 73 HA LYS 73 -8.126 -15.424 -0.776 561 1HB LYS 73 1HB LYS 73 -9.231 -13.864 1.587 562 2HB LYS 73 2HB LYS 73 -8.501 -13.038 0.204 563 1HG LYS 73 1HG LYS 73 -10.012 -14.269 -1.344 564 2HG LYS 73 2HG LYS 73 -10.852 -14.970 0.045 565 1HD LYS 73 1HD LYS 73 -10.491 -11.965 -0.209 566 2HD LYS 73 2HD LYS 73 -11.731 -12.774 -1.147 567 1HE LYS 73 1HE LYS 73 -11.600 -13.298 1.830 568 2HE LYS 73 2HE LYS 73 -12.276 -11.770 1.255 569 1HZ LYS 73 1HZ LYS 73 -13.209 -14.431 0.388 570 2HZ LYS 73 2HZ LYS 73 -13.985 -13.477 1.471 571 3HZ LYS 73 3HZ LYS 73 -13.813 -13.000 -0.117 572 H VAL 74 H VAL 74 -6.000 -15.856 -0.999 573 HA VAL 74 HA VAL 74 -4.022 -14.388 0.560 574 HB VAL 74 HB VAL 74 -2.446 -15.322 -0.815 575 1HG1 VAL 74 1HG1 VAL 74 -4.674 -17.373 -1.246 576 2HG1 VAL 74 2HG1 VAL 74 -2.949 -17.673 -1.218 577 3HG1 VAL 74 3HG1 VAL 74 -3.778 -17.186 0.269 578 1HG2 VAL 74 1HG2 VAL 74 -4.363 -15.624 -3.113 579 2HG2 VAL 74 2HG2 VAL 74 -3.030 -14.463 -2.933 580 3HG2 VAL 74 3HG2 VAL 74 -2.657 -16.174 -3.049 581 H VAL 75 H VAL 75 -2.757 -12.573 -0.621 582 HA VAL 75 HA VAL 75 -4.155 -11.474 -2.917 583 HB VAL 75 HB VAL 75 -3.796 -9.137 -2.221 584 1HG1 VAL 75 1HG1 VAL 75 -5.627 -10.572 -0.289 585 2HG1 VAL 75 2HG1 VAL 75 -5.681 -8.890 -0.896 586 3HG1 VAL 75 3HG1 VAL 75 -6.005 -10.222 -2.000 587 1HG2 VAL 75 1HG2 VAL 75 -3.043 -10.297 0.465 588 2HG2 VAL 75 2HG2 VAL 75 -2.186 -9.087 -0.504 589 3HG2 VAL 75 3HG2 VAL 75 -3.728 -8.666 0.275 590 H GLU 76 H GLU 76 -2.413 -9.523 -3.651 591 HA GLU 76 HA GLU 76 0.291 -10.471 -3.203 592 1HB GLU 76 1HB GLU 76 1.084 -10.318 -5.325 593 2HB GLU 76 2HB GLU 76 -0.257 -11.442 -5.353 594 1HG GLU 76 1HG GLU 76 -1.658 -10.122 -6.581 595 2HG GLU 76 2HG GLU 76 -0.794 -8.617 -6.247 596 H LEU 77 H LEU 77 1.618 -8.478 -4.586 597 HA LEU 77 HA LEU 77 0.490 -5.813 -3.809 598 1HB LEU 77 1HB LEU 77 3.293 -6.884 -4.441 599 2HB LEU 77 2HB LEU 77 2.939 -5.170 -4.530 600 HG LEU 77 HG LEU 77 2.425 -6.716 -1.972 601 1HD1 LEU 77 1HD1 LEU 77 4.803 -7.046 -2.585 602 2HD1 LEU 77 2HD1 LEU 77 4.997 -5.283 -2.738 603 3HD1 LEU 77 3HD1 LEU 77 4.626 -5.997 -1.166 604 1HD2 LEU 77 1HD2 LEU 77 1.392 -4.455 -2.223 605 2HD2 LEU 77 2HD2 LEU 77 2.647 -4.471 -0.967 606 3HD2 LEU 77 3HD2 LEU 77 2.993 -3.775 -2.558 607 H VAL 78 H VAL 78 0.299 -4.263 -5.262 608 HA VAL 78 HA VAL 78 1.323 -4.520 -7.922 609 HB VAL 78 HB VAL 78 -1.354 -3.454 -8.129 610 1HG1 VAL 78 1HG1 VAL 78 -1.554 -5.150 -9.928 611 2HG1 VAL 78 2HG1 VAL 78 0.003 -4.323 -10.007 612 3HG1 VAL 78 3HG1 VAL 78 -0.094 -5.969 -9.322 613 1HG2 VAL 78 1HG2 VAL 78 -1.522 -6.328 -7.295 614 2HG2 VAL 78 2HG2 VAL 78 -2.100 -4.934 -6.346 615 3HG2 VAL 78 3HG2 VAL 78 -2.784 -5.223 -7.939 616 H ALA 79 H ALA 79 0.854 -2.107 -8.896 617 HA ALA 79 HA ALA 79 0.666 0.026 -7.007 618 1HB ALA 79 1HB ALA 79 3.453 -0.727 -7.986 619 2HB ALA 79 2HB ALA 79 3.005 0.807 -7.216 620 3HB ALA 79 3HB ALA 79 2.899 -0.701 -6.304 621 H GLU 80 H GLU 80 -0.254 1.539 -8.329 622 HA GLU 80 HA GLU 80 0.447 1.500 -11.237 623 1HB GLU 80 1HB GLU 80 -2.163 1.083 -9.818 624 2HB GLU 80 2HB GLU 80 -2.164 2.144 -11.233 625 1HG GLU 80 1HG GLU 80 -2.818 -0.075 -11.827 626 2HG GLU 80 2HG GLU 80 -1.425 0.546 -12.700 627 H MET 81 H MET 81 1.123 3.509 -11.846 628 HA MET 81 HA MET 81 0.690 5.827 -10.133 629 1HB MET 81 1HB MET 81 2.037 7.068 -11.682 630 2HB MET 81 2HB MET 81 2.817 5.604 -11.242 631 1HG MET 81 1HG MET 81 1.909 4.597 -13.441 632 2HG MET 81 2HG MET 81 1.401 6.223 -13.861 633 1HE MET 81 1HE MET 81 4.068 7.880 -12.531 634 2HE MET 81 2HE MET 81 4.920 8.096 -14.067 635 3HE MET 81 3HE MET 81 3.158 8.305 -13.997 636 H ASP 82 H ASP 82 -1.508 4.496 -12.095 637 HA ASP 82 HA ASP 82 -2.957 7.080 -12.282 638 1HB ASP 82 1HB ASP 82 -1.779 6.032 -14.586 639 2HB ASP 82 2HB ASP 82 -3.377 5.307 -14.653 640 H GLY 83 H GLY 83 -2.881 4.212 -10.914 641 1HA GLY 83 1HA GLY 83 -4.137 2.407 -10.609 642 2HA GLY 83 2HA GLY 83 -5.562 3.481 -10.597 643 H ILE 84 H ILE 84 -3.311 2.739 -13.251 644 HA ILE 84 HA ILE 84 -4.849 2.717 -15.427 645 HB ILE 84 HB ILE 84 -2.527 0.889 -14.723 646 1HG1 ILE 84 1HG1 ILE 84 -2.634 3.460 -16.333 647 2HG1 ILE 84 2HG1 ILE 84 -2.057 3.285 -14.674 648 1HG2 ILE 84 1HG2 ILE 84 -3.844 1.236 -17.446 649 2HG2 ILE 84 2HG2 ILE 84 -2.243 0.492 -17.184 650 3HG2 ILE 84 3HG2 ILE 84 -3.656 -0.264 -16.520 651 1HD1 ILE 84 1HD1 ILE 84 -0.114 3.352 -15.993 652 2HD1 ILE 84 2HD1 ILE 84 -0.315 1.648 -15.533 653 3HD1 ILE 84 3HD1 ILE 84 -0.743 2.194 -17.171 654 H GLN 85 H GLN 85 -4.113 -0.376 -13.745 655 HA GLN 85 HA GLN 85 -6.835 -1.292 -14.280 656 1HB GLN 85 1HB GLN 85 -4.271 -2.777 -14.947 657 2HB GLN 85 2HB GLN 85 -5.785 -3.627 -14.693 658 1HG GLN 85 1HG GLN 85 -5.489 -1.428 -16.772 659 2HG GLN 85 2HG GLN 85 -5.246 -3.136 -17.094 660 1HE2 GLN 85 1HE2 GLN 85 -7.076 -4.367 -17.618 661 2HE2 GLN 85 2HE2 GLN 85 -8.695 -3.657 -17.514 662 H TYR 86 H TYR 86 -7.069 -3.367 -13.016 663 HA TYR 86 HA TYR 86 -7.121 -4.617 -11.149 664 1HB TYR 86 1HB TYR 86 -4.835 -3.092 -9.889 665 2HB TYR 86 2HB TYR 86 -5.400 -4.706 -9.542 666 HD1 TYR 86 1HD TYR 86 -2.944 -2.802 -11.272 667 HD2 TYR 86 2HD TYR 86 -5.297 -6.396 -11.652 668 HE1 TYR 86 1HE TYR 86 -1.254 -3.779 -12.824 669 HE2 TYR 86 2HE TYR 86 -3.597 -7.362 -13.166 670 HH TYR 86 HH TYR 86 -1.212 -7.074 -13.818 671 H GLY 87 H GLY 87 -6.418 -1.188 -10.365 672 1HA GLY 87 1HA GLY 87 -7.767 -0.818 -7.973 673 2HA GLY 87 2HA GLY 87 -7.666 0.382 -9.274 674 H ARG 88 H ARG 88 -9.868 -0.666 -7.350 675 HA ARG 88 HA ARG 88 -12.127 -0.786 -7.315 676 1HB ARG 88 1HB ARG 88 -11.623 1.356 -8.362 677 2HB ARG 88 2HB ARG 88 -11.768 0.672 -9.961 678 1HG ARG 88 1HG ARG 88 -14.160 0.444 -8.153 679 2HG ARG 88 2HG ARG 88 -13.671 2.050 -8.685 680 1HD ARG 88 1HD ARG 88 -13.591 1.032 -11.077 681 2HD ARG 88 2HD ARG 88 -14.604 -0.255 -10.407 682 HE ARG 88 HE ARG 88 -15.802 2.070 -9.562 683 1HH1 ARG 88 2HH2 ARG 88 -14.900 0.858 -12.746 684 2HH1 ARG 88 1HH2 ARG 88 -15.562 2.202 -13.618 685 1HH2 ARG 88 2HH1 ARG 88 -16.976 3.656 -10.685 686 2HH2 ARG 88 1HH1 ARG 88 -17.084 3.697 -12.401 687 H SER 89 H SER 89 -10.584 -2.719 -9.633 688 HA SER 89 HA SER 89 -12.854 -3.842 -10.924 689 1HB SER 89 1HB SER 89 -10.336 -3.836 -11.611 690 2HB SER 89 2HB SER 89 -10.180 -5.245 -10.530 691 HG SER 89 HG SER 89 -10.775 -6.220 -12.332 692 H GLY 90 H GLY 90 -13.053 -6.312 -10.875 693 1HA GLY 90 1HA GLY 90 -14.346 -7.114 -8.454 694 2HA GLY 90 2HA GLY 90 -14.189 -8.030 -9.943 695 H ILE 91 H ILE 91 -11.499 -6.848 -7.950 696 HA ILE 91 HA ILE 91 -10.774 -9.508 -7.024 697 HB ILE 91 HB ILE 91 -10.101 -9.608 -9.326 698 1HG1 ILE 91 1HG1 ILE 91 -7.749 -9.343 -7.614 699 2HG1 ILE 91 2HG1 ILE 91 -8.905 -10.681 -7.672 700 1HG2 ILE 91 1HG2 ILE 91 -8.259 -7.201 -8.898 701 2HG2 ILE 91 2HG2 ILE 91 -8.379 -8.170 -10.362 702 3HG2 ILE 91 3HG2 ILE 91 -9.755 -7.188 -9.871 703 1HD1 ILE 91 1HD1 ILE 91 -8.295 -11.010 -10.110 704 2HD1 ILE 91 2HD1 ILE 91 -6.943 -9.872 -9.842 705 3HD1 ILE 91 3HD1 ILE 91 -7.029 -11.381 -8.934 706 H THR 92 H THR 92 -10.073 -6.005 -7.325 707 HA THR 92 HA THR 92 -7.894 -6.221 -5.481 708 HB THR 92 HB THR 92 -9.249 -3.879 -6.833 709 HG1 THR 92 1HG THR 92 -7.864 -4.321 -8.310 710 1HG2 THR 92 1HG2 THR 92 -7.248 -2.557 -6.246 711 2HG2 THR 92 2HG2 THR 92 -8.095 -3.051 -4.774 712 3HG2 THR 92 3HG2 THR 92 -6.630 -3.897 -5.270 713 H LEU 93 H LEU 93 -7.847 -5.363 -3.390 714 HA LEU 93 HA LEU 93 -10.517 -5.354 -2.047 715 1HB LEU 93 1HB LEU 93 -7.936 -5.689 -0.578 716 2HB LEU 93 2HB LEU 93 -9.544 -6.205 -0.183 717 HG LEU 93 HG LEU 93 -7.627 -7.509 -2.146 718 1HD1 LEU 93 1HD1 LEU 93 -8.958 -8.317 0.465 719 2HD1 LEU 93 2HD1 LEU 93 -7.947 -9.397 -0.528 720 3HD1 LEU 93 3HD1 LEU 93 -7.235 -7.949 0.216 721 1HD2 LEU 93 1HD2 LEU 93 -9.850 -7.765 -3.169 722 2HD2 LEU 93 2HD2 LEU 93 -9.329 -9.293 -2.472 723 3HD2 LEU 93 3HD2 LEU 93 -10.521 -8.246 -1.613 724 H GLY 94 H GLY 94 -7.287 -3.662 -2.095 725 1HA GLY 94 1HA GLY 94 -8.471 -1.120 -1.327 726 2HA GLY 94 2HA GLY 94 -7.604 -1.953 -0.027 727 H VAL 95 H VAL 95 -6.364 0.086 -0.320 728 HA VAL 95 HA VAL 95 -4.001 -0.373 -2.006 729 HB VAL 95 HB VAL 95 -5.327 2.257 -1.300 730 1HG1 VAL 95 1HG1 VAL 95 -2.869 2.567 -1.163 731 2HG1 VAL 95 2HG1 VAL 95 -2.702 1.769 -2.745 732 3HG1 VAL 95 3HG1 VAL 95 -3.478 3.360 -2.608 733 1HG2 VAL 95 1HG2 VAL 95 -4.658 1.465 -4.058 734 2HG2 VAL 95 2HG2 VAL 95 -6.265 1.132 -3.316 735 3HG2 VAL 95 3HG2 VAL 95 -5.683 2.791 -3.500 736 H LEU 96 H LEU 96 -2.119 -0.070 -0.961 737 HA LEU 96 HA LEU 96 -2.232 -0.272 1.982 738 1HB LEU 96 1HB LEU 96 -0.023 -0.693 -0.076 739 2HB LEU 96 2HB LEU 96 0.190 -0.844 1.655 740 HG LEU 96 HG LEU 96 -1.633 -2.520 -0.064 741 1HD1 LEU 96 1HD1 LEU 96 0.753 -3.021 -0.370 742 2HD1 LEU 96 2HD1 LEU 96 0.969 -3.187 1.381 743 3HD1 LEU 96 3HD1 LEU 96 -0.039 -4.355 0.492 744 1HD2 LEU 96 1HD2 LEU 96 -2.653 -2.386 2.124 745 2HD2 LEU 96 2HD2 LEU 96 -1.879 -3.965 1.983 746 3HD2 LEU 96 3HD2 LEU 96 -1.086 -2.659 2.904 747 H VAL 97 H VAL 97 -0.996 0.903 3.291 748 HA VAL 97 HA VAL 97 0.340 3.377 2.369 749 HB VAL 97 HB VAL 97 -0.861 4.643 4.176 750 1HG1 VAL 97 1HG1 VAL 97 -2.740 3.582 2.029 751 2HG1 VAL 97 2HG1 VAL 97 -2.832 5.139 2.868 752 3HG1 VAL 97 3HG1 VAL 97 -1.494 4.814 1.757 753 1HG2 VAL 97 1HG2 VAL 97 -2.801 2.285 4.211 754 2HG2 VAL 97 2HG2 VAL 97 -1.688 2.734 5.522 755 3HG2 VAL 97 3HG2 VAL 97 -2.998 3.816 5.059 756 HA PRO 98 HA PRO 98 2.986 2.288 5.840 757 1HB PRO 98 1HB PRO 98 3.328 5.006 6.775 758 2HB PRO 98 2HB PRO 98 4.485 3.941 5.930 759 1HG PRO 98 1HG PRO 98 3.126 6.254 4.865 760 2HG PRO 98 2HG PRO 98 4.197 5.108 4.004 761 1HD PRO 98 1HD PRO 98 1.278 5.320 3.897 762 2HD PRO 98 2HD PRO 98 2.376 4.361 2.874 763 H HIS 99 H HIS 99 2.536 1.895 8.009 764 HA HIS 99 HA HIS 99 0.113 3.139 9.216 765 1HB HIS 99 1HB HIS 99 0.087 0.716 9.374 766 2HB HIS 99 2HB HIS 99 1.736 0.669 9.945 767 HD1 HIS 99 1HD HIS 99 1.520 -0.116 12.416 768 HD2 HIS 99 2HD HIS 99 -1.053 3.065 11.344 769 HE1 HIS 99 1HE HIS 99 0.493 0.746 14.565 770 H VAL 100 H VAL 100 0.558 4.911 10.399 771 HA VAL 100 HA VAL 100 3.080 5.160 11.943 772 HB VAL 100 HB VAL 100 3.113 7.544 11.215 773 1HG1 VAL 100 1HG1 VAL 100 4.592 5.957 10.147 774 2HG1 VAL 100 2HG1 VAL 100 3.337 5.501 8.973 775 3HG1 VAL 100 3HG1 VAL 100 4.017 7.130 8.964 776 1HG2 VAL 100 1HG2 VAL 100 0.929 6.663 9.261 777 2HG2 VAL 100 2HG2 VAL 100 0.838 7.901 10.544 778 3HG2 VAL 100 3HG2 VAL 100 1.864 8.153 9.138 779 H GLY 101 H GLY 101 0.679 4.173 13.091 780 1HA GLY 101 1HA GLY 101 -0.286 4.464 15.121 781 2HA GLY 101 2HA GLY 101 0.650 5.940 15.301 782 H GLU 102 H GLU 102 -1.396 5.919 12.566 783 HA GLU 102 HA GLU 102 -2.963 8.127 13.348 784 1HB GLU 102 1HB GLU 102 -3.568 6.158 11.132 785 2HB GLU 102 2HB GLU 102 -4.023 7.850 11.190 786 1HG GLU 102 1HG GLU 102 -1.139 6.928 11.037 787 2HG GLU 102 2HG GLU 102 -2.159 7.112 9.646 788 H THR 103 H THR 103 -3.371 5.154 14.539 789 HA THR 103 HA THR 103 -4.863 3.929 15.548 790 HB THR 103 HB THR 103 -6.210 6.544 15.693 791 HG1 THR 103 1HG THR 103 -5.623 6.174 17.766 792 1HG2 THR 103 1HG2 THR 103 -7.502 3.947 16.617 793 2HG2 THR 103 2HG2 THR 103 -8.008 5.584 17.101 794 3HG2 THR 103 3HG2 THR 103 -8.185 5.070 15.414 795 HA PRO 104 HA PRO 104 -6.955 2.063 12.073 796 1HB PRO 104 1HB PRO 104 -7.414 -0.308 13.751 797 2HB PRO 104 2HB PRO 104 -6.423 -0.158 12.293 798 1HG PRO 104 1HG PRO 104 -5.309 -0.493 14.814 799 2HG PRO 104 2HG PRO 104 -4.506 0.460 13.532 800 1HD PRO 104 1HD PRO 104 -6.268 1.471 15.773 801 2HD PRO 104 2HD PRO 104 -4.643 1.997 15.284 802 H ILE 105 H ILE 105 -9.033 1.335 11.594 803 HA ILE 105 HA ILE 105 -11.112 1.636 13.722 804 HB ILE 105 HB ILE 105 -12.737 1.703 11.878 805 1HG1 ILE 105 1HG1 ILE 105 -11.129 0.768 10.081 806 2HG1 ILE 105 2HG1 ILE 105 -12.314 1.983 9.655 807 1HG2 ILE 105 1HG2 ILE 105 -10.726 3.992 11.981 808 2HG2 ILE 105 2HG2 ILE 105 -12.387 4.110 11.369 809 3HG2 ILE 105 3HG2 ILE 105 -12.075 3.724 13.082 810 1HD1 ILE 105 1HD1 ILE 105 -9.467 2.783 10.266 811 2HD1 ILE 105 2HD1 ILE 105 -10.031 2.291 8.648 812 3HD1 ILE 105 3HD1 ILE 105 -10.732 3.696 9.457 813 H ALA 106 H ALA 106 -9.567 -0.605 11.435 814 HA ALA 106 HA ALA 106 -10.788 -2.868 12.778 815 1HB ALA 106 1HB ALA 106 -12.507 -2.302 11.038 816 2HB ALA 106 2HB ALA 106 -11.247 -2.393 9.789 817 3HB ALA 106 3HB ALA 106 -11.715 -3.843 10.692 818 H TYR 107 H TYR 107 -9.958 -4.878 11.183 819 HA TYR 107 HA TYR 107 -7.199 -4.352 10.225 820 1HB TYR 107 1HB TYR 107 -8.012 -6.183 12.461 821 2HB TYR 107 2HB TYR 107 -6.798 -6.747 11.330 822 HD1 TYR 107 1HD TYR 107 -7.567 -3.835 13.593 823 HD2 TYR 107 2HD TYR 107 -4.552 -6.203 11.598 824 HE1 TYR 107 1HE TYR 107 -5.813 -2.614 14.795 825 HE2 TYR 107 2HE TYR 107 -2.780 -5.000 12.862 826 HH TYR 107 HH TYR 107 -3.611 -2.672 15.424 827 H ARG 108 H ARG 108 -6.481 -5.869 8.722 828 HA ARG 108 HA ARG 108 -8.491 -7.736 7.555 829 1HB ARG 108 1HB ARG 108 -7.026 -5.505 6.247 830 2HB ARG 108 2HB ARG 108 -7.256 -6.985 5.329 831 1HG ARG 108 1HG ARG 108 -9.600 -5.645 6.722 832 2HG ARG 108 2HG ARG 108 -9.086 -5.180 5.101 833 1HD ARG 108 1HD ARG 108 -9.304 -7.532 4.337 834 2HD ARG 108 2HD ARG 108 -9.991 -7.930 5.923 835 HE ARG 108 HE ARG 108 -11.340 -5.687 4.807 836 1HH1 ARG 108 2HH2 ARG 108 -11.190 -9.193 4.307 837 2HH1 ARG 108 1HH2 ARG 108 -12.713 -9.271 3.472 838 1HH2 ARG 108 2HH1 ARG 108 -13.073 -5.697 3.506 839 2HH2 ARG 108 1HH1 ARG 108 -13.877 -7.190 3.037 840 H ASN 109 H ASN 109 -7.659 -9.665 7.747 841 HA ASN 109 HA ASN 109 -4.734 -10.042 7.424 842 1HB ASN 109 1HB ASN 109 -4.923 -12.263 8.214 843 2HB ASN 109 2HB ASN 109 -5.570 -11.160 9.405 844 1HD2 ASN 109 1HD2 ASN 109 -6.442 -13.873 7.162 845 2HD2 ASN 109 2HD2 ASN 109 -7.996 -14.073 7.921 846 H VAL 110 H VAL 110 -3.946 -11.386 5.906 847 HA VAL 110 HA VAL 110 -5.558 -12.518 3.756 848 HB VAL 110 HB VAL 110 -4.210 -11.277 2.071 849 1HG1 VAL 110 1HG1 VAL 110 -6.518 -10.546 2.616 850 2HG1 VAL 110 2HG1 VAL 110 -5.853 -9.352 3.755 851 3HG1 VAL 110 3HG1 VAL 110 -5.479 -9.228 2.033 852 1HG2 VAL 110 1HG2 VAL 110 -3.356 -9.467 4.396 853 2HG2 VAL 110 2HG2 VAL 110 -2.293 -10.534 3.460 854 3HG2 VAL 110 3HG2 VAL 110 -3.065 -9.151 2.681 855 H LEU 111 H LEU 111 -3.679 -13.430 2.132 856 HA LEU 111 HA LEU 111 -1.307 -14.216 3.747 857 1HB LEU 111 1HB LEU 111 -2.501 -15.592 1.352 858 2HB LEU 111 2HB LEU 111 -0.947 -15.974 1.989 859 HG LEU 111 HG LEU 111 -2.752 -17.566 2.292 860 1HD1 LEU 111 1HD1 LEU 111 -1.431 -16.776 4.861 861 2HD1 LEU 111 2HD1 LEU 111 -2.164 -18.349 4.504 862 3HD1 LEU 111 3HD1 LEU 111 -0.750 -17.799 3.597 863 1HD2 LEU 111 1HD2 LEU 111 -4.611 -16.111 2.870 864 2HD2 LEU 111 2HD2 LEU 111 -4.375 -17.378 4.103 865 3HD2 LEU 111 3HD2 LEU 111 -3.841 -15.726 4.424 866 H LEU 112 H LEU 112 0.586 -14.171 2.586 867 HA LEU 112 HA LEU 112 0.858 -12.402 0.200 868 1HB LEU 112 1HB LEU 112 2.200 -11.999 2.537 869 2HB LEU 112 2HB LEU 112 3.185 -13.298 1.919 870 HG LEU 112 HG LEU 112 2.786 -10.517 0.785 871 1HD1 LEU 112 1HD1 LEU 112 5.295 -12.109 1.483 872 2HD1 LEU 112 2HD1 LEU 112 5.223 -10.411 0.980 873 3HD1 LEU 112 3HD1 LEU 112 4.525 -10.900 2.525 874 1HD2 LEU 112 1HD2 LEU 112 2.712 -11.847 -1.240 875 2HD2 LEU 112 2HD2 LEU 112 4.312 -11.156 -1.105 876 3HD2 LEU 112 3HD2 LEU 112 4.085 -12.851 -0.681 877 H ARG 113 H ARG 113 1.760 -13.539 -1.623 878 HA ARG 113 HA ARG 113 1.774 -16.385 -1.639 879 1HB ARG 113 1HB ARG 113 1.198 -14.658 -3.460 880 2HB ARG 113 2HB ARG 113 2.936 -14.554 -3.759 881 1HG ARG 113 1HG ARG 113 3.040 -16.746 -4.557 882 2HG ARG 113 2HG ARG 113 1.595 -17.247 -3.686 883 1HD ARG 113 1HD ARG 113 0.353 -15.625 -5.301 884 2HD ARG 113 2HD ARG 113 1.844 -15.690 -6.258 885 HE ARG 113 HE ARG 113 0.336 -18.153 -5.470 886 1HH1 ARG 113 2HH2 ARG 113 1.809 -16.308 -8.239 887 2HH1 ARG 113 1HH2 ARG 113 1.167 -17.449 -9.379 888 1HH2 ARG 113 2HH1 ARG 113 -0.221 -19.639 -7.040 889 2HH2 ARG 113 1HH1 ARG 113 0.365 -19.498 -8.671 890 H LYS 114 H LYS 114 3.693 -15.319 0.275 891 HA LYS 114 HA LYS 114 5.830 -15.641 1.047 892 1HB LYS 114 1HB LYS 114 5.028 -17.997 0.487 893 2HB LYS 114 2HB LYS 114 5.998 -17.926 -0.982 894 1HG LYS 114 1HG LYS 114 7.997 -18.020 0.169 895 2HG LYS 114 2HG LYS 114 7.324 -17.272 1.635 896 1HD LYS 114 1HD LYS 114 6.391 -20.034 0.809 897 2HD LYS 114 2HD LYS 114 7.931 -19.814 1.654 898 1HE LYS 114 1HE LYS 114 6.754 -18.453 3.409 899 2HE LYS 114 2HE LYS 114 5.206 -18.867 2.655 900 1HZ LYS 114 1HZ LYS 114 5.610 -21.161 3.190 901 2HZ LYS 114 2HZ LYS 114 7.129 -20.810 3.794 902 3HZ LYS 114 3HZ LYS 114 5.760 -20.258 4.514 903 H ASN 115 H ASN 115 7.958 -16.584 -1.195 904 HA ASN 115 HA ASN 115 8.382 -13.726 -2.011 905 1HB ASN 115 1HB ASN 115 10.308 -15.990 -1.462 906 2HB ASN 115 2HB ASN 115 10.704 -14.778 -2.684 907 1HD2 ASN 115 1HD2 ASN 115 10.761 -15.346 0.689 908 2HD2 ASN 115 2HD2 ASN 115 11.043 -13.683 1.162 909 H GLY 116 H GLY 116 9.502 -16.684 -3.550 910 1HA GLY 116 1HA GLY 116 8.286 -17.179 -5.872 911 2HA GLY 116 2HA GLY 116 8.820 -15.482 -6.059 Start of MODEL 19 1 1H GLY 1 H GLY 1 1.391 -24.551 2.607 2 1HA GLY 1 1HA GLY 1 2.762 -22.663 1.954 3 2HA GLY 1 2HA GLY 1 1.651 -23.092 0.639 4 H HIS 2 H HIS 2 2.510 -20.640 0.440 5 HA HIS 2 HA HIS 2 2.273 -18.436 0.510 6 1HB HIS 2 1HB HIS 2 -0.578 -18.803 1.456 7 2HB HIS 2 2HB HIS 2 0.114 -17.368 0.839 8 HD1 HIS 2 1HD HIS 2 -0.714 -20.993 -0.547 9 HD2 HIS 2 2HD HIS 2 -0.482 -16.908 -1.507 10 HE1 HIS 2 1HE HIS 2 -1.769 -20.764 -2.795 11 H VAL 3 H VAL 3 1.861 -16.490 2.196 12 HA VAL 3 HA VAL 3 2.553 -17.392 4.962 13 HB VAL 3 HB VAL 3 3.637 -15.101 3.293 14 1HG1 VAL 3 1HG1 VAL 3 4.096 -15.593 6.239 15 2HG1 VAL 3 2HG1 VAL 3 5.097 -14.519 5.232 16 3HG1 VAL 3 3HG1 VAL 3 3.383 -14.158 5.456 17 1HG2 VAL 3 1HG2 VAL 3 5.145 -17.389 4.575 18 2HG2 VAL 3 2HG2 VAL 3 4.716 -17.262 2.845 19 3HG2 VAL 3 3HG2 VAL 3 5.821 -16.089 3.580 20 H GLN 4 H GLN 4 1.490 -16.161 6.540 21 HA GLN 4 HA GLN 4 -0.830 -14.638 5.533 22 1HB GLN 4 1HB GLN 4 -0.646 -16.466 7.618 23 2HB GLN 4 2HB GLN 4 -0.591 -14.914 8.475 24 1HG GLN 4 1HG GLN 4 -2.603 -14.189 7.181 25 2HG GLN 4 2HG GLN 4 -2.591 -15.752 6.357 26 1HE2 GLN 4 1HE2 GLN 4 -3.514 -14.071 9.280 27 2HE2 GLN 4 2HE2 GLN 4 -4.293 -15.431 10.043 28 H LEU 5 H LEU 5 -1.172 -12.489 5.866 29 HA LEU 5 HA LEU 5 0.714 -11.041 7.577 30 1HB LEU 5 1HB LEU 5 0.046 -10.349 4.690 31 2HB LEU 5 2HB LEU 5 0.777 -9.218 5.822 32 HG LEU 5 HG LEU 5 2.067 -11.860 5.017 33 1HD1 LEU 5 1HD1 LEU 5 3.548 -10.564 3.615 34 2HD1 LEU 5 2HD1 LEU 5 1.871 -10.229 3.123 35 3HD1 LEU 5 3HD1 LEU 5 2.747 -9.056 4.107 36 1HD2 LEU 5 1HD2 LEU 5 2.882 -11.014 7.208 37 2HD2 LEU 5 2HD2 LEU 5 4.121 -10.817 5.974 38 3HD2 LEU 5 3HD2 LEU 5 3.167 -9.416 6.505 39 H SER 6 H SER 6 -0.243 -9.303 8.687 40 HA SER 6 HA SER 6 -3.151 -8.951 8.250 41 1HB SER 6 1HB SER 6 -1.917 -8.067 10.777 42 2HB SER 6 2HB SER 6 -3.473 -8.774 10.463 43 HG SER 6 HG SER 6 -2.347 -10.812 10.178 44 H LEU 7 H LEU 7 -3.889 -6.741 8.631 45 HA LEU 7 HA LEU 7 -1.874 -4.598 8.341 46 1HB LEU 7 1HB LEU 7 -4.301 -5.038 6.540 47 2HB LEU 7 2HB LEU 7 -3.324 -3.582 6.559 48 HG LEU 7 HG LEU 7 -2.033 -6.273 5.938 49 1HD1 LEU 7 1HD1 LEU 7 -3.391 -4.548 3.893 50 2HD1 LEU 7 2HD1 LEU 7 -2.415 -5.987 3.588 51 3HD1 LEU 7 3HD1 LEU 7 -3.949 -6.133 4.457 52 1HD2 LEU 7 1HD2 LEU 7 -0.458 -4.835 4.690 53 2HD2 LEU 7 2HD2 LEU 7 -1.387 -3.397 5.160 54 3HD2 LEU 7 3HD2 LEU 7 -0.553 -4.362 6.389 55 HA PRO 8 HA PRO 8 -5.183 -2.885 11.063 56 1HB PRO 8 1HB PRO 8 -4.146 -0.403 11.443 57 2HB PRO 8 2HB PRO 8 -3.502 -1.822 12.293 58 1HG PRO 8 1HG PRO 8 -2.429 -0.509 9.788 59 2HG PRO 8 2HG PRO 8 -1.524 -0.996 11.259 60 1HD PRO 8 1HD PRO 8 -1.660 -2.605 9.055 61 2HD PRO 8 2HD PRO 8 -1.621 -3.261 10.699 62 H VAL 9 H VAL 9 -7.025 -2.046 10.199 63 HA VAL 9 HA VAL 9 -7.021 -0.871 7.486 64 HB VAL 9 HB VAL 9 -9.265 -1.516 9.448 65 1HG1 VAL 9 1HG1 VAL 9 -9.341 -0.447 6.605 66 2HG1 VAL 9 2HG1 VAL 9 -10.743 -1.217 7.399 67 3HG1 VAL 9 3HG1 VAL 9 -10.053 0.260 8.049 68 1HG2 VAL 9 1HG2 VAL 9 -9.804 -3.359 7.899 69 2HG2 VAL 9 2HG2 VAL 9 -8.380 -2.937 6.907 70 3HG2 VAL 9 3HG2 VAL 9 -8.175 -3.540 8.564 71 H LEU 10 H LEU 10 -6.802 1.306 7.328 72 HA LEU 10 HA LEU 10 -7.081 2.990 9.781 73 1HB LEU 10 1HB LEU 10 -5.081 3.223 7.503 74 2HB LEU 10 2HB LEU 10 -5.213 4.315 8.882 75 HG LEU 10 HG LEU 10 -4.459 1.380 9.161 76 1HD1 LEU 10 1HD1 LEU 10 -2.830 2.553 7.725 77 2HD1 LEU 10 2HD1 LEU 10 -2.633 3.802 8.957 78 3HD1 LEU 10 3HD1 LEU 10 -2.146 2.128 9.303 79 1HD2 LEU 10 1HD2 LEU 10 -4.087 3.751 11.044 80 2HD2 LEU 10 2HD2 LEU 10 -5.290 2.460 11.218 81 3HD2 LEU 10 3HD2 LEU 10 -3.574 2.069 11.347 82 H GLN 11 H GLN 11 -8.220 4.883 9.418 83 HA GLN 11 HA GLN 11 -9.849 5.124 7.040 84 1HB GLN 11 1HB GLN 11 -9.235 7.035 9.352 85 2HB GLN 11 2HB GLN 11 -10.212 7.480 7.964 86 1HG GLN 11 1HG GLN 11 -11.454 5.173 8.581 87 2HG GLN 11 2HG GLN 11 -10.875 5.639 10.197 88 1HE2 GLN 11 1HE2 GLN 11 -13.229 6.136 7.772 89 2HE2 GLN 11 2HE2 GLN 11 -13.953 7.610 8.401 90 H VAL 12 H VAL 12 -9.556 6.364 5.172 91 HA VAL 12 HA VAL 12 -6.828 6.984 4.515 92 HB VAL 12 HB VAL 12 -8.514 6.108 2.932 93 1HG1 VAL 12 1HG1 VAL 12 -10.509 7.384 3.383 94 2HG1 VAL 12 2HG1 VAL 12 -9.697 8.907 2.982 95 3HG1 VAL 12 3HG1 VAL 12 -9.989 7.696 1.724 96 1HG2 VAL 12 1HG2 VAL 12 -7.725 7.313 1.010 97 2HG2 VAL 12 2HG2 VAL 12 -7.262 8.715 1.998 98 3HG2 VAL 12 3HG2 VAL 12 -6.408 7.172 2.186 99 H ARG 13 H ARG 13 -9.369 8.816 6.057 100 HA ARG 13 HA ARG 13 -8.240 11.415 5.400 101 1HB ARG 13 1HB ARG 13 -9.453 12.134 7.557 102 2HB ARG 13 2HB ARG 13 -10.405 11.695 6.140 103 1HG ARG 13 1HG ARG 13 -11.170 9.707 7.065 104 2HG ARG 13 2HG ARG 13 -9.887 9.629 8.278 105 1HD ARG 13 1HD ARG 13 -11.711 11.997 8.467 106 2HD ARG 13 2HD ARG 13 -12.424 10.405 8.790 107 HE ARG 13 HE ARG 13 -9.879 10.759 10.116 108 1HH1 ARG 13 2HH2 ARG 13 -13.368 11.447 10.762 109 2HH1 ARG 13 1HH2 ARG 13 -13.267 10.618 12.263 110 1HH2 ARG 13 2HH1 ARG 13 -9.769 10.064 12.080 111 2HH2 ARG 13 1HH1 ARG 13 -11.050 10.210 13.251 112 H ASP 14 H ASP 14 -7.796 9.045 7.999 113 HA ASP 14 HA ASP 14 -6.299 10.755 9.707 114 1HB ASP 14 1HB ASP 14 -6.941 7.806 9.558 115 2HB ASP 14 2HB ASP 14 -5.599 8.304 10.564 116 H VAL 15 H VAL 15 -5.623 8.356 7.373 117 HA VAL 15 HA VAL 15 -2.768 8.211 7.389 118 HB VAL 15 HB VAL 15 -4.777 7.457 5.230 119 1HG1 VAL 15 1HG1 VAL 15 -3.190 5.989 4.343 120 2HG1 VAL 15 2HG1 VAL 15 -2.335 7.513 4.563 121 3HG1 VAL 15 3HG1 VAL 15 -2.057 6.212 5.704 122 1HG2 VAL 15 1HG2 VAL 15 -3.524 5.499 7.237 123 2HG2 VAL 15 2HG2 VAL 15 -5.069 6.233 7.572 124 3HG2 VAL 15 3HG2 VAL 15 -4.888 5.219 6.130 125 H LEU 16 H LEU 16 -2.688 10.675 7.533 126 HA LEU 16 HA LEU 16 -2.894 12.334 5.278 127 1HB LEU 16 1HB LEU 16 -0.783 12.034 7.437 128 2HB LEU 16 2HB LEU 16 -0.655 13.241 6.192 129 HG LEU 16 HG LEU 16 -3.036 12.950 8.037 130 1HD1 LEU 16 1HD1 LEU 16 -1.072 13.577 9.333 131 2HD1 LEU 16 2HD1 LEU 16 -0.725 14.918 8.221 132 3HD1 LEU 16 3HD1 LEU 16 -2.191 14.945 9.233 133 1HD2 LEU 16 1HD2 LEU 16 -3.737 14.119 6.040 134 2HD2 LEU 16 2HD2 LEU 16 -3.558 15.309 7.320 135 3HD2 LEU 16 3HD2 LEU 16 -2.279 15.143 6.073 136 H VAL 17 H VAL 17 -0.341 9.821 5.862 137 HA VAL 17 HA VAL 17 0.738 10.492 3.192 138 HB VAL 17 HB VAL 17 2.455 10.673 4.713 139 1HG1 VAL 17 1HG1 VAL 17 1.683 9.745 6.701 140 2HG1 VAL 17 2HG1 VAL 17 1.592 8.085 6.012 141 3HG1 VAL 17 3HG1 VAL 17 3.159 8.871 6.299 142 1HG2 VAL 17 1HG2 VAL 17 2.799 7.912 3.514 143 2HG2 VAL 17 2HG2 VAL 17 3.086 9.458 2.690 144 3HG2 VAL 17 3HG2 VAL 17 4.084 9.002 4.072 145 H ARG 18 H ARG 18 -0.488 9.613 1.801 146 HA ARG 18 HA ARG 18 -1.429 6.831 1.912 147 1HB ARG 18 1HB ARG 18 -2.003 9.208 0.121 148 2HB ARG 18 2HB ARG 18 -2.840 7.652 0.088 149 1HG ARG 18 1HG ARG 18 -4.145 8.169 1.838 150 2HG ARG 18 2HG ARG 18 -2.804 8.688 2.786 151 1HD ARG 18 1HD ARG 18 -2.806 10.850 1.918 152 2HD ARG 18 2HD ARG 18 -3.982 10.456 0.633 153 HE ARG 18 HE ARG 18 -5.098 9.938 3.188 154 1HH1 ARG 18 2HH2 ARG 18 -3.596 12.825 1.755 155 2HH1 ARG 18 1HH2 ARG 18 -4.641 13.903 2.616 156 1HH2 ARG 18 2HH1 ARG 18 -6.131 11.330 4.507 157 2HH2 ARG 18 1HH1 ARG 18 -5.942 13.055 4.396 158 H GLY 19 H GLY 19 1.438 8.094 0.885 159 1HA GLY 19 1HA GLY 19 1.571 6.195 -1.370 160 2HA GLY 19 2HA GLY 19 2.341 7.796 -1.468 161 H PHE 20 H PHE 20 3.410 4.946 -1.262 162 HA PHE 20 HA PHE 20 5.258 5.220 1.076 163 1HB PHE 20 1HB PHE 20 5.108 3.135 -1.133 164 2HB PHE 20 2HB PHE 20 6.294 3.205 0.159 165 HD1 PHE 20 1HD PHE 20 5.574 2.949 2.580 166 HD2 PHE 20 2HD PHE 20 3.109 1.945 -0.798 167 HE1 PHE 20 1HE PHE 20 4.231 1.422 4.002 168 HE2 PHE 20 2HE PHE 20 1.717 0.479 0.634 169 HZ PHE 20 HZ PHE 20 2.276 0.236 3.059 170 H GLY 21 H GLY 21 4.935 6.224 -2.245 171 1HA GLY 21 1HA GLY 21 7.389 7.661 -2.152 172 2HA GLY 21 2HA GLY 21 7.485 6.321 -3.315 173 H ASP 22 H ASP 22 7.740 8.563 -4.464 174 HA ASP 22 HA ASP 22 5.192 9.673 -5.332 175 1HB ASP 22 1HB ASP 22 7.058 11.197 -5.040 176 2HB ASP 22 2HB ASP 22 8.073 10.234 -6.123 177 H SER 23 H SER 23 7.451 7.239 -6.411 178 HA SER 23 HA SER 23 6.050 7.067 -9.030 179 1HB SER 23 1HB SER 23 8.868 6.469 -8.234 180 2HB SER 23 2HB SER 23 8.205 6.098 -9.842 181 HG SER 23 HG SER 23 9.350 8.219 -9.304 182 H VAL 24 H VAL 24 5.864 4.961 -10.019 183 HA VAL 24 HA VAL 24 4.499 3.145 -8.350 184 HB VAL 24 HB VAL 24 5.668 2.839 -11.152 185 1HG1 VAL 24 1HG1 VAL 24 3.579 1.096 -9.879 186 2HG1 VAL 24 2HG1 VAL 24 4.127 1.029 -11.550 187 3HG1 VAL 24 3HG1 VAL 24 5.238 0.561 -10.250 188 1HG2 VAL 24 1HG2 VAL 24 3.325 3.242 -11.785 189 2HG2 VAL 24 2HG2 VAL 24 2.911 3.465 -10.066 190 3HG2 VAL 24 3HG2 VAL 24 4.020 4.600 -10.883 191 H GLU 25 H GLU 25 7.772 2.934 -9.723 192 HA GLU 25 HA GLU 25 8.067 0.312 -8.745 193 1HB GLU 25 1HB GLU 25 9.904 2.409 -9.929 194 2HB GLU 25 2HB GLU 25 10.590 0.930 -9.230 195 1HG GLU 25 1HG GLU 25 8.529 -0.062 -10.834 196 2HG GLU 25 2HG GLU 25 9.147 1.301 -11.764 197 H GLU 26 H GLU 26 9.153 3.463 -7.562 198 HA GLU 26 HA GLU 26 10.585 2.829 -5.239 199 1HB GLU 26 1HB GLU 26 8.639 5.077 -5.894 200 2HB GLU 26 2HB GLU 26 9.519 4.998 -4.389 201 1HG GLU 26 1HG GLU 26 10.401 6.419 -6.312 202 2HG GLU 26 2HG GLU 26 11.551 5.490 -5.330 203 H ALA 27 H ALA 27 7.078 3.454 -5.605 204 HA ALA 27 HA ALA 27 6.471 3.126 -2.894 205 1HB ALA 27 1HB ALA 27 5.077 4.325 -4.533 206 2HB ALA 27 2HB ALA 27 4.664 2.787 -5.331 207 3HB ALA 27 3HB ALA 27 4.137 3.099 -3.659 208 H LEU 28 H LEU 28 6.224 0.748 -5.595 209 HA LEU 28 HA LEU 28 5.081 -1.332 -4.039 210 1HB LEU 28 1HB LEU 28 5.769 -0.988 -6.685 211 2HB LEU 28 2HB LEU 28 7.025 -2.086 -6.185 212 HG LEU 28 HG LEU 28 4.013 -2.443 -5.902 213 1HD1 LEU 28 1HD1 LEU 28 5.988 -3.945 -7.672 214 2HD1 LEU 28 2HD1 LEU 28 4.235 -4.199 -7.601 215 3HD1 LEU 28 3HD1 LEU 28 4.877 -2.669 -8.210 216 1HD2 LEU 28 1HD2 LEU 28 4.940 -3.663 -4.058 217 2HD2 LEU 28 2HD2 LEU 28 4.521 -4.844 -5.312 218 3HD2 LEU 28 3HD2 LEU 28 6.208 -4.356 -5.077 219 H SER 29 H SER 29 8.467 -0.360 -4.564 220 HA SER 29 HA SER 29 9.729 -2.637 -3.363 221 1HB SER 29 1HB SER 29 10.746 0.230 -3.584 222 2HB SER 29 2HB SER 29 11.696 -1.243 -3.397 223 HG SER 29 HG SER 29 10.208 -0.354 -5.653 224 H GLU 30 H GLU 30 9.030 0.654 -2.168 225 HA GLU 30 HA GLU 30 9.964 0.409 0.509 226 1HB GLU 30 1HB GLU 30 7.703 1.944 -0.879 227 2HB GLU 30 2HB GLU 30 8.226 2.317 0.749 228 1HG GLU 30 1HG GLU 30 10.219 2.435 -1.526 229 2HG GLU 30 2HG GLU 30 8.937 3.651 -1.402 230 H ALA 31 H ALA 31 6.749 -0.213 -1.024 231 HA ALA 31 HA ALA 31 5.303 -0.725 1.354 232 1HB ALA 31 1HB ALA 31 4.306 -0.417 -0.865 233 2HB ALA 31 2HB ALA 31 4.975 -1.949 -1.422 234 3HB ALA 31 3HB ALA 31 3.761 -1.935 -0.117 235 H ARG 32 H ARG 32 7.021 -3.073 -0.810 236 HA ARG 32 HA ARG 32 6.735 -5.381 0.857 237 1HB ARG 32 1HB ARG 32 9.163 -4.564 -0.799 238 2HB ARG 32 2HB ARG 32 8.798 -6.198 -0.284 239 1HG ARG 32 1HG ARG 32 7.087 -6.492 -1.821 240 2HG ARG 32 2HG ARG 32 6.803 -4.776 -2.027 241 1HD ARG 32 1HD ARG 32 7.964 -4.931 -3.912 242 2HD ARG 32 2HD ARG 32 9.410 -4.952 -2.925 243 HE ARG 32 HE ARG 32 7.997 -7.209 -4.208 244 1HH1 ARG 32 2HH2 ARG 32 10.921 -6.218 -2.416 245 2HH1 ARG 32 1HH2 ARG 32 11.508 -7.834 -2.232 246 1HH2 ARG 32 2HH1 ARG 32 9.078 -9.199 -4.410 247 2HH2 ARG 32 1HH1 ARG 32 10.417 -9.562 -3.335 248 H GLU 33 H GLU 33 9.012 -2.687 1.112 249 HA GLU 33 HA GLU 33 10.473 -3.895 3.193 250 1HB GLU 33 1HB GLU 33 10.464 -1.439 1.595 251 2HB GLU 33 2HB GLU 33 10.728 -1.005 3.284 252 1HG GLU 33 1HG GLU 33 12.614 -2.353 3.424 253 2HG GLU 33 2HG GLU 33 12.275 -3.262 1.955 254 H HIS 34 H HIS 34 7.576 -1.769 3.263 255 HA HIS 34 HA HIS 34 7.781 -1.327 6.165 256 1HB HIS 34 1HB HIS 34 5.696 -0.676 4.046 257 2HB HIS 34 2HB HIS 34 5.416 -0.438 5.769 258 HD1 HIS 34 1HD HIS 34 8.161 0.704 3.255 259 HD2 HIS 34 2HD HIS 34 5.900 1.984 6.576 260 HE1 HIS 34 1HE HIS 34 8.887 3.100 3.744 261 H LEU 35 H LEU 35 6.225 -3.492 3.854 262 HA LEU 35 HA LEU 35 4.546 -4.882 5.728 263 1HB LEU 35 1HB LEU 35 5.668 -5.527 2.967 264 2HB LEU 35 2HB LEU 35 4.862 -6.744 3.939 265 HG LEU 35 HG LEU 35 3.006 -4.855 4.208 266 1HD1 LEU 35 1HD1 LEU 35 3.872 -3.090 2.923 267 2HD1 LEU 35 2HD1 LEU 35 4.092 -4.171 1.498 268 3HD1 LEU 35 3HD1 LEU 35 2.482 -3.761 2.081 269 1HD2 LEU 35 1HD2 LEU 35 2.675 -7.121 3.283 270 2HD2 LEU 35 2HD2 LEU 35 1.855 -5.979 2.238 271 3HD2 LEU 35 3HD2 LEU 35 3.459 -6.630 1.764 272 H LYS 36 H LYS 36 8.045 -5.272 4.912 273 HA LYS 36 HA LYS 36 8.379 -7.726 6.352 274 1HB LYS 36 1HB LYS 36 10.069 -5.690 5.070 275 2HB LYS 36 2HB LYS 36 10.679 -6.041 6.662 276 1HG LYS 36 1HG LYS 36 11.799 -7.583 5.295 277 2HG LYS 36 2HG LYS 36 10.519 -8.515 6.081 278 1HD LYS 36 1HD LYS 36 10.351 -9.192 3.837 279 2HD LYS 36 2HD LYS 36 9.079 -7.970 4.024 280 1HE LYS 36 1HE LYS 36 10.770 -6.251 3.182 281 2HE LYS 36 2HE LYS 36 11.862 -7.592 2.816 282 1HZ LYS 36 1HZ LYS 36 9.161 -7.173 1.720 283 2HZ LYS 36 2HZ LYS 36 10.576 -6.955 0.909 284 3HZ LYS 36 3HZ LYS 36 10.070 -8.483 1.387 285 H ASN 37 H ASN 37 8.490 -4.301 7.275 286 HA ASN 37 HA ASN 37 9.138 -4.876 10.058 287 1HB ASN 37 1HB ASN 37 8.390 -2.334 8.553 288 2HB ASN 37 2HB ASN 37 8.761 -2.389 10.274 289 1HD2 ASN 37 1HD2 ASN 37 10.285 -2.993 6.977 290 2HD2 ASN 37 2HD2 ASN 37 11.865 -2.815 7.649 291 H GLY 38 H GLY 38 6.190 -4.626 8.257 292 1HA GLY 38 1HA GLY 38 4.010 -5.088 8.951 293 2HA GLY 38 2HA GLY 38 4.505 -4.960 10.654 294 H THR 39 H THR 39 5.743 -2.316 8.806 295 HA THR 39 HA THR 39 3.955 -0.454 10.189 296 HB THR 39 HB THR 39 5.703 1.168 9.405 297 HG1 THR 39 1HG THR 39 7.561 0.368 8.498 298 1HG2 THR 39 1HG2 THR 39 7.450 0.280 10.904 299 2HG2 THR 39 2HG2 THR 39 5.846 -0.104 11.543 300 3HG2 THR 39 3HG2 THR 39 6.819 -1.356 10.756 301 H CYS 40 H CYS 40 2.564 -1.915 8.362 302 HA CYS 40 HA CYS 40 1.952 -0.045 6.142 303 1HB CYS 40 1HB CYS 40 3.382 -1.879 5.284 304 2HB CYS 40 2HB CYS 40 2.283 -3.076 6.024 305 HG CYS 40 HG CYS 40 1.748 -3.152 3.558 306 H GLY 41 H GLY 41 -0.215 0.220 5.930 307 1HA GLY 41 1HA GLY 41 -2.128 -1.409 7.464 308 2HA GLY 41 2HA GLY 41 -2.204 0.343 7.480 309 H LEU 42 H LEU 42 -4.465 -0.657 6.552 310 HA LEU 42 HA LEU 42 -4.299 -0.691 3.568 311 1HB LEU 42 1HB LEU 42 -4.620 -2.966 4.573 312 2HB LEU 42 2HB LEU 42 -6.111 -2.403 5.306 313 HG LEU 42 HG LEU 42 -6.913 -1.797 2.919 314 1HD1 LEU 42 1HD1 LEU 42 -5.823 -3.006 1.062 315 2HD1 LEU 42 2HD1 LEU 42 -4.773 -1.774 1.750 316 3HD1 LEU 42 3HD1 LEU 42 -4.502 -3.467 2.163 317 1HD2 LEU 42 1HD2 LEU 42 -7.551 -4.103 2.384 318 2HD2 LEU 42 2HD2 LEU 42 -6.383 -4.709 3.597 319 3HD2 LEU 42 3HD2 LEU 42 -7.770 -3.708 4.079 320 H VAL 43 H VAL 43 -5.303 0.995 2.746 321 HA VAL 43 HA VAL 43 -7.755 2.115 3.909 322 HB VAL 43 HB VAL 43 -5.786 2.861 1.716 323 1HG1 VAL 43 1HG1 VAL 43 -7.836 3.249 0.577 324 2HG1 VAL 43 2HG1 VAL 43 -8.569 4.029 1.996 325 3HG1 VAL 43 3HG1 VAL 43 -7.219 4.804 1.125 326 1HG2 VAL 43 1HG2 VAL 43 -6.935 4.410 4.078 327 2HG2 VAL 43 2HG2 VAL 43 -5.372 3.587 4.058 328 3HG2 VAL 43 3HG2 VAL 43 -5.648 4.957 2.976 329 H GLU 44 H GLU 44 -9.746 1.740 3.039 330 HA GLU 44 HA GLU 44 -10.142 -0.595 1.307 331 1HB GLU 44 1HB GLU 44 -11.958 1.559 2.507 332 2HB GLU 44 2HB GLU 44 -12.555 0.335 1.385 333 1HG GLU 44 1HG GLU 44 -11.956 -1.468 2.856 334 2HG GLU 44 2HG GLU 44 -11.140 -0.382 3.969 335 H LEU 45 H LEU 45 -10.999 -0.499 -0.797 336 HA LEU 45 HA LEU 45 -10.580 2.041 -2.261 337 1HB LEU 45 1HB LEU 45 -11.068 -0.821 -3.058 338 2HB LEU 45 2HB LEU 45 -11.639 0.449 -4.144 339 HG LEU 45 HG LEU 45 -8.805 0.471 -3.055 340 1HD1 LEU 45 1HD1 LEU 45 -9.784 -0.798 -5.650 341 2HD1 LEU 45 2HD1 LEU 45 -8.088 -0.577 -5.160 342 3HD1 LEU 45 3HD1 LEU 45 -9.140 -1.656 -4.225 343 1HD2 LEU 45 1HD2 LEU 45 -10.104 1.722 -5.537 344 2HD2 LEU 45 2HD2 LEU 45 -9.638 2.610 -4.067 345 3HD2 LEU 45 3HD2 LEU 45 -8.405 1.877 -5.075 346 H GLU 46 H GLU 46 -12.110 3.455 -1.977 347 HA GLU 46 HA GLU 46 -14.928 2.627 -2.357 348 1HB GLU 46 1HB GLU 46 -14.076 5.105 -0.856 349 2HB GLU 46 2HB GLU 46 -15.703 4.461 -1.096 350 1HG GLU 46 1HG GLU 46 -15.188 2.558 0.382 351 2HG GLU 46 2HG GLU 46 -13.552 3.214 0.644 352 H LYS 47 H LYS 47 -15.889 5.227 -2.906 353 HA LYS 47 HA LYS 47 -14.821 5.480 -5.609 354 1HB LYS 47 1HB LYS 47 -17.296 5.477 -4.816 355 2HB LYS 47 2HB LYS 47 -17.021 7.171 -4.419 356 1HG LYS 47 1HG LYS 47 -17.165 7.786 -6.622 357 2HG LYS 47 2HG LYS 47 -16.037 6.537 -7.124 358 1HD LYS 47 1HD LYS 47 -17.862 4.843 -7.003 359 2HD LYS 47 2HD LYS 47 -19.018 6.127 -6.627 360 1HE LYS 47 1HE LYS 47 -17.348 5.877 -9.168 361 2HE LYS 47 2HE LYS 47 -19.041 5.426 -9.003 362 1HZ LYS 47 1HZ LYS 47 -17.889 8.139 -8.916 363 2HZ LYS 47 2HZ LYS 47 -19.011 7.544 -9.947 364 3HZ LYS 47 3HZ LYS 47 -19.407 7.848 -8.383 365 H GLY 48 H GLY 48 -14.943 7.567 -2.676 366 1HA GLY 48 1HA GLY 48 -13.672 9.778 -4.051 367 2HA GLY 48 2HA GLY 48 -14.051 9.648 -2.324 368 H VAL 49 H VAL 49 -12.171 6.942 -3.333 369 HA VAL 49 HA VAL 49 -10.248 7.929 -1.412 370 HB VAL 49 HB VAL 49 -10.841 5.271 -2.708 371 1HG1 VAL 49 1HG1 VAL 49 -8.441 5.131 -2.583 372 2HG1 VAL 49 2HG1 VAL 49 -8.438 5.805 -0.928 373 3HG1 VAL 49 3HG1 VAL 49 -9.125 4.196 -1.256 374 1HG2 VAL 49 1HG2 VAL 49 -11.410 4.640 -0.429 375 2HG2 VAL 49 2HG2 VAL 49 -10.717 6.131 0.211 376 3HG2 VAL 49 3HG2 VAL 49 -12.185 6.202 -0.768 377 H LEU 50 H LEU 50 -9.839 6.716 -4.739 378 HA LEU 50 HA LEU 50 -7.039 7.028 -4.846 379 1HB LEU 50 1HB LEU 50 -9.288 7.014 -6.842 380 2HB LEU 50 2HB LEU 50 -7.637 7.364 -7.387 381 HG LEU 50 HG LEU 50 -8.752 4.790 -6.271 382 1HD1 LEU 50 1HD1 LEU 50 -8.742 5.282 -8.737 383 2HD1 LEU 50 2HD1 LEU 50 -6.971 5.386 -8.679 384 3HD1 LEU 50 3HD1 LEU 50 -7.798 3.855 -8.304 385 1HD2 LEU 50 1HD2 LEU 50 -5.852 5.616 -6.241 386 2HD2 LEU 50 2HD2 LEU 50 -6.806 4.832 -4.963 387 3HD2 LEU 50 3HD2 LEU 50 -6.324 3.929 -6.395 388 HA PRO 51 HA PRO 51 -7.169 11.435 -6.325 389 1HB PRO 51 1HB PRO 51 -9.327 12.969 -6.586 390 2HB PRO 51 2HB PRO 51 -9.043 11.626 -7.717 391 1HG PRO 51 1HG PRO 51 -10.882 11.633 -5.311 392 2HG PRO 51 2HG PRO 51 -11.226 11.052 -6.965 393 1HD PRO 51 1HD PRO 51 -10.350 9.499 -4.808 394 2HD PRO 51 2HD PRO 51 -10.151 9.006 -6.499 395 H GLN 52 H GLN 52 -6.970 10.431 -3.805 396 HA GLN 52 HA GLN 52 -6.753 12.868 -2.203 397 1HB GLN 52 1HB GLN 52 -7.788 10.318 -0.903 398 2HB GLN 52 2HB GLN 52 -7.444 11.857 -0.120 399 1HG GLN 52 1HG GLN 52 -9.252 12.925 -1.472 400 2HG GLN 52 2HG GLN 52 -9.613 11.351 -2.172 401 1HE2 GLN 52 1HE2 GLN 52 -9.850 9.593 -0.277 402 2HE2 GLN 52 2HE2 GLN 52 -10.965 10.045 1.004 403 H LEU 53 H LEU 53 -5.867 9.400 -2.944 404 HA LEU 53 HA LEU 53 -3.449 9.407 -1.475 405 1HB LEU 53 1HB LEU 53 -4.777 7.905 -3.781 406 2HB LEU 53 2HB LEU 53 -3.181 7.472 -3.205 407 HG LEU 53 HG LEU 53 -3.880 6.508 -1.410 408 1HD1 LEU 53 1HD1 LEU 53 -4.974 8.412 -0.254 409 2HD1 LEU 53 2HD1 LEU 53 -6.493 7.888 -0.984 410 3HD1 LEU 53 3HD1 LEU 53 -5.568 6.802 0.103 411 1HD2 LEU 53 1HD2 LEU 53 -5.054 5.381 -3.271 412 2HD2 LEU 53 2HD2 LEU 53 -5.862 5.139 -1.705 413 3HD2 LEU 53 3HD2 LEU 53 -6.507 6.326 -2.853 414 H GLU 54 H GLU 54 -1.346 9.099 -2.627 415 HA GLU 54 HA GLU 54 -0.867 11.544 -4.035 416 1HB GLU 54 1HB GLU 54 1.120 9.307 -3.460 417 2HB GLU 54 2HB GLU 54 1.510 10.960 -3.897 418 1HG GLU 54 1HG GLU 54 -0.235 11.146 -1.650 419 2HG GLU 54 2HG GLU 54 0.848 9.838 -1.287 420 H GLN 55 H GLN 55 0.325 8.373 -5.409 421 HA GLN 55 HA GLN 55 -1.388 8.691 -7.530 422 1HB GLN 55 1HB GLN 55 0.561 10.445 -7.990 423 2HB GLN 55 2HB GLN 55 1.452 8.927 -8.399 424 1HG GLN 55 1HG GLN 55 0.528 9.754 -10.447 425 2HG GLN 55 2HG GLN 55 -0.142 8.221 -9.913 426 1HE2 GLN 55 1HE2 GLN 55 -2.241 8.067 -9.780 427 2HE2 GLN 55 2HE2 GLN 55 -3.388 9.357 -9.452 428 HA PRO 56 HA PRO 56 1.147 4.838 -8.236 429 1HB PRO 56 1HB PRO 56 3.329 4.092 -6.832 430 2HB PRO 56 2HB PRO 56 3.370 5.145 -8.286 431 1HG PRO 56 1HG PRO 56 3.708 5.916 -5.437 432 2HG PRO 56 2HG PRO 56 4.387 6.600 -6.895 433 1HD PRO 56 1HD PRO 56 2.156 7.651 -5.531 434 2HD PRO 56 2HD PRO 56 2.697 8.058 -7.186 435 H TYR 57 H TYR 57 -0.731 4.542 -7.354 436 HA TYR 57 HA TYR 57 -1.322 3.962 -4.623 437 1HB TYR 57 1HB TYR 57 -2.892 2.885 -6.993 438 2HB TYR 57 2HB TYR 57 -3.500 3.251 -5.381 439 HD1 TYR 57 1HD TYR 57 -2.710 5.945 -4.782 440 HD2 TYR 57 2HD TYR 57 -3.644 4.286 -8.633 441 HE1 TYR 57 1HE TYR 57 -3.444 8.220 -5.590 442 HE2 TYR 57 2HE TYR 57 -4.305 6.512 -9.466 443 HH TYR 57 HH TYR 57 -5.414 8.632 -8.381 444 H VAL 58 H VAL 58 -0.426 2.302 -3.528 445 HA VAL 58 HA VAL 58 0.359 -0.151 -4.926 446 HB VAL 58 HB VAL 58 0.686 0.550 -1.993 447 1HG1 VAL 58 1HG1 VAL 58 2.105 -1.559 -3.694 448 2HG1 VAL 58 2HG1 VAL 58 2.319 -1.249 -1.961 449 3HG1 VAL 58 3HG1 VAL 58 0.799 -1.920 -2.550 450 1HG2 VAL 58 1HG2 VAL 58 1.948 2.142 -3.303 451 2HG2 VAL 58 2HG2 VAL 58 3.101 0.916 -2.755 452 3HG2 VAL 58 3HG2 VAL 58 2.511 0.886 -4.420 453 H PHE 59 H PHE 59 -1.668 -1.008 -5.602 454 HA PHE 59 HA PHE 59 -3.783 -1.610 -3.691 455 1HB PHE 59 1HB PHE 59 -3.225 -2.610 -6.513 456 2HB PHE 59 2HB PHE 59 -4.743 -2.774 -5.667 457 HD1 PHE 59 1HD PHE 59 -5.525 -0.253 -4.675 458 HD2 PHE 59 2HD PHE 59 -3.371 -1.163 -8.292 459 HE1 PHE 59 1HE PHE 59 -6.368 1.820 -5.705 460 HE2 PHE 59 2HE PHE 59 -4.251 0.900 -9.341 461 HZ PHE 59 HZ PHE 59 -5.816 2.361 -8.105 462 H ILE 60 H ILE 60 -4.693 -3.607 -3.493 463 HA ILE 60 HA ILE 60 -2.881 -5.911 -3.751 464 HB ILE 60 HB ILE 60 -3.709 -6.851 -1.751 465 1HG1 ILE 60 1HG1 ILE 60 -5.320 -4.324 -1.268 466 2HG1 ILE 60 2HG1 ILE 60 -5.979 -5.933 -1.626 467 1HG2 ILE 60 1HG2 ILE 60 -2.850 -4.041 -1.171 468 2HG2 ILE 60 2HG2 ILE 60 -2.491 -5.498 -0.195 469 3HG2 ILE 60 3HG2 ILE 60 -1.748 -5.309 -1.783 470 1HD1 ILE 60 1HD1 ILE 60 -4.410 -5.252 0.865 471 2HD1 ILE 60 2HD1 ILE 60 -6.170 -5.383 0.733 472 3HD1 ILE 60 3HD1 ILE 60 -5.156 -6.814 0.466 473 H LYS 61 H LYS 61 -3.693 -7.520 -4.879 474 HA LYS 61 HA LYS 61 -6.612 -7.632 -5.363 475 1HB LYS 61 1HB LYS 61 -6.003 -8.266 -7.779 476 2HB LYS 61 2HB LYS 61 -5.963 -6.570 -7.339 477 1HG LYS 61 1HG LYS 61 -3.804 -6.432 -7.623 478 2HG LYS 61 2HG LYS 61 -3.411 -8.031 -6.970 479 1HD LYS 61 1HD LYS 61 -4.526 -8.864 -9.289 480 2HD LYS 61 2HD LYS 61 -3.976 -7.227 -9.769 481 1HE LYS 61 1HE LYS 61 -1.776 -7.670 -9.102 482 2HE LYS 61 2HE LYS 61 -2.269 -9.163 -8.259 483 1HZ LYS 61 1HZ LYS 61 -1.385 -10.054 -10.085 484 2HZ LYS 61 2HZ LYS 61 -2.783 -9.664 -10.906 485 3HZ LYS 61 3HZ LYS 61 -1.442 -8.709 -10.966 486 H ARG 62 H ARG 62 -7.444 -9.706 -5.553 487 HA ARG 62 HA ARG 62 -5.808 -11.892 -4.526 488 1HB ARG 62 1HB ARG 62 -7.916 -13.274 -4.970 489 2HB ARG 62 2HB ARG 62 -7.963 -12.035 -3.719 490 1HG ARG 62 1HG ARG 62 -9.061 -10.512 -5.125 491 2HG ARG 62 2HG ARG 62 -8.950 -11.549 -6.542 492 1HD ARG 62 1HD ARG 62 -10.600 -12.979 -5.852 493 2HD ARG 62 2HD ARG 62 -10.462 -12.501 -4.137 494 HE ARG 62 HE ARG 62 -11.537 -10.748 -6.320 495 1HH1 ARG 62 2HH2 ARG 62 -12.305 -12.439 -3.294 496 2HH1 ARG 62 1HH2 ARG 62 -13.617 -11.393 -2.936 497 1HH2 ARG 62 2HH1 ARG 62 -13.084 -9.171 -5.654 498 2HH2 ARG 62 1HH1 ARG 62 -14.120 -9.541 -4.340 499 H SER 63 H SER 63 -4.289 -11.627 -6.106 500 HA SER 63 HA SER 63 -2.995 -12.512 -7.854 501 1HB SER 63 1HB SER 63 -3.154 -14.043 -5.839 502 2HB SER 63 2HB SER 63 -4.325 -15.003 -6.787 503 HG SER 63 HG SER 63 -2.747 -15.826 -7.844 504 H ASP 64 H ASP 64 -3.813 -11.800 -9.838 505 HA ASP 64 HA ASP 64 -6.160 -12.984 -11.027 506 1HB ASP 64 1HB ASP 64 -5.491 -10.574 -11.322 507 2HB ASP 64 2HB ASP 64 -4.094 -11.101 -12.259 508 H ALA 65 H ALA 65 -5.151 -15.220 -10.841 509 HA ALA 65 HA ALA 65 -4.291 -16.040 -13.515 510 1HB ALA 65 1HB ALA 65 -2.536 -16.608 -11.091 511 2HB ALA 65 2HB ALA 65 -2.270 -17.186 -12.749 512 3HB ALA 65 3HB ALA 65 -2.137 -15.458 -12.390 513 H LEU 66 H LEU 66 -6.638 -16.503 -11.606 514 HA LEU 66 HA LEU 66 -6.242 -19.418 -11.024 515 1HB LEU 66 1HB LEU 66 -7.444 -17.216 -9.314 516 2HB LEU 66 2HB LEU 66 -7.590 -18.921 -8.919 517 HG LEU 66 HG LEU 66 -4.873 -17.574 -9.277 518 1HD1 LEU 66 1HD1 LEU 66 -6.472 -17.954 -6.721 519 2HD1 LEU 66 2HD1 LEU 66 -4.785 -17.398 -6.840 520 3HD1 LEU 66 3HD1 LEU 66 -6.090 -16.415 -7.531 521 1HD2 LEU 66 1HD2 LEU 66 -4.873 -20.055 -9.406 522 2HD2 LEU 66 2HD2 LEU 66 -4.071 -19.489 -7.943 523 3HD2 LEU 66 3HD2 LEU 66 -5.730 -20.131 -7.848 524 H SER 67 H SER 67 -8.176 -20.667 -10.788 525 HA SER 67 HA SER 67 -10.329 -19.792 -12.637 526 1HB SER 67 1HB SER 67 -10.496 -22.199 -13.094 527 2HB SER 67 2HB SER 67 -8.844 -21.617 -13.337 528 HG SER 67 HG SER 67 -9.830 -23.423 -11.546 529 H THR 68 H THR 68 -9.798 -20.543 -9.292 530 HA THR 68 HA THR 68 -12.529 -19.982 -8.670 531 HB THR 68 HB THR 68 -11.344 -22.680 -7.884 532 HG1 THR 68 1HG THR 68 -12.909 -21.982 -9.925 533 1HG2 THR 68 1HG2 THR 68 -14.037 -21.470 -7.137 534 2HG2 THR 68 2HG2 THR 68 -13.545 -23.147 -6.823 535 3HG2 THR 68 3HG2 THR 68 -12.683 -21.826 -6.034 536 H ASN 69 H ASN 69 -12.483 -19.213 -6.411 537 HA ASN 69 HA ASN 69 -9.711 -18.692 -5.443 538 1HB ASN 69 1HB ASN 69 -11.146 -16.784 -6.141 539 2HB ASN 69 2HB ASN 69 -12.301 -17.200 -4.879 540 1HD2 ASN 69 1HD2 ASN 69 -9.265 -15.549 -5.637 541 2HD2 ASN 69 2HD2 ASN 69 -8.789 -15.293 -3.972 542 H HIS 70 H HIS 70 -10.231 -21.190 -4.899 543 HA HIS 70 HA HIS 70 -11.729 -21.591 -2.406 544 1HB HIS 70 1HB HIS 70 -9.918 -23.276 -4.144 545 2HB HIS 70 2HB HIS 70 -10.092 -23.724 -2.457 546 HD1 HIS 70 1HD HIS 70 -11.621 -24.715 -5.566 547 HD2 HIS 70 2HD HIS 70 -12.992 -23.657 -1.701 548 HE1 HIS 70 1HE HIS 70 -13.927 -25.691 -5.326 549 H GLY 71 H GLY 71 -10.711 -21.968 -0.317 550 1HA GLY 71 1HA GLY 71 -9.053 -21.865 1.257 551 2HA GLY 71 2HA GLY 71 -7.852 -21.466 0.015 552 H HIS 72 H HIS 72 -7.244 -19.996 1.857 553 HA HIS 72 HA HIS 72 -8.895 -17.810 2.730 554 1HB HIS 72 1HB HIS 72 -5.886 -18.211 2.708 555 2HB HIS 72 2HB HIS 72 -6.754 -16.911 3.535 556 HD1 HIS 72 1HD HIS 72 -7.851 -20.686 3.875 557 HD2 HIS 72 2HD HIS 72 -6.132 -17.406 5.898 558 HE1 HIS 72 1HE HIS 72 -7.635 -21.388 6.275 559 H LYS 73 H LYS 73 -8.649 -15.533 2.202 560 HA LYS 73 HA LYS 73 -8.125 -14.984 -0.581 561 1HB LYS 73 1HB LYS 73 -8.817 -13.174 1.749 562 2HB LYS 73 2HB LYS 73 -8.488 -12.577 0.106 563 1HG LYS 73 1HG LYS 73 -10.213 -14.191 -0.776 564 2HG LYS 73 2HG LYS 73 -10.673 -14.558 0.885 565 1HD LYS 73 1HD LYS 73 -10.815 -11.784 -0.393 566 2HD LYS 73 2HD LYS 73 -12.145 -12.923 -0.277 567 1HE LYS 73 1HE LYS 73 -12.623 -11.716 1.577 568 2HE LYS 73 2HE LYS 73 -11.601 -12.963 2.301 569 1HZ LYS 73 1HZ LYS 73 -9.732 -11.269 2.012 570 2HZ LYS 73 2HZ LYS 73 -10.924 -10.176 1.635 571 3HZ LYS 73 3HZ LYS 73 -10.874 -10.896 3.093 572 H VAL 74 H VAL 74 -6.148 -15.531 -1.030 573 HA VAL 74 HA VAL 74 -3.722 -14.155 -0.069 574 HB VAL 74 HB VAL 74 -4.413 -15.658 -2.621 575 1HG1 VAL 74 1HG1 VAL 74 -1.988 -15.925 -3.001 576 2HG1 VAL 74 2HG1 VAL 74 -2.500 -14.258 -3.105 577 3HG1 VAL 74 3HG1 VAL 74 -1.670 -14.813 -1.635 578 1HG2 VAL 74 1HG2 VAL 74 -3.463 -17.610 -1.724 579 2HG2 VAL 74 2HG2 VAL 74 -2.685 -16.757 -0.383 580 3HG2 VAL 74 3HG2 VAL 74 -4.429 -17.009 -0.393 581 H VAL 75 H VAL 75 -2.720 -12.435 -1.172 582 HA VAL 75 HA VAL 75 -4.017 -11.357 -3.490 583 HB VAL 75 HB VAL 75 -3.822 -9.008 -2.733 584 1HG1 VAL 75 1HG1 VAL 75 -6.001 -10.255 -2.654 585 2HG1 VAL 75 2HG1 VAL 75 -5.733 -10.486 -0.912 586 3HG1 VAL 75 3HG1 VAL 75 -5.850 -8.848 -1.606 587 1HG2 VAL 75 1HG2 VAL 75 -3.853 -8.576 -0.237 588 2HG2 VAL 75 2HG2 VAL 75 -3.269 -10.224 -0.001 589 3HG2 VAL 75 3HG2 VAL 75 -2.277 -9.067 -0.916 590 H GLU 76 H GLU 76 -2.401 -9.373 -4.131 591 HA GLU 76 HA GLU 76 0.376 -10.264 -3.703 592 1HB GLU 76 1HB GLU 76 -0.866 -9.275 -6.326 593 2HB GLU 76 2HB GLU 76 0.843 -9.656 -6.041 594 1HG GLU 76 1HG GLU 76 0.182 -12.021 -5.590 595 2HG GLU 76 2HG GLU 76 -1.481 -11.631 -6.051 596 H LEU 77 H LEU 77 1.802 -8.384 -3.924 597 HA LEU 77 HA LEU 77 0.619 -5.722 -3.453 598 1HB LEU 77 1HB LEU 77 3.497 -6.703 -3.847 599 2HB LEU 77 2HB LEU 77 3.026 -5.039 -3.496 600 HG LEU 77 HG LEU 77 2.464 -7.361 -1.612 601 1HD1 LEU 77 1HD1 LEU 77 4.891 -7.010 -1.936 602 2HD1 LEU 77 2HD1 LEU 77 4.689 -5.291 -1.507 603 3HD1 LEU 77 3HD1 LEU 77 4.377 -6.563 -0.305 604 1HD2 LEU 77 1HD2 LEU 77 2.133 -5.520 0.023 605 2HD2 LEU 77 2HD2 LEU 77 2.366 -4.327 -1.276 606 3HD2 LEU 77 3HD2 LEU 77 0.982 -5.452 -1.301 607 H VAL 78 H VAL 78 0.446 -4.234 -5.135 608 HA VAL 78 HA VAL 78 1.772 -4.765 -7.716 609 HB VAL 78 HB VAL 78 -1.134 -3.869 -7.517 610 1HG1 VAL 78 1HG1 VAL 78 0.268 -5.364 -9.723 611 2HG1 VAL 78 2HG1 VAL 78 -1.413 -4.803 -9.717 612 3HG1 VAL 78 3HG1 VAL 78 -0.092 -3.613 -9.723 613 1HG2 VAL 78 1HG2 VAL 78 -0.247 -6.764 -7.634 614 2HG2 VAL 78 2HG2 VAL 78 -1.275 -5.985 -6.387 615 3HG2 VAL 78 3HG2 VAL 78 -1.854 -6.119 -8.030 616 H ALA 79 H ALA 79 1.900 -2.562 -8.863 617 HA ALA 79 HA ALA 79 1.035 -0.262 -7.262 618 1HB ALA 79 1HB ALA 79 3.314 -0.400 -6.481 619 2HB ALA 79 2HB ALA 79 3.926 -0.500 -8.152 620 3HB ALA 79 3HB ALA 79 3.137 0.978 -7.563 621 H GLU 80 H GLU 80 0.463 1.486 -8.499 622 HA GLU 80 HA GLU 80 0.599 1.353 -11.413 623 1HB GLU 80 1HB GLU 80 -1.565 0.182 -9.755 624 2HB GLU 80 2HB GLU 80 -2.151 1.588 -10.580 625 1HG GLU 80 1HG GLU 80 -0.886 -0.844 -11.866 626 2HG GLU 80 2HG GLU 80 -2.574 -0.326 -11.965 627 H MET 81 H MET 81 0.635 3.465 -12.154 628 HA MET 81 HA MET 81 0.356 5.520 -10.097 629 1HB MET 81 1HB MET 81 1.455 6.957 -11.401 630 2HB MET 81 2HB MET 81 2.175 5.460 -11.927 631 1HG MET 81 1HG MET 81 0.780 5.454 -13.952 632 2HG MET 81 2HG MET 81 -0.014 6.943 -13.436 633 1HE MET 81 1HE MET 81 2.513 8.684 -12.253 634 2HE MET 81 2HE MET 81 2.837 9.622 -13.721 635 3HE MET 81 3HE MET 81 1.154 9.300 -13.226 636 H ASP 82 H ASP 82 -1.441 4.651 -13.130 637 HA ASP 82 HA ASP 82 -3.204 6.970 -12.594 638 1HB ASP 82 1HB ASP 82 -2.363 5.973 -14.927 639 2HB ASP 82 2HB ASP 82 -3.840 4.999 -14.753 640 H GLY 83 H GLY 83 -2.941 4.140 -11.238 641 1HA GLY 83 1HA GLY 83 -3.996 2.248 -10.885 642 2HA GLY 83 2HA GLY 83 -5.488 3.146 -10.535 643 H ILE 84 H ILE 84 -3.385 2.535 -13.428 644 HA ILE 84 HA ILE 84 -5.239 2.818 -15.488 645 HB ILE 84 HB ILE 84 -2.804 1.011 -15.170 646 1HG1 ILE 84 1HG1 ILE 84 -3.080 3.590 -16.756 647 2HG1 ILE 84 2HG1 ILE 84 -2.434 3.475 -15.103 648 1HG2 ILE 84 1HG2 ILE 84 -2.833 0.801 -17.678 649 2HG2 ILE 84 2HG2 ILE 84 -4.065 -0.099 -16.766 650 3HG2 ILE 84 3HG2 ILE 84 -4.503 1.398 -17.608 651 1HD1 ILE 84 1HD1 ILE 84 -0.581 2.099 -15.798 652 2HD1 ILE 84 2HD1 ILE 84 -1.157 2.131 -17.478 653 3HD1 ILE 84 3HD1 ILE 84 -0.620 3.629 -16.676 654 H GLN 85 H GLN 85 -4.205 -0.102 -13.819 655 HA GLN 85 HA GLN 85 -6.814 -1.436 -14.349 656 1HB GLN 85 1HB GLN 85 -3.997 -2.592 -14.110 657 2HB GLN 85 2HB GLN 85 -5.443 -3.572 -13.883 658 1HG GLN 85 1HG GLN 85 -6.222 -2.986 -16.145 659 2HG GLN 85 2HG GLN 85 -4.758 -2.052 -16.424 660 1HE2 GLN 85 1HE2 GLN 85 -5.985 -4.715 -17.535 661 2HE2 GLN 85 2HE2 GLN 85 -4.587 -5.765 -17.535 662 H TYR 86 H TYR 86 -7.107 -2.896 -12.652 663 HA TYR 86 HA TYR 86 -7.463 -3.668 -10.512 664 1HB TYR 86 1HB TYR 86 -5.067 -2.136 -9.577 665 2HB TYR 86 2HB TYR 86 -5.741 -3.612 -8.912 666 HD1 TYR 86 1HD TYR 86 -5.828 -5.663 -10.657 667 HD2 TYR 86 2HD TYR 86 -3.214 -2.256 -10.999 668 HE1 TYR 86 1HE TYR 86 -4.282 -6.983 -12.089 669 HE2 TYR 86 2HE TYR 86 -1.764 -3.491 -12.564 670 HH TYR 86 HH TYR 86 -1.523 -5.529 -13.775 671 H GLY 87 H GLY 87 -6.604 -0.144 -10.380 672 1HA GLY 87 1HA GLY 87 -7.894 0.455 -7.947 673 2HA GLY 87 2HA GLY 87 -7.549 1.607 -9.243 674 H ARG 88 H ARG 88 -9.240 0.060 -11.077 675 HA ARG 88 HA ARG 88 -11.954 0.548 -9.945 676 1HB ARG 88 1HB ARG 88 -10.758 1.670 -12.290 677 2HB ARG 88 2HB ARG 88 -11.920 0.499 -12.881 678 1HG ARG 88 1HG ARG 88 -13.275 2.365 -12.593 679 2HG ARG 88 2HG ARG 88 -13.511 1.533 -11.060 680 1HD ARG 88 1HD ARG 88 -11.443 2.990 -10.251 681 2HD ARG 88 2HD ARG 88 -11.677 3.907 -11.728 682 HE ARG 88 HE ARG 88 -13.385 5.022 -10.763 683 1HH1 ARG 88 2HH2 ARG 88 -12.973 1.970 -8.945 684 2HH1 ARG 88 1HH2 ARG 88 -14.025 2.468 -7.648 685 1HH2 ARG 88 2HH1 ARG 88 -14.485 5.726 -8.799 686 2HH2 ARG 88 1HH1 ARG 88 -14.856 4.507 -7.582 687 H SER 89 H SER 89 -10.250 -2.027 -10.055 688 HA SER 89 HA SER 89 -12.165 -3.746 -11.506 689 1HB SER 89 1HB SER 89 -9.491 -4.244 -10.120 690 2HB SER 89 2HB SER 89 -10.449 -5.559 -10.778 691 HG SER 89 HG SER 89 -9.704 -3.353 -12.441 692 H GLY 90 H GLY 90 -12.728 -5.859 -10.169 693 1HA GLY 90 1HA GLY 90 -13.389 -5.121 -7.341 694 2HA GLY 90 2HA GLY 90 -14.324 -6.211 -8.344 695 H ILE 91 H ILE 91 -11.317 -7.104 -9.259 696 HA ILE 91 HA ILE 91 -10.795 -9.199 -7.409 697 HB ILE 91 HB ILE 91 -10.018 -8.990 -9.719 698 1HG1 ILE 91 1HG1 ILE 91 -7.888 -9.459 -7.703 699 2HG1 ILE 91 2HG1 ILE 91 -9.053 -10.627 -8.378 700 1HG2 ILE 91 1HG2 ILE 91 -8.220 -7.521 -10.420 701 2HG2 ILE 91 2HG2 ILE 91 -9.213 -6.480 -9.394 702 3HG2 ILE 91 3HG2 ILE 91 -7.748 -7.178 -8.754 703 1HD1 ILE 91 1HD1 ILE 91 -7.977 -10.503 -10.540 704 2HD1 ILE 91 2HD1 ILE 91 -6.832 -9.272 -9.946 705 3HD1 ILE 91 3HD1 ILE 91 -6.799 -10.926 -9.291 706 H THR 92 H THR 92 -10.272 -5.744 -7.163 707 HA THR 92 HA THR 92 -7.973 -5.986 -5.502 708 HB THR 92 HB THR 92 -9.468 -3.452 -6.174 709 HG1 THR 92 1HG THR 92 -8.555 -3.477 -8.151 710 1HG2 THR 92 1HG2 THR 92 -7.386 -3.318 -4.743 711 2HG2 THR 92 2HG2 THR 92 -6.491 -4.125 -6.045 712 3HG2 THR 92 3HG2 THR 92 -7.191 -2.515 -6.316 713 H LEU 93 H LEU 93 -7.844 -5.411 -3.292 714 HA LEU 93 HA LEU 93 -10.473 -5.343 -1.847 715 1HB LEU 93 1HB LEU 93 -7.915 -6.106 -0.541 716 2HB LEU 93 2HB LEU 93 -9.569 -6.422 -0.068 717 HG LEU 93 HG LEU 93 -8.042 -7.736 -2.361 718 1HD1 LEU 93 1HD1 LEU 93 -7.397 -8.403 -0.081 719 2HD1 LEU 93 2HD1 LEU 93 -9.100 -8.754 0.297 720 3HD1 LEU 93 3HD1 LEU 93 -8.226 -9.724 -0.925 721 1HD2 LEU 93 1HD2 LEU 93 -9.955 -9.260 -2.638 722 2HD2 LEU 93 2HD2 LEU 93 -10.893 -8.332 -1.441 723 3HD2 LEU 93 3HD2 LEU 93 -10.447 -7.612 -2.992 724 H GLY 94 H GLY 94 -7.267 -3.625 -2.062 725 1HA GLY 94 1HA GLY 94 -8.480 -1.190 -1.228 726 2HA GLY 94 2HA GLY 94 -7.622 -1.872 0.148 727 H VAL 95 H VAL 95 -6.434 0.175 -0.217 728 HA VAL 95 HA VAL 95 -4.064 -0.249 -1.944 729 HB VAL 95 HB VAL 95 -5.415 2.376 -1.141 730 1HG1 VAL 95 1HG1 VAL 95 -2.941 2.650 -0.999 731 2HG1 VAL 95 2HG1 VAL 95 -2.767 1.904 -2.599 732 3HG1 VAL 95 3HG1 VAL 95 -3.543 3.495 -2.422 733 1HG2 VAL 95 1HG2 VAL 95 -6.351 1.272 -3.190 734 2HG2 VAL 95 2HG2 VAL 95 -5.801 2.949 -3.311 735 3HG2 VAL 95 3HG2 VAL 95 -4.753 1.671 -3.919 736 H LEU 96 H LEU 96 -2.230 -0.275 -0.865 737 HA LEU 96 HA LEU 96 -2.314 -0.434 2.063 738 1HB LEU 96 1HB LEU 96 -0.187 -0.927 -0.061 739 2HB LEU 96 2HB LEU 96 0.098 -1.114 1.668 740 HG LEU 96 HG LEU 96 -2.085 -2.608 0.194 741 1HD1 LEU 96 1HD1 LEU 96 -0.401 -4.545 0.346 742 2HD1 LEU 96 2HD1 LEU 96 -0.069 -3.281 -0.845 743 3HD1 LEU 96 3HD1 LEU 96 0.820 -3.313 0.690 744 1HD2 LEU 96 1HD2 LEU 96 -2.069 -4.153 2.023 745 2HD2 LEU 96 2HD2 LEU 96 -0.737 -3.299 2.814 746 3HD2 LEU 96 3HD2 LEU 96 -2.328 -2.531 2.683 747 H VAL 97 H VAL 97 -1.113 0.875 3.387 748 HA VAL 97 HA VAL 97 0.198 3.290 2.263 749 HB VAL 97 HB VAL 97 -1.128 4.681 3.831 750 1HG1 VAL 97 1HG1 VAL 97 -3.142 4.818 2.491 751 2HG1 VAL 97 2HG1 VAL 97 -1.797 4.400 1.428 752 3HG1 VAL 97 3HG1 VAL 97 -2.959 3.154 1.928 753 1HG2 VAL 97 1HG2 VAL 97 -3.191 3.816 4.884 754 2HG2 VAL 97 2HG2 VAL 97 -2.881 2.193 4.248 755 3HG2 VAL 97 3HG2 VAL 97 -1.806 2.906 5.468 756 HA PRO 98 HA PRO 98 2.850 2.199 5.682 757 1HB PRO 98 1HB PRO 98 4.055 4.589 6.325 758 2HB PRO 98 2HB PRO 98 4.546 3.534 4.972 759 1HG PRO 98 1HG PRO 98 2.907 6.013 4.912 760 2HG PRO 98 2HG PRO 98 4.080 5.438 3.697 761 1HD PRO 98 1HD PRO 98 1.322 5.201 3.437 762 2HD PRO 98 2HD PRO 98 2.487 4.095 2.656 763 H HIS 99 H HIS 99 2.283 1.875 7.715 764 HA HIS 99 HA HIS 99 0.124 3.437 8.995 765 1HB HIS 99 1HB HIS 99 -0.109 1.083 9.335 766 2HB HIS 99 2HB HIS 99 1.579 0.840 9.637 767 HD1 HIS 99 1HD HIS 99 2.299 0.878 12.197 768 HD2 HIS 99 2HD HIS 99 -1.259 3.001 11.368 769 HE1 HIS 99 1HE HIS 99 1.317 1.580 14.410 770 H VAL 100 H VAL 100 0.581 5.069 10.378 771 HA VAL 100 HA VAL 100 3.258 5.299 11.599 772 HB VAL 100 HB VAL 100 3.350 7.680 11.046 773 1HG1 VAL 100 1HG1 VAL 100 4.422 5.956 9.581 774 2HG1 VAL 100 2HG1 VAL 100 2.993 5.991 8.533 775 3HG1 VAL 100 3HG1 VAL 100 3.999 7.445 8.720 776 1HG2 VAL 100 1HG2 VAL 100 0.992 7.158 9.201 777 2HG2 VAL 100 2HG2 VAL 100 0.910 8.118 10.687 778 3HG2 VAL 100 3HG2 VAL 100 1.924 8.668 9.341 779 H GLY 101 H GLY 101 0.928 4.219 12.775 780 1HA GLY 101 1HA GLY 101 -0.007 4.273 14.850 781 2HA GLY 101 2HA GLY 101 1.178 5.511 15.203 782 H GLU 102 H GLU 102 -1.534 5.537 12.925 783 HA GLU 102 HA GLU 102 -2.774 7.894 14.264 784 1HB GLU 102 1HB GLU 102 -3.554 6.223 11.829 785 2HB GLU 102 2HB GLU 102 -4.542 7.538 12.460 786 1HG GLU 102 1HG GLU 102 -1.659 7.851 11.512 787 2HG GLU 102 2HG GLU 102 -3.079 8.187 10.536 788 H THR 103 H THR 103 -5.046 5.470 13.102 789 HA THR 103 HA THR 103 -5.213 4.003 15.551 790 HB THR 103 HB THR 103 -6.561 6.417 15.543 791 HG1 THR 103 1HG THR 103 -7.729 4.400 17.039 792 1HG2 THR 103 1HG2 THR 103 -8.286 5.771 13.962 793 2HG2 THR 103 2HG2 THR 103 -8.680 4.335 14.942 794 3HG2 THR 103 3HG2 THR 103 -8.961 5.971 15.584 795 HA PRO 104 HA PRO 104 -6.993 1.537 12.191 796 1HB PRO 104 1HB PRO 104 -7.184 -0.839 13.767 797 2HB PRO 104 2HB PRO 104 -5.924 -0.440 12.599 798 1HG PRO 104 1HG PRO 104 -5.705 -0.514 15.497 799 2HG PRO 104 2HG PRO 104 -4.437 -0.194 14.304 800 1HD PRO 104 1HD PRO 104 -5.935 1.713 15.981 801 2HD PRO 104 2HD PRO 104 -4.457 1.989 15.023 802 H ILE 105 H ILE 105 -9.073 0.946 11.820 803 HA ILE 105 HA ILE 105 -11.031 1.065 14.072 804 HB ILE 105 HB ILE 105 -12.724 1.171 12.218 805 1HG1 ILE 105 1HG1 ILE 105 -10.917 0.401 10.422 806 2HG1 ILE 105 2HG1 ILE 105 -12.288 1.406 10.021 807 1HG2 ILE 105 1HG2 ILE 105 -12.216 3.123 13.506 808 2HG2 ILE 105 2HG2 ILE 105 -10.748 3.451 12.576 809 3HG2 ILE 105 3HG2 ILE 105 -12.333 3.599 11.808 810 1HD1 ILE 105 1HD1 ILE 105 -10.156 2.197 8.979 811 2HD1 ILE 105 2HD1 ILE 105 -10.959 3.399 9.963 812 3HD1 ILE 105 3HD1 ILE 105 -9.532 2.574 10.600 813 H ALA 106 H ALA 106 -9.448 -1.101 11.878 814 HA ALA 106 HA ALA 106 -10.777 -3.460 12.853 815 1HB ALA 106 1HB ALA 106 -11.167 -2.512 9.959 816 2HB ALA 106 2HB ALA 106 -11.538 -4.141 10.523 817 3HB ALA 106 3HB ALA 106 -12.435 -2.754 11.160 818 H TYR 107 H TYR 107 -9.768 -5.354 11.287 819 HA TYR 107 HA TYR 107 -7.054 -4.600 10.373 820 1HB TYR 107 1HB TYR 107 -7.715 -6.749 12.402 821 2HB TYR 107 2HB TYR 107 -6.307 -6.854 11.361 822 HD1 TYR 107 1HD TYR 107 -7.903 -4.772 14.021 823 HD2 TYR 107 2HD TYR 107 -4.335 -5.523 11.728 824 HE1 TYR 107 1HE TYR 107 -6.622 -3.304 15.549 825 HE2 TYR 107 2HE TYR 107 -3.057 -4.027 13.201 826 HH TYR 107 HH TYR 107 -4.542 -2.410 16.080 827 H ARG 108 H ARG 108 -6.421 -5.679 8.609 828 HA ARG 108 HA ARG 108 -8.330 -7.562 7.302 829 1HB ARG 108 1HB ARG 108 -6.946 -5.157 6.250 830 2HB ARG 108 2HB ARG 108 -7.247 -6.520 5.164 831 1HG ARG 108 1HG ARG 108 -9.494 -5.508 6.935 832 2HG ARG 108 2HG ARG 108 -9.082 -4.671 5.454 833 1HD ARG 108 1HD ARG 108 -9.414 -6.745 4.149 834 2HD ARG 108 2HD ARG 108 -9.921 -7.586 5.622 835 HE ARG 108 HE ARG 108 -11.309 -5.422 4.165 836 1HH1 ARG 108 2HH2 ARG 108 -11.364 -7.514 7.070 837 2HH1 ARG 108 1HH2 ARG 108 -12.980 -7.086 7.490 838 1HH2 ARG 108 2HH1 ARG 108 -13.459 -4.949 4.693 839 2HH2 ARG 108 1HH1 ARG 108 -14.176 -5.521 6.139 840 H ASN 109 H ASN 109 -7.530 -9.323 7.739 841 HA ASN 109 HA ASN 109 -4.613 -9.898 7.501 842 1HB ASN 109 1HB ASN 109 -6.833 -11.832 8.190 843 2HB ASN 109 2HB ASN 109 -5.093 -12.155 8.158 844 1HD2 ASN 109 1HD2 ASN 109 -5.802 -12.952 10.502 845 2HD2 ASN 109 2HD2 ASN 109 -5.695 -11.715 11.713 846 H VAL 110 H VAL 110 -3.793 -11.024 5.753 847 HA VAL 110 HA VAL 110 -5.527 -12.159 3.673 848 HB VAL 110 HB VAL 110 -4.153 -10.988 1.941 849 1HG1 VAL 110 1HG1 VAL 110 -5.731 -9.026 3.639 850 2HG1 VAL 110 2HG1 VAL 110 -5.369 -8.901 1.912 851 3HG1 VAL 110 3HG1 VAL 110 -6.432 -10.196 2.497 852 1HG2 VAL 110 1HG2 VAL 110 -3.283 -9.085 4.170 853 2HG2 VAL 110 2HG2 VAL 110 -2.229 -10.287 3.392 854 3HG2 VAL 110 3HG2 VAL 110 -2.904 -8.954 2.445 855 H LEU 111 H LEU 111 -3.842 -13.262 2.007 856 HA LEU 111 HA LEU 111 -1.423 -14.194 3.491 857 1HB LEU 111 1HB LEU 111 -3.283 -15.442 1.443 858 2HB LEU 111 2HB LEU 111 -1.619 -15.971 1.468 859 HG LEU 111 HG LEU 111 -3.239 -17.449 2.430 860 1HD1 LEU 111 1HD1 LEU 111 -1.927 -18.229 4.228 861 2HD1 LEU 111 2HD1 LEU 111 -0.790 -17.373 3.188 862 3HD1 LEU 111 3HD1 LEU 111 -1.380 -16.603 4.654 863 1HD2 LEU 111 1HD2 LEU 111 -3.620 -15.395 4.593 864 2HD2 LEU 111 2HD2 LEU 111 -4.803 -15.895 3.401 865 3HD2 LEU 111 3HD2 LEU 111 -4.227 -17.058 4.637 866 H LEU 112 H LEU 112 0.376 -14.644 2.009 867 HA LEU 112 HA LEU 112 0.686 -12.927 -0.412 868 1HB LEU 112 1HB LEU 112 1.834 -12.016 1.647 869 2HB LEU 112 2HB LEU 112 2.596 -13.539 1.910 870 HG LEU 112 HG LEU 112 3.948 -13.379 -0.079 871 1HD1 LEU 112 1HD1 LEU 112 2.433 -10.821 -0.756 872 2HD1 LEU 112 2HD1 LEU 112 3.912 -11.380 -1.569 873 3HD1 LEU 112 3HD1 LEU 112 2.444 -12.331 -1.696 874 1HD2 LEU 112 1HD2 LEU 112 5.340 -11.452 0.436 875 2HD2 LEU 112 2HD2 LEU 112 4.007 -10.678 1.307 876 3HD2 LEU 112 3HD2 LEU 112 4.737 -12.168 1.933 877 H ARG 113 H ARG 113 1.719 -14.048 -2.097 878 HA ARG 113 HA ARG 113 1.752 -16.762 -2.284 879 1HB ARG 113 1HB ARG 113 3.136 -16.483 -4.276 880 2HB ARG 113 2HB ARG 113 1.728 -15.443 -4.146 881 1HG ARG 113 1HG ARG 113 3.547 -13.694 -3.198 882 2HG ARG 113 2HG ARG 113 4.663 -14.730 -4.112 883 1HD ARG 113 1HD ARG 113 3.275 -14.463 -6.129 884 2HD ARG 113 2HD ARG 113 2.052 -13.641 -5.170 885 HE ARG 113 HE ARG 113 3.111 -11.665 -5.330 886 1HH1 ARG 113 2HH2 ARG 113 5.453 -14.106 -6.477 887 2HH1 ARG 113 1HH2 ARG 113 6.273 -13.009 -7.499 888 1HH2 ARG 113 2HH1 ARG 113 4.359 -10.169 -6.577 889 2HH2 ARG 113 1HH1 ARG 113 5.800 -10.673 -7.332 890 H LYS 114 H LYS 114 2.964 -18.397 -1.726 891 HA LYS 114 HA LYS 114 5.779 -18.555 -1.901 892 1HB LYS 114 1HB LYS 114 4.550 -18.837 0.887 893 2HB LYS 114 2HB LYS 114 5.859 -19.860 0.333 894 1HG LYS 114 1HG LYS 114 7.160 -17.671 -0.182 895 2HG LYS 114 2HG LYS 114 5.944 -16.894 0.848 896 1HD LYS 114 1HD LYS 114 6.478 -18.659 2.623 897 2HD LYS 114 2HD LYS 114 7.776 -19.234 1.601 898 1HE LYS 114 1HE LYS 114 7.797 -16.292 2.130 899 2HE LYS 114 2HE LYS 114 7.978 -17.296 3.563 900 1HZ LYS 114 1HZ LYS 114 10.107 -16.804 2.590 901 2HZ LYS 114 2HZ LYS 114 9.800 -18.432 2.543 902 3HZ LYS 114 3HZ LYS 114 9.676 -17.539 1.165 903 H ASN 115 H ASN 115 5.274 -19.969 -3.457 904 HA ASN 115 HA ASN 115 4.083 -22.575 -3.054 905 1HB ASN 115 1HB ASN 115 5.641 -23.227 -4.868 906 2HB ASN 115 2HB ASN 115 4.591 -21.888 -5.314 907 1HD2 ASN 115 1HD2 ASN 115 7.203 -22.516 -6.691 908 2HD2 ASN 115 2HD2 ASN 115 7.993 -20.956 -6.429 909 H GLY 116 H GLY 116 7.239 -20.911 -2.342 910 1HA GLY 116 1HA GLY 116 7.414 -22.216 0.122 911 2HA GLY 116 2HA GLY 116 8.545 -22.967 -1.018 Start of MODEL 20 1 1H GLY 1 H GLY 1 0.489 -22.731 0.237 2 1HA GLY 1 1HA GLY 1 2.110 -23.023 2.703 3 2HA GLY 1 2HA GLY 1 2.791 -22.508 1.161 4 H HIS 2 H HIS 2 2.877 -20.323 0.826 5 HA HIS 2 HA HIS 2 2.646 -18.116 1.188 6 1HB HIS 2 1HB HIS 2 -0.290 -18.790 1.668 7 2HB HIS 2 2HB HIS 2 0.341 -17.206 1.649 8 HD1 HIS 2 1HD HIS 2 0.447 -20.111 -0.974 9 HD2 HIS 2 2HD HIS 2 -0.057 -15.986 -0.440 10 HE1 HIS 2 1HE HIS 2 0.243 -19.106 -3.310 11 H VAL 3 H VAL 3 1.723 -16.411 2.988 12 HA VAL 3 HA VAL 3 2.268 -17.389 5.711 13 HB VAL 3 HB VAL 3 3.545 -14.938 5.584 14 1HG1 VAL 3 1HG1 VAL 3 5.619 -16.264 5.862 15 2HG1 VAL 3 2HG1 VAL 3 4.286 -17.001 6.747 16 3HG1 VAL 3 3HG1 VAL 3 4.786 -17.706 5.211 17 1HG2 VAL 3 1HG2 VAL 3 4.394 -16.314 3.038 18 2HG2 VAL 3 2HG2 VAL 3 3.506 -14.787 3.194 19 3HG2 VAL 3 3HG2 VAL 3 5.155 -14.900 3.807 20 H GLN 4 H GLN 4 0.485 -16.748 6.887 21 HA GLN 4 HA GLN 4 -1.307 -14.810 5.858 22 1HB GLN 4 1HB GLN 4 -1.683 -16.761 7.609 23 2HB GLN 4 2HB GLN 4 -1.224 -15.512 8.787 24 1HG GLN 4 1HG GLN 4 -2.987 -14.030 7.618 25 2HG GLN 4 2HG GLN 4 -3.487 -15.457 6.755 26 1HE2 GLN 4 1HE2 GLN 4 -5.573 -15.673 7.588 27 2HE2 GLN 4 2HE2 GLN 4 -5.869 -15.984 9.283 28 H LEU 5 H LEU 5 -1.620 -12.645 6.395 29 HA LEU 5 HA LEU 5 0.062 -11.311 8.363 30 1HB LEU 5 1HB LEU 5 -0.189 -10.400 5.451 31 2HB LEU 5 2HB LEU 5 0.464 -9.421 6.760 32 HG LEU 5 HG LEU 5 1.711 -11.985 5.681 33 1HD1 LEU 5 1HD1 LEU 5 2.500 -9.052 5.391 34 2HD1 LEU 5 2HD1 LEU 5 3.452 -10.441 4.834 35 3HD1 LEU 5 3HD1 LEU 5 1.861 -10.094 4.106 36 1HD2 LEU 5 1HD2 LEU 5 2.277 -11.574 8.094 37 2HD2 LEU 5 2HD2 LEU 5 3.659 -11.426 7.022 38 3HD2 LEU 5 3HD2 LEU 5 2.866 -9.965 7.655 39 H SER 6 H SER 6 -1.311 -10.470 9.661 40 HA SER 6 HA SER 6 -3.809 -9.329 8.613 41 1HB SER 6 1HB SER 6 -2.545 -9.118 11.325 42 2HB SER 6 2HB SER 6 -4.153 -8.632 10.872 43 HG SER 6 HG SER 6 -3.215 -11.320 10.662 44 H LEU 7 H LEU 7 -4.183 -7.014 8.929 45 HA LEU 7 HA LEU 7 -1.861 -5.223 9.153 46 1HB LEU 7 1HB LEU 7 -4.012 -5.189 6.976 47 2HB LEU 7 2HB LEU 7 -2.833 -3.915 7.212 48 HG LEU 7 HG LEU 7 -2.094 -6.781 6.439 49 1HD1 LEU 7 1HD1 LEU 7 -1.849 -5.870 4.169 50 2HD1 LEU 7 2HD1 LEU 7 -3.509 -5.739 4.748 51 3HD1 LEU 7 3HD1 LEU 7 -2.476 -4.298 4.740 52 1HD2 LEU 7 1HD2 LEU 7 -0.266 -5.496 7.539 53 2HD2 LEU 7 2HD2 LEU 7 0.074 -5.789 5.843 54 3HD2 LEU 7 3HD2 LEU 7 -0.480 -4.176 6.370 55 HA PRO 8 HA PRO 8 -5.303 -2.890 11.153 56 1HB PRO 8 1HB PRO 8 -4.241 -0.416 11.188 57 2HB PRO 8 2HB PRO 8 -3.670 -1.695 12.292 58 1HG PRO 8 1HG PRO 8 -2.424 -0.777 9.688 59 2HG PRO 8 2HG PRO 8 -1.621 -1.074 11.259 60 1HD PRO 8 1HD PRO 8 -1.688 -2.946 9.245 61 2HD PRO 8 2HD PRO 8 -1.691 -3.386 10.977 62 H VAL 9 H VAL 9 -6.839 -1.267 10.368 63 HA VAL 9 HA VAL 9 -6.664 -0.518 7.503 64 HB VAL 9 HB VAL 9 -9.237 -0.693 9.131 65 1HG1 VAL 9 1HG1 VAL 9 -8.700 -0.650 6.130 66 2HG1 VAL 9 2HG1 VAL 9 -10.295 -0.724 6.912 67 3HG1 VAL 9 3HG1 VAL 9 -9.289 0.717 7.103 68 1HG2 VAL 9 1HG2 VAL 9 -8.382 -3.005 9.015 69 2HG2 VAL 9 2HG2 VAL 9 -9.732 -2.825 7.893 70 3HG2 VAL 9 3HG2 VAL 9 -8.061 -2.833 7.283 71 H LEU 10 H LEU 10 -6.745 1.693 7.167 72 HA LEU 10 HA LEU 10 -6.858 3.455 9.584 73 1HB LEU 10 1HB LEU 10 -4.892 3.402 7.268 74 2HB LEU 10 2HB LEU 10 -5.029 4.723 8.433 75 HG LEU 10 HG LEU 10 -4.387 1.900 9.342 76 1HD1 LEU 10 1HD1 LEU 10 -2.690 2.573 7.696 77 2HD1 LEU 10 2HD1 LEU 10 -2.406 4.080 8.590 78 3HD1 LEU 10 3HD1 LEU 10 -2.026 2.509 9.337 79 1HD2 LEU 10 1HD2 LEU 10 -3.282 3.338 11.206 80 2HD2 LEU 10 2HD2 LEU 10 -4.216 4.686 10.555 81 3HD2 LEU 10 3HD2 LEU 10 -5.054 3.261 11.165 82 H GLN 11 H GLN 11 -7.923 5.377 9.282 83 HA GLN 11 HA GLN 11 -9.844 5.554 7.157 84 1HB GLN 11 1HB GLN 11 -9.014 7.233 9.475 85 2HB GLN 11 2HB GLN 11 -9.750 8.117 8.165 86 1HG GLN 11 1HG GLN 11 -11.121 5.640 9.090 87 2HG GLN 11 2HG GLN 11 -11.043 6.949 10.245 88 1HE2 GLN 11 1HE2 GLN 11 -12.850 5.618 8.001 89 2HE2 GLN 11 2HE2 GLN 11 -13.938 6.980 7.643 90 H VAL 12 H VAL 12 -9.912 6.900 5.309 91 HA VAL 12 HA VAL 12 -7.358 7.601 4.212 92 HB VAL 12 HB VAL 12 -9.481 6.714 3.040 93 1HG1 VAL 12 1HG1 VAL 12 -11.045 8.300 2.124 94 2HG1 VAL 12 2HG1 VAL 12 -11.044 8.452 3.887 95 3HG1 VAL 12 3HG1 VAL 12 -10.206 9.662 2.887 96 1HG2 VAL 12 1HG2 VAL 12 -7.477 7.212 1.846 97 2HG2 VAL 12 2HG2 VAL 12 -8.834 7.784 0.898 98 3HG2 VAL 12 3HG2 VAL 12 -7.855 8.954 1.804 99 H ARG 13 H ARG 13 -9.128 9.095 6.614 100 HA ARG 13 HA ARG 13 -8.033 11.754 5.938 101 1HB ARG 13 1HB ARG 13 -10.131 11.061 8.029 102 2HB ARG 13 2HB ARG 13 -9.593 12.668 7.538 103 1HG ARG 13 1HG ARG 13 -10.260 11.675 5.082 104 2HG ARG 13 2HG ARG 13 -11.329 10.679 6.110 105 1HD ARG 13 1HD ARG 13 -12.524 12.565 6.830 106 2HD ARG 13 2HD ARG 13 -11.203 13.686 6.455 107 HE ARG 13 HE ARG 13 -13.309 12.726 4.690 108 1HH1 ARG 13 2HH2 ARG 13 -9.954 14.023 4.691 109 2HH1 ARG 13 1HH2 ARG 13 -9.994 14.254 2.995 110 1HH2 ARG 13 2HH1 ARG 13 -13.391 13.526 2.505 111 2HH2 ARG 13 1HH1 ARG 13 -11.944 14.216 1.828 112 H ASP 14 H ASP 14 -7.351 9.023 7.773 113 HA ASP 14 HA ASP 14 -5.876 10.535 9.877 114 1HB ASP 14 1HB ASP 14 -6.648 7.648 9.522 115 2HB ASP 14 2HB ASP 14 -5.315 8.095 10.568 116 H VAL 15 H VAL 15 -5.440 8.343 7.194 117 HA VAL 15 HA VAL 15 -2.680 8.062 7.305 118 HB VAL 15 HB VAL 15 -4.401 7.686 4.893 119 1HG1 VAL 15 1HG1 VAL 15 -2.520 6.086 4.330 120 2HG1 VAL 15 2HG1 VAL 15 -2.081 7.793 4.269 121 3HG1 VAL 15 3HG1 VAL 15 -1.626 6.793 5.680 122 1HG2 VAL 15 1HG2 VAL 15 -5.122 6.260 6.844 123 2HG2 VAL 15 2HG2 VAL 15 -4.638 5.398 5.398 124 3HG2 VAL 15 3HG2 VAL 15 -3.516 5.531 6.794 125 H LEU 16 H LEU 16 -1.820 10.153 7.710 126 HA LEU 16 HA LEU 16 -1.679 12.235 5.692 127 1HB LEU 16 1HB LEU 16 0.287 11.137 7.734 128 2HB LEU 16 2HB LEU 16 0.711 12.422 6.606 129 HG LEU 16 HG LEU 16 -1.546 12.541 8.640 130 1HD1 LEU 16 1HD1 LEU 16 -0.046 14.131 9.800 131 2HD1 LEU 16 2HD1 LEU 16 0.762 12.556 9.573 132 3HD1 LEU 16 3HD1 LEU 16 1.172 13.939 8.524 133 1HD2 LEU 16 1HD2 LEU 16 -0.456 14.604 6.637 134 2HD2 LEU 16 2HD2 LEU 16 -2.130 14.025 6.784 135 3HD2 LEU 16 3HD2 LEU 16 -1.444 15.052 8.034 136 H VAL 17 H VAL 17 0.261 9.175 6.157 137 HA VAL 17 HA VAL 17 1.722 9.937 3.778 138 HB VAL 17 HB VAL 17 2.147 7.324 5.209 139 1HG1 VAL 17 1HG1 VAL 17 4.502 7.807 4.418 140 2HG1 VAL 17 2HG1 VAL 17 3.367 7.731 3.056 141 3HG1 VAL 17 3HG1 VAL 17 3.930 9.296 3.660 142 1HG2 VAL 17 1HG2 VAL 17 3.804 8.521 6.595 143 2HG2 VAL 17 2HG2 VAL 17 3.238 10.070 5.923 144 3HG2 VAL 17 3HG2 VAL 17 2.164 9.078 6.944 145 H ARG 18 H ARG 18 0.233 10.023 2.265 146 HA ARG 18 HA ARG 18 -1.624 7.923 1.576 147 1HB ARG 18 1HB ARG 18 -0.786 10.650 0.537 148 2HB ARG 18 2HB ARG 18 -2.096 9.731 -0.234 149 1HG ARG 18 1HG ARG 18 -2.405 9.926 2.674 150 2HG ARG 18 2HG ARG 18 -2.229 11.515 1.981 151 1HD ARG 18 1HD ARG 18 -4.576 11.051 1.904 152 2HD ARG 18 2HD ARG 18 -3.989 10.804 0.277 153 HE ARG 18 HE ARG 18 -4.171 8.499 0.500 154 1HH1 ARG 18 2HH2 ARG 18 -5.410 10.213 3.275 155 2HH1 ARG 18 1HH2 ARG 18 -5.634 8.866 4.278 156 1HH2 ARG 18 2HH1 ARG 18 -4.478 6.571 1.749 157 2HH2 ARG 18 1HH1 ARG 18 -5.222 6.650 3.306 158 H GLY 19 H GLY 19 1.650 8.187 0.895 159 1HA GLY 19 1HA GLY 19 1.540 6.720 -1.668 160 2HA GLY 19 2HA GLY 19 2.364 8.286 -1.542 161 H PHE 20 H PHE 20 2.925 4.931 -1.097 162 HA PHE 20 HA PHE 20 4.790 5.117 1.117 163 1HB PHE 20 1HB PHE 20 4.470 3.165 -1.178 164 2HB PHE 20 2HB PHE 20 5.870 3.126 -0.134 165 HD1 PHE 20 1HD PHE 20 5.681 2.585 2.349 166 HD2 PHE 20 2HD PHE 20 2.407 2.181 -0.461 167 HE1 PHE 20 1HE PHE 20 4.562 1.027 3.864 168 HE2 PHE 20 2HE PHE 20 1.337 0.564 1.041 169 HZ PHE 20 HZ PHE 20 2.396 0.001 3.243 170 H GLY 21 H GLY 21 4.930 6.036 -2.296 171 1HA GLY 21 1HA GLY 21 7.432 7.336 -2.016 172 2HA GLY 21 2HA GLY 21 7.526 5.909 -3.080 173 H ASP 22 H ASP 22 7.969 7.911 -4.559 174 HA ASP 22 HA ASP 22 5.418 9.079 -5.525 175 1HB ASP 22 1HB ASP 22 6.969 10.519 -4.239 176 2HB ASP 22 2HB ASP 22 8.224 10.212 -5.444 177 H SER 23 H SER 23 6.533 6.584 -6.424 178 HA SER 23 HA SER 23 5.875 6.968 -9.131 179 1HB SER 23 1HB SER 23 8.610 5.787 -8.533 180 2HB SER 23 2HB SER 23 7.777 5.632 -10.088 181 HG SER 23 HG SER 23 8.129 8.160 -8.897 182 H VAL 24 H VAL 24 5.212 4.586 -10.018 183 HA VAL 24 HA VAL 24 4.016 3.136 -7.967 184 HB VAL 24 HB VAL 24 3.558 1.573 -9.642 185 1HG1 VAL 24 1HG1 VAL 24 2.391 2.919 -11.211 186 2HG1 VAL 24 2HG1 VAL 24 2.340 3.664 -9.591 187 3HG1 VAL 24 3HG1 VAL 24 3.439 4.305 -10.847 188 1HG2 VAL 24 1HG2 VAL 24 4.281 1.809 -11.994 189 2HG2 VAL 24 2HG2 VAL 24 5.530 2.951 -11.447 190 3HG2 VAL 24 3HG2 VAL 24 5.538 1.244 -10.895 191 H GLU 25 H GLU 25 7.094 2.730 -9.694 192 HA GLU 25 HA GLU 25 7.533 0.237 -8.604 193 1HB GLU 25 1HB GLU 25 9.287 2.297 -9.932 194 2HB GLU 25 2HB GLU 25 10.035 0.802 -9.310 195 1HG GLU 25 1HG GLU 25 8.477 -0.523 -10.747 196 2HG GLU 25 2HG GLU 25 7.837 0.987 -11.413 197 H GLU 26 H GLU 26 8.399 3.452 -7.482 198 HA GLU 26 HA GLU 26 10.128 2.910 -5.288 199 1HB GLU 26 1HB GLU 26 8.080 5.134 -5.767 200 2HB GLU 26 2HB GLU 26 9.193 5.086 -4.404 201 1HG GLU 26 1HG GLU 26 10.238 4.912 -7.255 202 2HG GLU 26 2HG GLU 26 9.887 6.433 -6.471 203 H ALA 27 H ALA 27 6.616 3.410 -5.524 204 HA ALA 27 HA ALA 27 6.150 3.139 -2.748 205 1HB ALA 27 1HB ALA 27 4.690 4.323 -4.432 206 2HB ALA 27 2HB ALA 27 4.168 2.734 -5.049 207 3HB ALA 27 3HB ALA 27 3.801 3.234 -3.380 208 H LEU 28 H LEU 28 6.026 0.782 -5.447 209 HA LEU 28 HA LEU 28 5.045 -1.380 -3.848 210 1HB LEU 28 1HB LEU 28 5.532 -0.926 -6.560 211 2HB LEU 28 2HB LEU 28 6.741 -2.117 -6.157 212 HG LEU 28 HG LEU 28 3.740 -2.334 -5.651 213 1HD1 LEU 28 1HD1 LEU 28 4.391 -2.479 -8.046 214 2HD1 LEU 28 2HD1 LEU 28 5.490 -3.804 -7.666 215 3HD1 LEU 28 3HD1 LEU 28 3.728 -3.999 -7.444 216 1HD2 LEU 28 1HD2 LEU 28 4.304 -4.789 -5.282 217 2HD2 LEU 28 2HD2 LEU 28 5.993 -4.235 -5.041 218 3HD2 LEU 28 3HD2 LEU 28 4.700 -3.645 -3.984 219 H SER 29 H SER 29 8.357 -0.179 -4.468 220 HA SER 29 HA SER 29 9.760 -2.452 -3.351 221 1HB SER 29 1HB SER 29 10.463 0.470 -3.833 222 2HB SER 29 2HB SER 29 11.503 -0.557 -2.853 223 HG SER 29 HG SER 29 12.223 -0.644 -4.859 224 H GLU 30 H GLU 30 8.956 0.774 -2.043 225 HA GLU 30 HA GLU 30 9.819 0.449 0.607 226 1HB GLU 30 1HB GLU 30 7.504 1.913 -0.743 227 2HB GLU 30 2HB GLU 30 7.866 2.179 0.952 228 1HG GLU 30 1HG GLU 30 9.999 2.631 -1.140 229 2HG GLU 30 2HG GLU 30 8.674 3.755 -0.940 230 H ALA 31 H ALA 31 6.591 -0.152 -0.847 231 HA ALA 31 HA ALA 31 5.185 -1.116 1.374 232 1HB ALA 31 1HB ALA 31 5.198 -1.848 -1.562 233 2HB ALA 31 2HB ALA 31 3.987 -2.435 -0.409 234 3HB ALA 31 3HB ALA 31 4.175 -0.682 -0.719 235 H ARG 32 H ARG 32 7.149 -3.151 -0.903 236 HA ARG 32 HA ARG 32 6.921 -5.485 0.767 237 1HB ARG 32 1HB ARG 32 8.886 -4.724 -1.443 238 2HB ARG 32 2HB ARG 32 8.836 -6.323 -0.686 239 1HG ARG 32 1HG ARG 32 6.564 -6.699 -1.428 240 2HG ARG 32 2HG ARG 32 6.422 -5.033 -2.023 241 1HD ARG 32 1HD ARG 32 6.688 -6.473 -3.901 242 2HD ARG 32 2HD ARG 32 8.148 -5.482 -3.725 243 HE ARG 32 HE ARG 32 8.424 -7.988 -2.344 244 1HH1 ARG 32 2HH2 ARG 32 8.233 -6.910 -5.743 245 2HH1 ARG 32 1HH2 ARG 32 9.711 -7.736 -6.179 246 1HH2 ARG 32 2HH1 ARG 32 10.380 -9.042 -3.016 247 2HH2 ARG 32 1HH1 ARG 32 10.753 -9.083 -4.728 248 H GLU 33 H GLU 33 8.841 -2.687 1.311 249 HA GLU 33 HA GLU 33 10.659 -4.081 3.132 250 1HB GLU 33 1HB GLU 33 10.332 -1.392 1.867 251 2HB GLU 33 2HB GLU 33 10.854 -1.316 3.550 252 1HG GLU 33 1HG GLU 33 12.816 -2.280 3.123 253 2HG GLU 33 2HG GLU 33 12.183 -3.331 1.841 254 H HIS 34 H HIS 34 7.707 -2.206 3.236 255 HA HIS 34 HA HIS 34 7.899 -1.686 6.138 256 1HB HIS 34 1HB HIS 34 5.931 -0.941 3.934 257 2HB HIS 34 2HB HIS 34 5.584 -0.682 5.641 258 HD1 HIS 34 1HD HIS 34 8.578 0.284 3.313 259 HD2 HIS 34 2HD HIS 34 6.116 1.708 6.405 260 HE1 HIS 34 1HE HIS 34 9.450 2.604 3.901 261 H LEU 35 H LEU 35 6.341 -3.866 3.832 262 HA LEU 35 HA LEU 35 4.643 -5.214 5.705 263 1HB LEU 35 1HB LEU 35 6.069 -6.025 3.117 264 2HB LEU 35 2HB LEU 35 5.303 -7.241 4.132 265 HG LEU 35 HG LEU 35 3.292 -5.535 4.119 266 1HD1 LEU 35 1HD1 LEU 35 2.837 -4.543 1.968 267 2HD1 LEU 35 2HD1 LEU 35 4.110 -3.777 2.914 268 3HD1 LEU 35 3HD1 LEU 35 4.526 -4.828 1.513 269 1HD2 LEU 35 1HD2 LEU 35 3.179 -7.882 3.308 270 2HD2 LEU 35 2HD2 LEU 35 2.414 -6.852 2.091 271 3HD2 LEU 35 3HD2 LEU 35 4.078 -7.431 1.841 272 H LYS 36 H LYS 36 8.111 -5.748 4.831 273 HA LYS 36 HA LYS 36 8.446 -8.057 6.366 274 1HB LYS 36 1HB LYS 36 9.730 -7.054 4.403 275 2HB LYS 36 2HB LYS 36 10.568 -6.046 5.572 276 1HG LYS 36 1HG LYS 36 10.378 -9.068 5.946 277 2HG LYS 36 2HG LYS 36 11.455 -8.390 4.748 278 1HD LYS 36 1HD LYS 36 11.539 -7.637 7.687 279 2HD LYS 36 2HD LYS 36 12.542 -8.900 6.980 280 1HE LYS 36 1HE LYS 36 12.503 -6.066 5.882 281 2HE LYS 36 2HE LYS 36 13.488 -6.481 7.282 282 1HZ LYS 36 1HZ LYS 36 14.682 -6.580 5.227 283 2HZ LYS 36 2HZ LYS 36 14.694 -8.039 6.011 284 3HZ LYS 36 3HZ LYS 36 13.751 -7.806 4.657 285 H ASN 37 H ASN 37 8.974 -4.634 7.147 286 HA ASN 37 HA ASN 37 9.888 -5.130 9.877 287 1HB ASN 37 1HB ASN 37 8.818 -2.634 8.482 288 2HB ASN 37 2HB ASN 37 9.357 -2.659 10.151 289 1HD2 ASN 37 1HD2 ASN 37 10.390 -2.702 6.793 290 2HD2 ASN 37 2HD2 ASN 37 12.072 -2.550 7.193 291 H GLY 38 H GLY 38 6.865 -4.246 8.309 292 1HA GLY 38 1HA GLY 38 4.732 -5.121 9.005 293 2HA GLY 38 2HA GLY 38 5.264 -5.171 10.682 294 H THR 39 H THR 39 5.886 -2.429 8.527 295 HA THR 39 HA THR 39 4.215 -0.585 10.125 296 HB THR 39 HB THR 39 5.910 1.043 9.034 297 HG1 THR 39 1HG THR 39 7.776 0.124 8.227 298 1HG2 THR 39 1HG2 THR 39 7.674 0.504 10.669 299 2HG2 THR 39 2HG2 THR 39 6.079 0.302 11.405 300 3HG2 THR 39 3HG2 THR 39 7.020 -1.118 10.884 301 H CYS 40 H CYS 40 2.912 -2.307 8.214 302 HA CYS 40 HA CYS 40 2.131 -0.300 6.154 303 1HB CYS 40 1HB CYS 40 3.312 -2.166 5.175 304 2HB CYS 40 2HB CYS 40 2.266 -3.329 6.021 305 HG CYS 40 HG CYS 40 0.010 -2.063 4.867 306 H GLY 41 H GLY 41 -0.147 -0.139 5.781 307 1HA GLY 41 1HA GLY 41 -2.041 -1.738 7.367 308 2HA GLY 41 2HA GLY 41 -2.109 0.013 7.500 309 H LEU 42 H LEU 42 -4.359 -0.927 6.560 310 HA LEU 42 HA LEU 42 -4.340 -1.099 3.582 311 1HB LEU 42 1HB LEU 42 -5.029 -3.143 4.927 312 2HB LEU 42 2HB LEU 42 -6.298 -2.169 5.650 313 HG LEU 42 HG LEU 42 -7.214 -1.843 3.231 314 1HD1 LEU 42 1HD1 LEU 42 -6.649 -3.703 1.656 315 2HD1 LEU 42 2HD1 LEU 42 -5.275 -2.651 1.944 316 3HD1 LEU 42 3HD1 LEU 42 -5.347 -4.216 2.751 317 1HD2 LEU 42 1HD2 LEU 42 -8.428 -3.958 3.311 318 2HD2 LEU 42 2HD2 LEU 42 -7.296 -4.574 4.549 319 3HD2 LEU 42 3HD2 LEU 42 -8.352 -3.198 4.894 320 H VAL 43 H VAL 43 -5.872 0.029 2.426 321 HA VAL 43 HA VAL 43 -7.828 1.789 3.755 322 HB VAL 43 HB VAL 43 -5.851 2.422 1.520 323 1HG1 VAL 43 1HG1 VAL 43 -8.065 3.220 0.767 324 2HG1 VAL 43 2HG1 VAL 43 -8.256 4.121 2.287 325 3HG1 VAL 43 3HG1 VAL 43 -6.976 4.560 1.136 326 1HG2 VAL 43 1HG2 VAL 43 -5.306 4.385 2.904 327 2HG2 VAL 43 2HG2 VAL 43 -6.503 3.880 4.116 328 3HG2 VAL 43 3HG2 VAL 43 -5.066 2.895 3.819 329 H GLU 44 H GLU 44 -9.801 1.030 3.133 330 HA GLU 44 HA GLU 44 -10.074 -0.943 1.027 331 1HB GLU 44 1HB GLU 44 -12.238 0.729 2.326 332 2HB GLU 44 2HB GLU 44 -12.454 -0.790 1.469 333 1HG GLU 44 1HG GLU 44 -11.308 -2.025 3.236 334 2HG GLU 44 2HG GLU 44 -10.914 -0.520 4.099 335 H LEU 45 H LEU 45 -11.235 -0.613 -0.938 336 HA LEU 45 HA LEU 45 -10.845 2.099 -2.108 337 1HB LEU 45 1HB LEU 45 -11.216 -0.652 -3.290 338 2HB LEU 45 2HB LEU 45 -11.445 0.801 -4.266 339 HG LEU 45 HG LEU 45 -8.906 0.303 -2.642 340 1HD1 LEU 45 1HD1 LEU 45 -7.798 -0.418 -4.701 341 2HD1 LEU 45 2HD1 LEU 45 -9.159 -1.468 -4.302 342 3HD1 LEU 45 3HD1 LEU 45 -9.346 -0.261 -5.584 343 1HD2 LEU 45 1HD2 LEU 45 -9.749 2.386 -4.663 344 2HD2 LEU 45 2HD2 LEU 45 -9.009 2.608 -3.078 345 3HD2 LEU 45 3HD2 LEU 45 -8.040 2.013 -4.411 346 H GLU 46 H GLU 46 -12.405 3.196 -3.308 347 HA GLU 46 HA GLU 46 -15.213 2.656 -2.695 348 1HB GLU 46 1HB GLU 46 -13.527 4.901 -1.546 349 2HB GLU 46 2HB GLU 46 -15.207 5.161 -1.813 350 1HG GLU 46 1HG GLU 46 -15.351 2.811 -0.418 351 2HG GLU 46 2HG GLU 46 -13.899 3.533 0.288 352 H LYS 47 H LYS 47 -16.427 5.019 -3.539 353 HA LYS 47 HA LYS 47 -15.493 5.550 -6.257 354 1HB LYS 47 1HB LYS 47 -17.910 5.779 -5.481 355 2HB LYS 47 2HB LYS 47 -17.405 7.142 -4.512 356 1HG LYS 47 1HG LYS 47 -18.136 8.270 -6.313 357 2HG LYS 47 2HG LYS 47 -16.477 8.097 -6.839 358 1HD LYS 47 1HD LYS 47 -17.077 6.324 -8.365 359 2HD LYS 47 2HD LYS 47 -18.680 6.138 -7.610 360 1HE LYS 47 1HE LYS 47 -19.317 8.386 -8.373 361 2HE LYS 47 2HE LYS 47 -17.734 8.595 -9.132 362 1HZ LYS 47 1HZ LYS 47 -18.259 6.765 -10.608 363 2HZ LYS 47 2HZ LYS 47 -19.704 6.505 -9.868 364 3HZ LYS 47 3HZ LYS 47 -19.446 7.889 -10.701 365 H GLY 48 H GLY 48 -15.517 7.321 -3.154 366 1HA GLY 48 1HA GLY 48 -13.966 9.481 -4.318 367 2HA GLY 48 2HA GLY 48 -14.852 9.468 -2.793 368 H VAL 49 H VAL 49 -12.724 6.746 -3.017 369 HA VAL 49 HA VAL 49 -10.833 8.001 -1.143 370 HB VAL 49 HB VAL 49 -11.362 5.258 -2.189 371 1HG1 VAL 49 1HG1 VAL 49 -8.815 5.940 -0.677 372 2HG1 VAL 49 2HG1 VAL 49 -9.436 4.305 -0.980 373 3HG1 VAL 49 3HG1 VAL 49 -8.914 5.304 -2.337 374 1HG2 VAL 49 1HG2 VAL 49 -12.475 6.235 -0.093 375 2HG2 VAL 49 2HG2 VAL 49 -11.592 4.724 0.189 376 3HG2 VAL 49 3HG2 VAL 49 -10.877 6.275 0.657 377 H LEU 50 H LEU 50 -10.538 6.433 -4.385 378 HA LEU 50 HA LEU 50 -7.983 7.102 -5.002 379 1HB LEU 50 1HB LEU 50 -10.509 7.033 -6.629 380 2HB LEU 50 2HB LEU 50 -9.027 7.569 -7.386 381 HG LEU 50 HG LEU 50 -9.949 4.862 -6.770 382 1HD1 LEU 50 1HD1 LEU 50 -7.909 5.973 -8.716 383 2HD1 LEU 50 2HD1 LEU 50 -8.506 4.305 -8.702 384 3HD1 LEU 50 3HD1 LEU 50 -9.608 5.647 -9.024 385 1HD2 LEU 50 1HD2 LEU 50 -7.592 3.920 -6.500 386 2HD2 LEU 50 2HD2 LEU 50 -7.088 5.538 -6.061 387 3HD2 LEU 50 3HD2 LEU 50 -8.298 4.707 -5.074 388 HA PRO 51 HA PRO 51 -8.575 11.612 -6.228 389 1HB PRO 51 1HB PRO 51 -10.869 12.980 -6.074 390 2HB PRO 51 2HB PRO 51 -10.619 11.750 -7.345 391 1HG PRO 51 1HG PRO 51 -12.130 11.445 -4.734 392 2HG PRO 51 2HG PRO 51 -12.634 10.933 -6.370 393 1HD PRO 51 1HD PRO 51 -11.341 9.356 -4.457 394 2HD PRO 51 2HD PRO 51 -11.366 8.934 -6.161 395 H GLN 52 H GLN 52 -8.007 10.479 -3.765 396 HA GLN 52 HA GLN 52 -7.674 12.887 -2.150 397 1HB GLN 52 1HB GLN 52 -8.575 10.257 -0.863 398 2HB GLN 52 2HB GLN 52 -8.014 11.688 -0.023 399 1HG GLN 52 1HG GLN 52 -9.903 12.986 -1.001 400 2HG GLN 52 2HG GLN 52 -10.525 11.505 -1.729 401 1HE2 GLN 52 1HE2 GLN 52 -11.970 10.308 -0.491 402 2HE2 GLN 52 2HE2 GLN 52 -12.150 10.492 1.267 403 H LEU 53 H LEU 53 -6.665 9.623 -3.250 404 HA LEU 53 HA LEU 53 -4.267 9.592 -1.544 405 1HB LEU 53 1HB LEU 53 -5.433 7.813 -3.715 406 2HB LEU 53 2HB LEU 53 -3.791 7.596 -3.157 407 HG LEU 53 HG LEU 53 -5.680 6.145 -2.118 408 1HD1 LEU 53 1HD1 LEU 53 -3.410 5.969 -1.406 409 2HD1 LEU 53 2HD1 LEU 53 -3.476 7.468 -0.503 410 3HD1 LEU 53 3HD1 LEU 53 -4.424 6.030 0.030 411 1HD2 LEU 53 1HD2 LEU 53 -6.165 8.558 -0.417 412 2HD2 LEU 53 2HD2 LEU 53 -7.257 7.697 -1.480 413 3HD2 LEU 53 3HD2 LEU 53 -6.625 6.861 -0.084 414 H GLU 54 H GLU 54 -2.072 9.404 -2.545 415 HA GLU 54 HA GLU 54 -1.419 11.748 -4.037 416 1HB GLU 54 1HB GLU 54 0.151 9.309 -3.194 417 2HB GLU 54 2HB GLU 54 0.908 10.690 -3.956 418 1HG GLU 54 1HG GLU 54 -0.844 11.047 -1.534 419 2HG GLU 54 2HG GLU 54 0.794 10.430 -1.317 420 H GLN 55 H GLN 55 -0.184 8.611 -5.185 421 HA GLN 55 HA GLN 55 -1.740 8.786 -7.609 422 1HB GLN 55 1HB GLN 55 0.831 10.151 -7.397 423 2HB GLN 55 2HB GLN 55 0.831 8.861 -8.659 424 1HG GLN 55 1HG GLN 55 -1.579 10.491 -8.895 425 2HG GLN 55 2HG GLN 55 -0.175 11.530 -8.813 426 1HE2 GLN 55 1HE2 GLN 55 -1.657 8.785 -10.552 427 2HE2 GLN 55 2HE2 GLN 55 -0.656 8.926 -11.983 428 HA PRO 56 HA PRO 56 0.844 4.948 -8.018 429 1HB PRO 56 1HB PRO 56 3.074 4.328 -6.668 430 2HB PRO 56 2HB PRO 56 3.057 5.413 -8.089 431 1HG PRO 56 1HG PRO 56 3.198 6.207 -5.194 432 2HG PRO 56 2HG PRO 56 4.114 6.859 -6.571 433 1HD PRO 56 1HD PRO 56 1.858 8.115 -5.650 434 2HD PRO 56 2HD PRO 56 2.362 8.127 -7.368 435 H TYR 57 H TYR 57 -1.085 4.509 -7.110 436 HA TYR 57 HA TYR 57 -1.416 3.889 -4.274 437 1HB TYR 57 1HB TYR 57 -3.276 2.898 -6.452 438 2HB TYR 57 2HB TYR 57 -3.639 3.221 -4.773 439 HD1 TYR 57 1HD TYR 57 -2.382 6.083 -4.613 440 HD2 TYR 57 2HD TYR 57 -4.962 4.136 -7.447 441 HE1 TYR 57 1HE TYR 57 -3.204 8.304 -5.430 442 HE2 TYR 57 2HE TYR 57 -5.839 6.340 -8.168 443 HH TYR 57 HH TYR 57 -5.316 8.672 -8.234 444 H VAL 58 H VAL 58 -0.310 2.249 -3.420 445 HA VAL 58 HA VAL 58 0.401 -0.167 -4.852 446 HB VAL 58 HB VAL 58 0.563 0.492 -1.879 447 1HG1 VAL 58 1HG1 VAL 58 1.992 -1.637 -3.536 448 2HG1 VAL 58 2HG1 VAL 58 2.185 -1.330 -1.790 449 3HG1 VAL 58 3HG1 VAL 58 0.649 -1.937 -2.410 450 1HG2 VAL 58 1HG2 VAL 58 2.629 0.756 -4.113 451 2HG2 VAL 58 2HG2 VAL 58 1.898 2.074 -3.172 452 3HG2 VAL 58 3HG2 VAL 58 2.971 0.915 -2.377 453 H PHE 59 H PHE 59 -1.313 -1.428 -5.455 454 HA PHE 59 HA PHE 59 -3.674 -1.804 -3.647 455 1HB PHE 59 1HB PHE 59 -3.046 -2.737 -6.468 456 2HB PHE 59 2HB PHE 59 -4.521 -3.047 -5.635 457 HD1 PHE 59 1HD PHE 59 -5.230 -0.412 -4.517 458 HD2 PHE 59 2HD PHE 59 -3.609 -1.554 -8.345 459 HE1 PHE 59 1HE PHE 59 -6.232 1.607 -5.547 460 HE2 PHE 59 2HE PHE 59 -4.736 0.378 -9.393 461 HZ PHE 59 HZ PHE 59 -6.070 1.965 -7.983 462 H ILE 60 H ILE 60 -4.617 -3.761 -3.445 463 HA ILE 60 HA ILE 60 -2.791 -6.071 -3.587 464 HB ILE 60 HB ILE 60 -3.870 -7.031 -1.665 465 1HG1 ILE 60 1HG1 ILE 60 -5.420 -4.485 -1.307 466 2HG1 ILE 60 2HG1 ILE 60 -6.026 -6.126 -1.667 467 1HG2 ILE 60 1HG2 ILE 60 -2.765 -4.326 -1.126 468 2HG2 ILE 60 2HG2 ILE 60 -2.694 -5.748 -0.043 469 3HG2 ILE 60 3HG2 ILE 60 -1.808 -5.776 -1.578 470 1HD1 ILE 60 1HD1 ILE 60 -5.152 -6.947 0.469 471 2HD1 ILE 60 2HD1 ILE 60 -4.690 -5.269 0.871 472 3HD1 ILE 60 3HD1 ILE 60 -6.398 -5.687 0.625 473 H LYS 61 H LYS 61 -3.445 -7.402 -5.107 474 HA LYS 61 HA LYS 61 -6.363 -7.646 -5.582 475 1HB LYS 61 1HB LYS 61 -5.908 -8.116 -7.890 476 2HB LYS 61 2HB LYS 61 -5.772 -6.425 -7.461 477 1HG LYS 61 1HG LYS 61 -3.736 -6.348 -8.323 478 2HG LYS 61 2HG LYS 61 -3.187 -7.727 -7.386 479 1HD LYS 61 1HD LYS 61 -4.614 -9.105 -9.245 480 2HD LYS 61 2HD LYS 61 -4.300 -7.620 -10.181 481 1HE LYS 61 1HE LYS 61 -1.826 -8.130 -9.294 482 2HE LYS 61 2HE LYS 61 -2.520 -9.718 -9.026 483 1HZ LYS 61 1HZ LYS 61 -2.039 -10.182 -11.081 484 2HZ LYS 61 2HZ LYS 61 -3.151 -9.060 -11.648 485 3HZ LYS 61 3HZ LYS 61 -1.554 -8.684 -11.415 486 H ARG 62 H ARG 62 -7.052 -9.726 -6.296 487 HA ARG 62 HA ARG 62 -5.960 -11.768 -4.751 488 1HB ARG 62 1HB ARG 62 -7.798 -12.434 -7.013 489 2HB ARG 62 2HB ARG 62 -7.689 -13.136 -5.389 490 1HG ARG 62 1HG ARG 62 -8.410 -10.716 -4.629 491 2HG ARG 62 2HG ARG 62 -8.867 -10.577 -6.334 492 1HD ARG 62 1HD ARG 62 -10.026 -12.332 -4.168 493 2HD ARG 62 2HD ARG 62 -10.883 -11.221 -5.248 494 HE ARG 62 HE ARG 62 -10.229 -12.887 -7.082 495 1HH1 ARG 62 2HH2 ARG 62 -11.815 -13.635 -4.130 496 2HH1 ARG 62 1HH2 ARG 62 -11.792 -15.396 -4.328 497 1HH2 ARG 62 2HH1 ARG 62 -10.144 -15.212 -7.439 498 2HH2 ARG 62 1HH1 ARG 62 -10.879 -16.284 -6.316 499 H SER 63 H SER 63 -3.775 -11.098 -6.420 500 HA SER 63 HA SER 63 -2.031 -12.093 -7.446 501 1HB SER 63 1HB SER 63 -3.156 -14.247 -6.233 502 2HB SER 63 2HB SER 63 -3.289 -14.719 -7.923 503 HG SER 63 HG SER 63 -0.910 -14.224 -7.992 504 H ASP 64 H ASP 64 -5.142 -13.150 -8.844 505 HA ASP 64 HA ASP 64 -6.077 -13.064 -10.862 506 1HB ASP 64 1HB ASP 64 -4.944 -10.733 -11.169 507 2HB ASP 64 2HB ASP 64 -3.771 -11.580 -12.154 508 H ALA 65 H ALA 65 -2.578 -13.286 -11.352 509 HA ALA 65 HA ALA 65 -2.757 -15.613 -13.030 510 1HB ALA 65 1HB ALA 65 -0.377 -14.255 -11.698 511 2HB ALA 65 2HB ALA 65 -0.273 -15.467 -12.983 512 3HB ALA 65 3HB ALA 65 -1.013 -13.893 -13.320 513 H LEU 66 H LEU 66 -3.968 -15.938 -10.479 514 HA LEU 66 HA LEU 66 -3.876 -17.271 -8.522 515 1HB LEU 66 1HB LEU 66 -4.886 -19.371 -9.387 516 2HB LEU 66 2HB LEU 66 -5.623 -17.827 -9.753 517 HG LEU 66 HG LEU 66 -4.774 -17.848 -12.038 518 1HD1 LEU 66 1HD1 LEU 66 -3.624 -19.800 -12.966 519 2HD1 LEU 66 2HD1 LEU 66 -2.695 -19.079 -11.627 520 3HD1 LEU 66 3HD1 LEU 66 -3.601 -20.563 -11.351 521 1HD2 LEU 66 1HD2 LEU 66 -6.108 -20.478 -11.272 522 2HD2 LEU 66 2HD2 LEU 66 -6.948 -18.924 -11.513 523 3HD2 LEU 66 3HD2 LEU 66 -6.138 -19.710 -12.877 524 H SER 67 H SER 67 -1.643 -16.933 -8.061 525 HA SER 67 HA SER 67 0.630 -18.073 -8.357 526 1HB SER 67 1HB SER 67 -0.203 -16.525 -6.555 527 2HB SER 67 2HB SER 67 -0.717 -17.924 -5.613 528 HG SER 67 HG SER 67 1.534 -16.706 -5.690 529 H THR 68 H THR 68 -1.730 -19.762 -6.218 530 HA THR 68 HA THR 68 -0.677 -22.347 -7.027 531 HB THR 68 HB THR 68 -0.241 -23.147 -4.833 532 HG1 THR 68 1HG THR 68 -0.360 -22.051 -3.027 533 1HG2 THR 68 1HG2 THR 68 1.678 -21.789 -4.049 534 2HG2 THR 68 2HG2 THR 68 1.705 -21.989 -5.812 535 3HG2 THR 68 3HG2 THR 68 1.192 -20.452 -5.075 536 H ASN 69 H ASN 69 -2.117 -24.051 -6.057 537 HA ASN 69 HA ASN 69 -4.544 -24.165 -6.992 538 1HB ASN 69 1HB ASN 69 -3.588 -26.055 -5.909 539 2HB ASN 69 2HB ASN 69 -3.599 -25.275 -4.325 540 1HD2 ASN 69 1HD2 ASN 69 -5.779 -26.587 -6.882 541 2HD2 ASN 69 2HD2 ASN 69 -7.073 -26.985 -5.759 542 H HIS 70 H HIS 70 -4.567 -23.476 -3.464 543 HA HIS 70 HA HIS 70 -6.159 -21.112 -3.629 544 1HB HIS 70 1HB HIS 70 -7.978 -22.663 -4.104 545 2HB HIS 70 2HB HIS 70 -7.443 -23.747 -2.822 546 HD1 HIS 70 1HD HIS 70 -8.562 -23.393 -0.525 547 HD2 HIS 70 2HD HIS 70 -8.890 -20.108 -3.141 548 HE1 HIS 70 1HE HIS 70 -10.043 -21.709 0.649 549 H GLY 71 H GLY 71 -6.213 -20.182 -1.465 550 1HA GLY 71 1HA GLY 71 -5.332 -21.615 0.875 551 2HA GLY 71 2HA GLY 71 -4.062 -20.570 0.204 552 H HIS 72 H HIS 72 -7.523 -20.556 1.123 553 HA HIS 72 HA HIS 72 -8.989 -18.869 1.539 554 1HB HIS 72 1HB HIS 72 -6.564 -18.015 3.135 555 2HB HIS 72 2HB HIS 72 -7.887 -16.892 2.990 556 HD1 HIS 72 1HD HIS 72 -10.281 -17.631 3.978 557 HD2 HIS 72 2HD HIS 72 -6.829 -19.821 5.022 558 HE1 HIS 72 1HE HIS 72 -10.832 -18.839 6.126 559 H LYS 73 H LYS 73 -8.564 -16.079 1.659 560 HA LYS 73 HA LYS 73 -8.764 -15.298 -1.095 561 1HB LYS 73 1HB LYS 73 -10.026 -14.370 0.923 562 2HB LYS 73 2HB LYS 73 -8.508 -13.646 1.448 563 1HG LYS 73 1HG LYS 73 -9.352 -11.857 0.271 564 2HG LYS 73 2HG LYS 73 -8.482 -12.659 -1.021 565 1HD LYS 73 1HD LYS 73 -10.612 -12.109 -1.924 566 2HD LYS 73 2HD LYS 73 -10.663 -13.854 -1.620 567 1HE LYS 73 1HE LYS 73 -11.796 -13.270 0.632 568 2HE LYS 73 2HE LYS 73 -11.890 -11.600 0.046 569 1HZ LYS 73 1HZ LYS 73 -13.215 -13.987 -1.086 570 2HZ LYS 73 2HZ LYS 73 -13.925 -12.620 -0.510 571 3HZ LYS 73 3HZ LYS 73 -13.097 -12.554 -1.905 572 H VAL 74 H VAL 74 -6.527 -16.167 -1.693 573 HA VAL 74 HA VAL 74 -4.156 -14.815 -0.700 574 HB VAL 74 HB VAL 74 -4.633 -16.310 -3.320 575 1HG1 VAL 74 1HG1 VAL 74 -2.008 -15.275 -2.134 576 2HG1 VAL 74 2HG1 VAL 74 -2.144 -16.429 -3.475 577 3HG1 VAL 74 3HG1 VAL 74 -2.730 -14.790 -3.679 578 1HG2 VAL 74 1HG2 VAL 74 -3.252 -18.038 -2.124 579 2HG2 VAL 74 2HG2 VAL 74 -3.377 -17.071 -0.644 580 3HG2 VAL 74 3HG2 VAL 74 -4.838 -17.751 -1.402 581 H VAL 75 H VAL 75 -3.057 -13.058 -1.569 582 HA VAL 75 HA VAL 75 -4.155 -11.649 -3.819 583 HB VAL 75 HB VAL 75 -3.814 -9.450 -2.505 584 1HG1 VAL 75 1HG1 VAL 75 -6.164 -11.117 -1.563 585 2HG1 VAL 75 2HG1 VAL 75 -6.001 -9.342 -1.659 586 3HG1 VAL 75 3HG1 VAL 75 -6.067 -10.290 -3.136 587 1HG2 VAL 75 1HG2 VAL 75 -4.111 -9.475 -0.117 588 2HG2 VAL 75 2HG2 VAL 75 -4.224 -11.241 -0.075 589 3HG2 VAL 75 3HG2 VAL 75 -2.686 -10.466 -0.526 590 H GLU 76 H GLU 76 -2.506 -9.664 -4.166 591 HA GLU 76 HA GLU 76 0.036 -10.147 -2.884 592 1HB GLU 76 1HB GLU 76 0.147 -9.747 -5.854 593 2HB GLU 76 2HB GLU 76 1.469 -10.008 -4.722 594 1HG GLU 76 1HG GLU 76 0.722 -12.383 -4.582 595 2HG GLU 76 2HG GLU 76 -0.433 -12.038 -5.901 596 H LEU 77 H LEU 77 1.437 -8.273 -3.356 597 HA LEU 77 HA LEU 77 0.213 -5.684 -3.543 598 1HB LEU 77 1HB LEU 77 3.056 -6.743 -3.732 599 2HB LEU 77 2HB LEU 77 2.638 -5.037 -3.838 600 HG LEU 77 HG LEU 77 1.442 -6.364 -1.462 601 1HD1 LEU 77 1HD1 LEU 77 3.535 -6.368 -0.167 602 2HD1 LEU 77 2HD1 LEU 77 3.603 -7.571 -1.480 603 3HD1 LEU 77 3HD1 LEU 77 4.435 -6.004 -1.636 604 1HD2 LEU 77 1HD2 LEU 77 1.392 -3.955 -1.898 605 2HD2 LEU 77 2HD2 LEU 77 2.267 -4.298 -0.390 606 3HD2 LEU 77 3HD2 LEU 77 3.162 -3.890 -1.867 607 H VAL 78 H VAL 78 -0.046 -4.435 -5.231 608 HA VAL 78 HA VAL 78 1.412 -4.730 -7.745 609 HB VAL 78 HB VAL 78 -1.619 -4.380 -7.509 610 1HG1 VAL 78 1HG1 VAL 78 -0.012 -3.979 -10.033 611 2HG1 VAL 78 2HG1 VAL 78 -1.774 -4.180 -9.912 612 3HG1 VAL 78 3HG1 VAL 78 -1.041 -2.775 -9.193 613 1HG2 VAL 78 1HG2 VAL 78 -1.641 -6.223 -9.145 614 2HG2 VAL 78 2HG2 VAL 78 0.112 -6.386 -8.954 615 3HG2 VAL 78 3HG2 VAL 78 -0.984 -6.679 -7.563 616 H ALA 79 H ALA 79 1.089 -2.465 -8.827 617 HA ALA 79 HA ALA 79 0.463 -0.279 -7.022 618 1HB ALA 79 1HB ALA 79 2.897 -0.555 -6.635 619 2HB ALA 79 2HB ALA 79 3.189 -0.448 -8.385 620 3HB ALA 79 3HB ALA 79 2.529 0.949 -7.498 621 H GLU 80 H GLU 80 -0.191 1.556 -8.312 622 HA GLU 80 HA GLU 80 0.284 1.535 -11.132 623 1HB GLU 80 1HB GLU 80 -2.428 0.785 -10.106 624 2HB GLU 80 2HB GLU 80 -2.412 2.152 -11.215 625 1HG GLU 80 1HG GLU 80 -1.462 -0.632 -11.838 626 2HG GLU 80 2HG GLU 80 -2.898 0.217 -12.433 627 H MET 81 H MET 81 0.103 3.642 -11.950 628 HA MET 81 HA MET 81 -0.049 5.697 -9.854 629 1HB MET 81 1HB MET 81 0.783 7.236 -11.390 630 2HB MET 81 2HB MET 81 1.757 5.804 -11.521 631 1HG MET 81 1HG MET 81 0.968 5.284 -13.666 632 2HG MET 81 2HG MET 81 -0.511 6.226 -13.489 633 1HE MET 81 1HE MET 81 3.022 7.708 -12.372 634 2HE MET 81 2HE MET 81 3.352 6.448 -13.592 635 3HE MET 81 3HE MET 81 3.631 8.154 -13.976 636 H ASP 82 H ASP 82 -1.902 6.817 -9.538 637 HA ASP 82 HA ASP 82 -4.005 7.317 -9.473 638 1HB ASP 82 1HB ASP 82 -3.585 8.477 -11.813 639 2HB ASP 82 2HB ASP 82 -4.544 7.156 -12.419 640 H GLY 83 H GLY 83 -3.043 4.415 -9.918 641 1HA GLY 83 1HA GLY 83 -4.050 2.437 -9.565 642 2HA GLY 83 2HA GLY 83 -5.625 3.262 -9.510 643 H ILE 84 H ILE 84 -3.909 3.811 -12.437 644 HA ILE 84 HA ILE 84 -5.726 3.895 -14.089 645 HB ILE 84 HB ILE 84 -3.176 2.352 -14.505 646 1HG1 ILE 84 1HG1 ILE 84 -3.861 5.100 -14.197 647 2HG1 ILE 84 2HG1 ILE 84 -2.291 4.327 -14.374 648 1HG2 ILE 84 1HG2 ILE 84 -3.290 2.730 -16.967 649 2HG2 ILE 84 2HG2 ILE 84 -4.280 1.456 -16.347 650 3HG2 ILE 84 3HG2 ILE 84 -5.044 3.013 -16.775 651 1HD1 ILE 84 1HD1 ILE 84 -3.935 5.346 -16.686 652 2HD1 ILE 84 2HD1 ILE 84 -2.653 6.235 -15.830 653 3HD1 ILE 84 3HD1 ILE 84 -2.250 4.753 -16.723 654 H GLN 85 H GLN 85 -4.668 0.484 -14.505 655 HA GLN 85 HA GLN 85 -7.433 -0.149 -15.262 656 1HB GLN 85 1HB GLN 85 -4.723 -1.498 -15.441 657 2HB GLN 85 2HB GLN 85 -6.175 -2.471 -15.542 658 1HG GLN 85 1HG GLN 85 -7.018 -0.904 -17.368 659 2HG GLN 85 2HG GLN 85 -5.382 -0.221 -17.412 660 1HE2 GLN 85 1HE2 GLN 85 -3.757 -1.431 -18.469 661 2HE2 GLN 85 2HE2 GLN 85 -4.140 -2.963 -19.272 662 H TYR 86 H TYR 86 -5.091 -1.550 -13.053 663 HA TYR 86 HA TYR 86 -6.525 -3.568 -11.774 664 1HB TYR 86 1HB TYR 86 -4.391 -1.670 -10.730 665 2HB TYR 86 2HB TYR 86 -4.929 -3.126 -9.893 666 HD1 TYR 86 1HD TYR 86 -3.165 -1.877 -12.962 667 HD2 TYR 86 2HD TYR 86 -4.431 -5.315 -10.695 668 HE1 TYR 86 1HE TYR 86 -1.616 -3.228 -14.251 669 HE2 TYR 86 2HE TYR 86 -2.712 -6.684 -11.862 670 HH TYR 86 HH TYR 86 -0.266 -5.637 -13.575 671 H GLY 87 H GLY 87 -6.607 -0.046 -11.090 672 1HA GLY 87 1HA GLY 87 -7.793 -0.139 -8.529 673 2HA GLY 87 2HA GLY 87 -7.788 1.229 -9.665 674 H ARG 88 H ARG 88 -9.856 0.032 -7.923 675 HA ARG 88 HA ARG 88 -12.036 -0.560 -7.829 676 1HB ARG 88 1HB ARG 88 -11.959 1.722 -8.836 677 2HB ARG 88 2HB ARG 88 -12.173 1.002 -10.419 678 1HG ARG 88 1HG ARG 88 -14.388 0.433 -10.018 679 2HG ARG 88 2HG ARG 88 -14.167 0.327 -8.267 680 1HD ARG 88 1HD ARG 88 -15.576 2.253 -9.012 681 2HD ARG 88 2HD ARG 88 -14.214 2.654 -7.964 682 HE ARG 88 HE ARG 88 -13.645 2.885 -10.833 683 1HH1 ARG 88 2HH2 ARG 88 -15.162 4.594 -8.134 684 2HH1 ARG 88 1HH2 ARG 88 -14.442 6.143 -8.513 685 1HH2 ARG 88 2HH1 ARG 88 -13.030 4.966 -11.566 686 2HH2 ARG 88 1HH1 ARG 88 -13.486 6.389 -10.742 687 H SER 89 H SER 89 -10.226 -2.221 -10.074 688 HA SER 89 HA SER 89 -12.343 -3.903 -11.132 689 1HB SER 89 1HB SER 89 -9.420 -4.525 -10.436 690 2HB SER 89 2HB SER 89 -10.537 -5.590 -11.262 691 HG SER 89 HG SER 89 -9.666 -3.051 -12.232 692 H GLY 90 H GLY 90 -13.396 -5.604 -10.021 693 1HA GLY 90 1HA GLY 90 -13.474 -5.540 -7.176 694 2HA GLY 90 2HA GLY 90 -14.280 -6.704 -8.214 695 H ILE 91 H ILE 91 -11.294 -7.104 -9.235 696 HA ILE 91 HA ILE 91 -10.447 -9.269 -7.563 697 HB ILE 91 HB ILE 91 -9.972 -8.846 -10.009 698 1HG1 ILE 91 1HG1 ILE 91 -7.607 -9.327 -8.237 699 2HG1 ILE 91 2HG1 ILE 91 -8.798 -10.554 -8.722 700 1HG2 ILE 91 1HG2 ILE 91 -8.351 -7.332 -10.796 701 2HG2 ILE 91 2HG2 ILE 91 -9.217 -6.392 -9.571 702 3HG2 ILE 91 3HG2 ILE 91 -7.648 -7.079 -9.191 703 1HD1 ILE 91 1HD1 ILE 91 -8.104 -10.143 -11.118 704 2HD1 ILE 91 2HD1 ILE 91 -6.789 -9.113 -10.513 705 3HD1 ILE 91 3HD1 ILE 91 -6.856 -10.838 -10.066 706 H THR 92 H THR 92 -10.027 -5.733 -7.467 707 HA THR 92 HA THR 92 -7.685 -5.987 -5.800 708 HB THR 92 HB THR 92 -9.050 -3.497 -6.884 709 HG1 THR 92 1HG THR 92 -7.717 -3.756 -8.596 710 1HG2 THR 92 1HG2 THR 92 -6.294 -4.090 -5.725 711 2HG2 THR 92 2HG2 THR 92 -6.786 -2.523 -6.429 712 3HG2 THR 92 3HG2 THR 92 -7.516 -3.121 -4.924 713 H LEU 93 H LEU 93 -7.842 -5.872 -3.594 714 HA LEU 93 HA LEU 93 -10.549 -5.587 -2.463 715 1HB LEU 93 1HB LEU 93 -8.073 -6.261 -0.917 716 2HB LEU 93 2HB LEU 93 -9.753 -6.529 -0.489 717 HG LEU 93 HG LEU 93 -8.218 -7.910 -2.752 718 1HD1 LEU 93 1HD1 LEU 93 -9.359 -9.053 -0.197 719 2HD1 LEU 93 2HD1 LEU 93 -8.386 -9.888 -1.450 720 3HD1 LEU 93 3HD1 LEU 93 -7.660 -8.615 -0.441 721 1HD2 LEU 93 1HD2 LEU 93 -10.580 -7.716 -3.437 722 2HD2 LEU 93 2HD2 LEU 93 -10.209 -9.377 -2.997 723 3HD2 LEU 93 3HD2 LEU 93 -11.115 -8.342 -1.868 724 H GLY 94 H GLY 94 -7.276 -4.025 -1.939 725 1HA GLY 94 1HA GLY 94 -8.593 -1.477 -1.363 726 2HA GLY 94 2HA GLY 94 -7.715 -2.188 -0.010 727 H VAL 95 H VAL 95 -6.653 -0.065 -0.475 728 HA VAL 95 HA VAL 95 -4.177 -0.445 -2.058 729 HB VAL 95 HB VAL 95 -5.476 2.104 -0.941 730 1HG1 VAL 95 1HG1 VAL 95 -3.041 2.422 -0.895 731 2HG1 VAL 95 2HG1 VAL 95 -2.909 1.782 -2.556 732 3HG1 VAL 95 3HG1 VAL 95 -3.692 3.344 -2.245 733 1HG2 VAL 95 1HG2 VAL 95 -4.925 1.665 -3.811 734 2HG2 VAL 95 2HG2 VAL 95 -6.482 1.195 -3.081 735 3HG2 VAL 95 3HG2 VAL 95 -5.951 2.888 -3.053 736 H LEU 96 H LEU 96 -2.283 0.154 -0.847 737 HA LEU 96 HA LEU 96 -2.537 -0.368 2.071 738 1HB LEU 96 1HB LEU 96 -0.397 -1.136 0.043 739 2HB LEU 96 2HB LEU 96 -0.209 -1.257 1.783 740 HG LEU 96 HG LEU 96 -2.349 -2.710 0.227 741 1HD1 LEU 96 1HD1 LEU 96 0.408 -3.579 1.185 742 2HD1 LEU 96 2HD1 LEU 96 -0.842 -4.743 0.733 743 3HD1 LEU 96 3HD1 LEU 96 -0.244 -3.582 -0.462 744 1HD2 LEU 96 1HD2 LEU 96 -1.431 -3.031 3.100 745 2HD2 LEU 96 2HD2 LEU 96 -3.004 -2.457 2.541 746 3HD2 LEU 96 3HD2 LEU 96 -2.550 -4.131 2.243 747 H VAL 97 H VAL 97 -1.090 0.724 3.377 748 HA VAL 97 HA VAL 97 0.271 3.137 2.312 749 HB VAL 97 HB VAL 97 -0.917 4.476 4.042 750 1HG1 VAL 97 1HG1 VAL 97 -1.653 4.480 1.664 751 2HG1 VAL 97 2HG1 VAL 97 -2.819 3.184 2.023 752 3HG1 VAL 97 3HG1 VAL 97 -3.005 4.763 2.766 753 1HG2 VAL 97 1HG2 VAL 97 -1.643 2.619 5.548 754 2HG2 VAL 97 2HG2 VAL 97 -2.977 3.673 5.091 755 3HG2 VAL 97 3HG2 VAL 97 -2.812 2.083 4.323 756 HA PRO 98 HA PRO 98 3.021 1.893 5.563 757 1HB PRO 98 1HB PRO 98 4.119 4.446 6.189 758 2HB PRO 98 2HB PRO 98 4.761 3.212 5.066 759 1HG PRO 98 1HG PRO 98 3.627 5.743 4.375 760 2HG PRO 98 2HG PRO 98 4.155 4.472 3.271 761 1HD PRO 98 1HD PRO 98 1.439 5.167 4.250 762 2HD PRO 98 2HD PRO 98 1.922 4.404 2.710 763 H HIS 99 H HIS 99 2.427 1.457 7.569 764 HA HIS 99 HA HIS 99 0.363 3.016 8.995 765 1HB HIS 99 1HB HIS 99 0.074 0.636 9.131 766 2HB HIS 99 2HB HIS 99 1.774 0.363 9.446 767 HD1 HIS 99 1HD HIS 99 1.183 -1.042 11.634 768 HD2 HIS 99 2HD HIS 99 -0.002 3.015 11.607 769 HE1 HIS 99 1HE HIS 99 0.737 -0.404 14.048 770 H VAL 100 H VAL 100 1.308 4.923 9.659 771 HA VAL 100 HA VAL 100 3.757 4.763 11.351 772 HB VAL 100 HB VAL 100 4.121 7.089 10.717 773 1HG1 VAL 100 1HG1 VAL 100 4.873 6.686 8.461 774 2HG1 VAL 100 2HG1 VAL 100 5.100 5.195 9.395 775 3HG1 VAL 100 3HG1 VAL 100 3.746 5.337 8.255 776 1HG2 VAL 100 1HG2 VAL 100 1.782 6.732 8.774 777 2HG2 VAL 100 2HG2 VAL 100 1.759 7.735 10.227 778 3HG2 VAL 100 3HG2 VAL 100 2.861 8.144 8.923 779 H GLY 101 H GLY 101 1.808 3.954 12.834 780 1HA GLY 101 1HA GLY 101 0.905 4.290 14.810 781 2HA GLY 101 2HA GLY 101 1.692 5.864 14.866 782 H GLU 102 H GLU 102 -0.421 5.777 12.318 783 HA GLU 102 HA GLU 102 -1.975 7.873 13.067 784 1HB GLU 102 1HB GLU 102 -2.176 5.812 10.875 785 2HB GLU 102 2HB GLU 102 -3.256 7.214 10.907 786 1HG GLU 102 1HG GLU 102 -1.435 8.775 10.847 787 2HG GLU 102 2HG GLU 102 -0.255 7.493 11.063 788 H THR 103 H THR 103 -2.597 5.149 14.668 789 HA THR 103 HA THR 103 -4.260 4.200 15.782 790 HB THR 103 HB THR 103 -5.395 6.930 15.345 791 HG1 THR 103 1HG THR 103 -4.380 7.409 17.059 792 1HG2 THR 103 1HG2 THR 103 -7.279 5.455 16.017 793 2HG2 THR 103 2HG2 THR 103 -6.283 4.794 17.329 794 3HG2 THR 103 3HG2 THR 103 -6.799 6.513 17.348 795 HA PRO 104 HA PRO 104 -6.774 2.809 12.266 796 1HB PRO 104 1HB PRO 104 -6.889 0.155 12.826 797 2HB PRO 104 2HB PRO 104 -5.413 0.961 12.214 798 1HG PRO 104 1HG PRO 104 -6.114 0.300 15.082 799 2HG PRO 104 2HG PRO 104 -4.607 -0.082 14.205 800 1HD PRO 104 1HD PRO 104 -4.943 2.129 15.834 801 2HD PRO 104 2HD PRO 104 -3.855 2.154 14.421 802 H ILE 105 H ILE 105 -8.693 1.731 12.028 803 HA ILE 105 HA ILE 105 -10.622 1.994 14.272 804 HB ILE 105 HB ILE 105 -12.292 2.204 12.389 805 1HG1 ILE 105 1HG1 ILE 105 -10.610 1.393 10.568 806 2HG1 ILE 105 2HG1 ILE 105 -11.760 2.621 10.185 807 1HG2 ILE 105 1HG2 ILE 105 -10.205 4.389 12.783 808 2HG2 ILE 105 2HG2 ILE 105 -11.809 4.623 12.060 809 3HG2 ILE 105 3HG2 ILE 105 -11.650 4.087 13.751 810 1HD1 ILE 105 1HD1 ILE 105 -10.007 4.368 10.429 811 2HD1 ILE 105 2HD1 ILE 105 -8.827 3.147 10.845 812 3HD1 ILE 105 3HD1 ILE 105 -9.582 3.118 9.241 813 H ALA 106 H ALA 106 -9.182 -0.239 11.927 814 HA ALA 106 HA ALA 106 -10.507 -2.453 13.199 815 1HB ALA 106 1HB ALA 106 -11.506 -3.366 11.134 816 2HB ALA 106 2HB ALA 106 -12.200 -1.770 11.481 817 3HB ALA 106 3HB ALA 106 -10.960 -1.940 10.219 818 H TYR 107 H TYR 107 -9.761 -4.554 11.820 819 HA TYR 107 HA TYR 107 -7.079 -4.146 10.620 820 1HB TYR 107 1HB TYR 107 -7.794 -6.131 12.801 821 2HB TYR 107 2HB TYR 107 -6.582 -6.526 11.603 822 HD1 TYR 107 1HD TYR 107 -7.213 -3.367 13.656 823 HD2 TYR 107 2HD TYR 107 -4.463 -6.483 12.487 824 HE1 TYR 107 1HE TYR 107 -5.416 -2.166 14.742 825 HE2 TYR 107 2HE TYR 107 -2.669 -5.326 13.811 826 HH TYR 107 HH TYR 107 -2.965 -2.058 14.966 827 H ARG 108 H ARG 108 -6.562 -5.840 9.044 828 HA ARG 108 HA ARG 108 -8.840 -7.509 8.121 829 1HB ARG 108 1HB ARG 108 -8.310 -5.258 6.829 830 2HB ARG 108 2HB ARG 108 -6.981 -6.195 6.162 831 1HG ARG 108 1HG ARG 108 -8.849 -6.346 4.643 832 2HG ARG 108 2HG ARG 108 -8.707 -7.921 5.438 833 1HD ARG 108 1HD ARG 108 -10.565 -7.366 6.951 834 2HD ARG 108 2HD ARG 108 -10.539 -5.682 6.436 835 HE ARG 108 HE ARG 108 -12.009 -6.167 4.902 836 1HH1 ARG 108 2HH2 ARG 108 -10.280 -9.214 5.496 837 2HH1 ARG 108 1HH2 ARG 108 -11.229 -10.161 4.419 838 1HH2 ARG 108 2HH1 ARG 108 -13.495 -7.507 3.800 839 2HH2 ARG 108 1HH1 ARG 108 -13.258 -9.228 3.714 840 H ASN 109 H ASN 109 -8.135 -9.658 7.571 841 HA ASN 109 HA ASN 109 -5.242 -10.166 7.717 842 1HB ASN 109 1HB ASN 109 -7.260 -11.328 9.074 843 2HB ASN 109 2HB ASN 109 -7.210 -12.401 7.677 844 1HD2 ASN 109 1HD2 ASN 109 -6.493 -12.819 10.581 845 2HD2 ASN 109 2HD2 ASN 109 -4.762 -12.963 10.568 846 H VAL 110 H VAL 110 -4.117 -11.043 6.017 847 HA VAL 110 HA VAL 110 -5.503 -12.198 3.687 848 HB VAL 110 HB VAL 110 -3.791 -10.843 2.269 849 1HG1 VAL 110 1HG1 VAL 110 -5.441 -9.063 1.913 850 2HG1 VAL 110 2HG1 VAL 110 -6.216 -10.647 2.071 851 3HG1 VAL 110 3HG1 VAL 110 -6.258 -9.496 3.424 852 1HG2 VAL 110 1HG2 VAL 110 -4.007 -8.894 4.613 853 2HG2 VAL 110 2HG2 VAL 110 -2.541 -9.761 4.115 854 3HG2 VAL 110 3HG2 VAL 110 -3.288 -8.575 3.029 855 H LEU 111 H LEU 111 -3.600 -13.201 2.177 856 HA LEU 111 HA LEU 111 -1.384 -14.258 3.853 857 1HB LEU 111 1HB LEU 111 -3.242 -15.344 1.785 858 2HB LEU 111 2HB LEU 111 -1.578 -15.837 1.622 859 HG LEU 111 HG LEU 111 -3.023 -17.397 2.619 860 1HD1 LEU 111 1HD1 LEU 111 -1.422 -17.260 5.014 861 2HD1 LEU 111 2HD1 LEU 111 -1.263 -18.309 3.626 862 3HD1 LEU 111 3HD1 LEU 111 -0.499 -16.706 3.617 863 1HD2 LEU 111 1HD2 LEU 111 -4.673 -16.464 3.960 864 2HD2 LEU 111 2HD2 LEU 111 -3.609 -17.134 5.160 865 3HD2 LEU 111 3HD2 LEU 111 -3.522 -15.398 4.743 866 H LEU 112 H LEU 112 0.557 -14.245 2.779 867 HA LEU 112 HA LEU 112 0.860 -12.655 0.257 868 1HB LEU 112 1HB LEU 112 2.003 -12.030 2.748 869 2HB LEU 112 2HB LEU 112 3.244 -13.002 2.007 870 HG LEU 112 HG LEU 112 2.174 -10.340 1.090 871 1HD1 LEU 112 1HD1 LEU 112 4.030 -10.437 2.736 872 2HD1 LEU 112 2HD1 LEU 112 4.971 -11.446 1.639 873 3HD1 LEU 112 3HD1 LEU 112 4.593 -9.764 1.203 874 1HD2 LEU 112 1HD2 LEU 112 4.000 -12.131 -0.555 875 2HD2 LEU 112 2HD2 LEU 112 2.337 -11.629 -1.017 876 3HD2 LEU 112 3HD2 LEU 112 3.628 -10.438 -0.896 877 H ARG 113 H ARG 113 2.536 -13.648 -1.250 878 HA ARG 113 HA ARG 113 2.599 -16.458 -1.197 879 1HB ARG 113 1HB ARG 113 4.346 -16.256 -2.898 880 2HB ARG 113 2HB ARG 113 2.854 -15.455 -3.268 881 1HG ARG 113 1HG ARG 113 4.796 -13.657 -1.944 882 2HG ARG 113 2HG ARG 113 5.450 -14.419 -3.379 883 1HD ARG 113 1HD ARG 113 3.399 -13.662 -4.651 884 2HD ARG 113 2HD ARG 113 2.829 -12.831 -3.220 885 HE ARG 113 HE ARG 113 4.131 -11.080 -3.938 886 1HH1 ARG 113 2HH2 ARG 113 5.565 -14.036 -5.321 887 2HH1 ARG 113 1HH2 ARG 113 6.656 -13.163 -6.328 888 1HH2 ARG 113 2HH1 ARG 113 5.364 -10.005 -5.444 889 2HH2 ARG 113 1HH1 ARG 113 6.537 -10.821 -6.409 890 H LYS 114 H LYS 114 3.906 -17.890 -0.457 891 HA LYS 114 HA LYS 114 6.684 -17.326 -0.421 892 1HB LYS 114 1HB LYS 114 5.356 -18.370 2.103 893 2HB LYS 114 2HB LYS 114 6.895 -19.064 1.588 894 1HG LYS 114 1HG LYS 114 7.888 -16.772 1.449 895 2HG LYS 114 2HG LYS 114 6.397 -16.106 2.105 896 1HD LYS 114 1HD LYS 114 6.726 -17.659 4.119 897 2HD LYS 114 2HD LYS 114 8.297 -18.052 3.440 898 1HE LYS 114 1HE LYS 114 8.392 -15.306 3.316 899 2HE LYS 114 2HE LYS 114 7.306 -15.519 4.698 900 1HZ LYS 114 1HZ LYS 114 9.290 -17.231 5.252 901 2HZ LYS 114 2HZ LYS 114 10.110 -16.047 4.458 902 3HZ LYS 114 3HZ LYS 114 9.209 -15.698 5.812 903 H ASN 115 H ASN 115 7.557 -18.907 -1.514 904 HA ASN 115 HA ASN 115 6.319 -21.571 -1.794 905 1HB ASN 115 1HB ASN 115 7.519 -21.563 -4.107 906 2HB ASN 115 2HB ASN 115 5.910 -20.864 -3.956 907 1HD2 ASN 115 1HD2 ASN 115 5.602 -18.754 -4.757 908 2HD2 ASN 115 2HD2 ASN 115 6.913 -17.623 -4.968 909 H GLY 116 H GLY 116 9.319 -19.645 -2.436 910 1HA GLY 116 1HA GLY 116 11.120 -19.520 -0.859 911 2HA GLY 116 2HA GLY 116 10.623 -21.076 -0.170
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