NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
14457 | 1wrg | 6350 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ALA 1 1H ALA 1 4.319 -30.790 -8.554 2 HA ALA 1 HA ALA 1 5.947 -32.572 -10.045 3 1HB ALA 1 1HB ALA 1 7.031 -33.559 -7.818 4 2HB ALA 1 2HB ALA 1 7.000 -31.852 -7.375 5 3HB ALA 1 3HB ALA 1 7.851 -32.370 -8.830 6 H GLU 2 H GLU 2 5.007 -32.853 -6.630 7 HA GLU 2 HA GLU 2 3.238 -35.066 -7.367 8 1HB GLU 2 2HB GLU 2 4.919 -35.487 -5.624 9 2HB GLU 2 1HB GLU 2 4.240 -34.188 -4.653 10 1HG GLU 2 2HG GLU 2 2.101 -35.448 -4.574 11 2HG GLU 2 1HG GLU 2 2.907 -36.778 -5.404 12 H VAL 3 H VAL 3 3.220 -31.874 -5.950 13 HA VAL 3 HA VAL 3 0.622 -31.920 -4.854 14 HB VAL 3 HB VAL 3 0.750 -29.399 -5.110 15 1HG1 VAL 3 1HG1 VAL 3 3.071 -30.743 -3.731 16 2HG1 VAL 3 2HG1 VAL 3 1.438 -30.608 -3.078 17 3HG1 VAL 3 3HG1 VAL 3 2.401 -29.156 -3.354 18 1HG2 VAL 3 1HG2 VAL 3 3.620 -29.828 -5.851 19 2HG2 VAL 3 2HG2 VAL 3 2.649 -28.358 -5.950 20 3HG2 VAL 3 3HG2 VAL 3 2.381 -29.671 -7.097 21 H LYS 4 H LYS 4 -1.273 -30.782 -5.646 22 HA LYS 4 HA LYS 4 -1.572 -29.968 -8.328 23 1HB LYS 4 2HB LYS 4 -3.101 -31.875 -9.023 24 2HB LYS 4 1HB LYS 4 -1.378 -32.224 -9.006 25 1HG LYS 4 2HG LYS 4 -1.643 -33.300 -6.807 26 2HG LYS 4 1HG LYS 4 -3.380 -33.004 -6.896 27 1HD LYS 4 2HD LYS 4 -2.928 -34.227 -9.280 28 2HD LYS 4 1HD LYS 4 -1.731 -35.021 -8.256 29 1HE LYS 4 2HE LYS 4 -3.297 -36.087 -7.027 30 2HE LYS 4 1HE LYS 4 -4.417 -34.727 -7.086 31 1HZ LYS 4 1HZ LYS 4 -3.967 -36.168 -9.579 32 2HZ LYS 4 2HZ LYS 4 -5.388 -35.490 -8.962 33 3HZ LYS 4 3HZ LYS 4 -4.844 -36.983 -8.382 34 H GLN 5 H GLN 5 -2.786 -28.299 -7.633 35 HA GLN 5 HA GLN 5 -4.409 -27.151 -6.441 36 1HB GLN 5 2HB GLN 5 -6.147 -29.118 -7.927 37 2HB GLN 5 1HB GLN 5 -6.550 -27.469 -7.470 38 1HG GLN 5 2HG GLN 5 -5.486 -26.580 -9.231 39 2HG GLN 5 1HG GLN 5 -4.161 -27.740 -9.151 40 1HE2 GLN 5 1HE2 GLN 5 -4.049 -28.463 -11.182 41 2HE2 GLN 5 2HE2 GLN 5 -5.347 -29.208 -12.043 42 H GLU 6 H GLU 6 -3.399 -29.133 -4.739 43 HA GLU 6 HA GLU 6 -5.596 -30.572 -3.553 44 1HB GLU 6 2HB GLU 6 -2.918 -30.993 -3.596 45 2HB GLU 6 1HB GLU 6 -3.093 -30.239 -2.016 46 1HG GLU 6 2HG GLU 6 -5.120 -32.062 -1.994 47 2HG GLU 6 1HG GLU 6 -3.883 -32.898 -2.934 48 H SER 7 H SER 7 -4.980 -30.257 -0.815 49 HA SER 7 HA SER 7 -6.582 -28.027 -0.172 50 1HB SER 7 2HB SER 7 -5.747 -28.525 2.208 51 2HB SER 7 1HB SER 7 -6.621 -29.811 1.376 52 HG SER 7 HG SER 7 -3.808 -29.561 1.657 53 H LEU 8 H LEU 8 -3.141 -28.455 -0.481 54 HA LEU 8 HA LEU 8 -2.283 -26.201 0.968 55 1HB LEU 8 2HB LEU 8 -0.226 -26.367 -0.441 56 2HB LEU 8 1HB LEU 8 -0.672 -27.835 0.406 57 HG LEU 8 HG LEU 8 -1.903 -28.233 -1.991 58 1HD1 LEU 8 1HD1 LEU 8 -1.148 -26.575 -3.335 59 2HD1 LEU 8 2HD1 LEU 8 0.207 -27.687 -3.524 60 3HD1 LEU 8 3HD1 LEU 8 0.328 -26.333 -2.400 61 1HD2 LEU 8 1HD2 LEU 8 -0.195 -29.599 -0.554 62 2HD2 LEU 8 2HD2 LEU 8 0.972 -28.980 -1.722 63 3HD2 LEU 8 3HD2 LEU 8 -0.396 -29.947 -2.272 64 H SER 9 H SER 9 -4.046 -26.360 -1.924 65 HA SER 9 HA SER 9 -3.024 -24.234 -3.405 66 1HB SER 9 2HB SER 9 -5.660 -25.590 -3.193 67 2HB SER 9 1HB SER 9 -5.652 -23.995 -3.944 68 HG SER 9 HG SER 9 -5.122 -25.139 -5.643 69 H GLY 10 H GLY 10 -4.853 -24.278 -0.460 70 1HA GLY 10 2HA GLY 10 -5.649 -21.515 -0.579 71 2HA GLY 10 1HA GLY 10 -5.779 -22.583 0.813 72 H ILE 11 H ILE 11 -2.897 -23.305 0.606 73 HA ILE 11 HA ILE 11 -1.898 -21.181 2.262 74 HB ILE 11 HB ILE 11 -0.344 -23.526 1.168 75 1HG1 ILE 11 2HG1 ILE 11 -1.977 -23.342 3.712 76 2HG1 ILE 11 1HG1 ILE 11 -2.380 -24.314 2.300 77 1HG2 ILE 11 1HG2 ILE 11 0.681 -21.417 2.387 78 2HG2 ILE 11 2HG2 ILE 11 1.280 -23.047 2.697 79 3HG2 ILE 11 3HG2 ILE 11 0.152 -22.292 3.825 80 1HD1 ILE 11 1HD1 ILE 11 0.281 -24.873 3.310 81 2HD1 ILE 11 2HD1 ILE 11 -1.052 -25.971 2.948 82 3HD1 ILE 11 3HD1 ILE 11 -0.982 -25.152 4.509 83 H THR 12 H THR 12 -0.822 -22.605 -0.828 84 HA THR 12 HA THR 12 1.147 -20.656 -1.353 85 HB THR 12 HB THR 12 -0.352 -22.265 -3.423 86 HG1 THR 12 1HG THR 12 1.740 -23.027 -1.682 87 1HG2 THR 12 1HG2 THR 12 1.908 -22.329 -4.501 88 2HG2 THR 12 2HG2 THR 12 2.410 -21.094 -3.347 89 3HG2 THR 12 3HG2 THR 12 1.114 -20.755 -4.494 90 H GLU 13 H GLU 13 -2.153 -21.030 -2.642 91 HA GLU 13 HA GLU 13 -2.109 -18.580 -4.081 92 1HB GLU 13 2HB GLU 13 -3.671 -20.704 -4.277 93 2HB GLU 13 1HB GLU 13 -4.677 -19.794 -3.159 94 1HG GLU 13 2HG GLU 13 -4.109 -17.910 -5.033 95 2HG GLU 13 1HG GLU 13 -4.168 -19.377 -6.009 96 H GLY 14 H GLY 14 -2.744 -19.403 -0.786 97 1HA GLY 14 2HA GLY 14 -4.309 -17.099 -0.135 98 2HA GLY 14 1HA GLY 14 -3.518 -18.177 1.007 99 H GLU 15 H GLU 15 -0.936 -17.963 0.631 100 HA GLU 15 HA GLU 15 -0.261 -15.439 1.686 101 1HB GLU 15 2HB GLU 15 2.078 -16.178 1.434 102 2HB GLU 15 1HB GLU 15 1.074 -17.421 2.168 103 1HG GLU 15 2HG GLU 15 0.848 -18.275 -0.289 104 2HG GLU 15 1HG GLU 15 2.323 -17.341 -0.534 105 H ALA 16 H ALA 16 0.083 -16.853 -1.533 106 HA ALA 16 HA ALA 16 1.487 -14.769 -2.762 107 1HB ALA 16 1HB ALA 16 1.225 -16.932 -3.819 108 2HB ALA 16 2HB ALA 16 0.582 -15.675 -4.874 109 3HB ALA 16 3HB ALA 16 -0.517 -16.692 -3.943 110 H LYS 17 H LYS 17 -1.993 -15.345 -2.439 111 HA LYS 17 HA LYS 17 -2.878 -13.109 -3.887 112 1HB LYS 17 2HB LYS 17 -4.319 -15.014 -3.246 113 2HB LYS 17 1HB LYS 17 -4.228 -14.503 -1.566 114 1HG LYS 17 2HG LYS 17 -5.145 -12.453 -3.470 115 2HG LYS 17 1HG LYS 17 -6.223 -13.832 -3.241 116 1HD LYS 17 2HD LYS 17 -5.054 -12.464 -0.857 117 2HD LYS 17 1HD LYS 17 -6.420 -11.730 -1.697 118 1HE LYS 17 2HE LYS 17 -7.867 -13.363 -1.059 119 2HE LYS 17 1HE LYS 17 -6.624 -14.613 -1.053 120 1HZ LYS 17 1HZ LYS 17 -7.462 -12.820 1.075 121 2HZ LYS 17 2HZ LYS 17 -5.799 -13.110 0.969 122 3HZ LYS 17 3HZ LYS 17 -6.872 -14.404 1.161 123 H GLU 18 H GLU 18 -1.846 -13.513 -0.566 124 HA GLU 18 HA GLU 18 -2.796 -11.043 0.429 125 1HB GLU 18 2HB GLU 18 -1.706 -13.226 1.579 126 2HB GLU 18 1HB GLU 18 -0.307 -12.160 1.583 127 1HG GLU 18 2HG GLU 18 -2.853 -11.021 2.555 128 2HG GLU 18 1HG GLU 18 -2.084 -12.244 3.565 129 H PHE 19 H PHE 19 0.490 -12.013 -0.548 130 HA PHE 19 HA PHE 19 1.693 -9.524 -0.318 131 1HB PHE 19 2HB PHE 19 2.328 -12.082 -1.582 132 2HB PHE 19 1HB PHE 19 3.040 -10.705 -2.418 133 HD1 PHE 19 1HD PHE 19 5.260 -10.536 -1.874 134 HD2 PHE 19 2HD PHE 19 2.451 -11.453 1.190 135 HE1 PHE 19 1HE PHE 19 7.063 -10.451 -0.201 136 HE2 PHE 19 2HE PHE 19 4.249 -11.370 2.868 137 HZ PHE 19 HZ PHE 19 6.558 -10.868 2.173 138 H HIS 20 H HIS 20 -0.212 -10.881 -2.934 139 HA HIS 20 HA HIS 20 0.438 -8.879 -4.851 140 1HB HIS 20 2HB HIS 20 -1.851 -10.839 -4.659 141 2HB HIS 20 1HB HIS 20 -1.635 -9.742 -6.020 142 HD1 HIS 20 1HD HIS 20 1.620 -10.226 -5.816 143 HD2 HIS 20 2HD HIS 20 -1.398 -13.018 -6.413 144 HE1 HIS 20 1HE HIS 20 2.728 -12.182 -6.945 145 HE2 HIS 20 2HE HIS 20 0.899 -13.895 -7.214 146 H LYS 21 H LYS 21 -2.530 -9.435 -2.948 147 HA LYS 21 HA LYS 21 -3.834 -7.076 -3.660 148 1HB LYS 21 2HB LYS 21 -4.456 -9.245 -2.120 149 2HB LYS 21 1HB LYS 21 -4.309 -7.987 -0.901 150 1HG LYS 21 2HG LYS 21 -6.588 -8.098 -1.569 151 2HG LYS 21 1HG LYS 21 -5.906 -6.610 -2.228 152 1HD LYS 21 2HD LYS 21 -5.600 -7.725 -4.396 153 2HD LYS 21 1HD LYS 21 -6.314 -9.195 -3.731 154 1HE LYS 21 2HE LYS 21 -8.432 -8.259 -3.597 155 2HE LYS 21 1HE LYS 21 -7.811 -6.609 -3.617 156 1HZ LYS 21 1HZ LYS 21 -7.374 -6.744 -5.910 157 2HZ LYS 21 2HZ LYS 21 -8.920 -7.401 -5.713 158 3HZ LYS 21 3HZ LYS 21 -7.592 -8.423 -5.948 159 H ILE 22 H ILE 22 -1.779 -7.736 -0.832 160 HA ILE 22 HA ILE 22 -1.974 -5.215 0.348 161 HB ILE 22 HB ILE 22 -0.092 -5.802 1.666 162 1HG1 ILE 22 2HG1 ILE 22 0.561 -7.957 -0.344 163 2HG1 ILE 22 1HG1 ILE 22 1.427 -6.434 -0.182 164 1HG2 ILE 22 1HG2 ILE 22 -0.688 -8.498 1.747 165 2HG2 ILE 22 2HG2 ILE 22 -2.152 -7.743 1.119 166 3HG2 ILE 22 3HG2 ILE 22 -1.478 -7.213 2.660 167 1HD1 ILE 22 1HD1 ILE 22 1.717 -7.235 2.298 168 2HD1 ILE 22 2HD1 ILE 22 2.782 -7.815 1.018 169 3HD1 ILE 22 3HD1 ILE 22 1.447 -8.822 1.579 170 H PHE 23 H PHE 23 0.142 -6.448 -2.172 171 HA PHE 23 HA PHE 23 1.952 -4.297 -2.272 172 1HB PHE 23 2HB PHE 23 1.249 -6.583 -3.972 173 2HB PHE 23 1HB PHE 23 1.824 -5.187 -4.875 174 HD1 PHE 23 1HD PHE 23 4.014 -5.458 -5.481 175 HD2 PHE 23 2HD PHE 23 2.783 -6.709 -1.604 176 HE1 PHE 23 1HE PHE 23 6.337 -6.064 -4.944 177 HE2 PHE 23 2HE PHE 23 5.105 -7.316 -1.059 178 HZ PHE 23 HZ PHE 23 6.886 -6.993 -2.730 179 H THR 24 H THR 24 -0.698 -4.988 -4.557 180 HA THR 24 HA THR 24 -0.705 -2.541 -5.843 181 HB THR 24 HB THR 24 -2.159 -4.886 -5.986 182 HG1 THR 24 1HG THR 24 -1.566 -3.648 -7.743 183 1HG2 THR 24 1HG2 THR 24 -4.501 -4.234 -6.125 184 2HG2 THR 24 2HG2 THR 24 -4.104 -2.653 -5.453 185 3HG2 THR 24 3HG2 THR 24 -3.887 -4.105 -4.477 186 H SER 25 H SER 25 -2.628 -3.561 -3.039 187 HA SER 25 HA SER 25 -4.124 -1.263 -2.659 188 1HB SER 25 2HB SER 25 -4.246 -3.520 -1.420 189 2HB SER 25 1HB SER 25 -3.016 -2.847 -0.349 190 HG SER 25 HG SER 25 -5.576 -1.737 -0.879 191 H SER 26 H SER 26 -0.991 -2.072 -1.163 192 HA SER 26 HA SER 26 -0.634 0.277 0.272 193 1HB SER 26 2HB SER 26 1.863 -0.265 0.006 194 2HB SER 26 1HB SER 26 0.845 -1.484 0.773 195 HG SER 26 HG SER 26 1.987 -1.472 -1.794 196 H ILE 27 H ILE 27 0.076 -0.419 -3.109 197 HA ILE 27 HA ILE 27 1.560 1.922 -3.644 198 HB ILE 27 HB ILE 27 -0.113 0.312 -5.577 199 1HG1 ILE 27 2HG1 ILE 27 2.846 0.026 -5.354 200 2HG1 ILE 27 1HG1 ILE 27 1.853 -0.741 -4.119 201 1HG2 ILE 27 1HG2 ILE 27 1.915 1.244 -7.050 202 2HG2 ILE 27 2HG2 ILE 27 1.782 2.561 -5.884 203 3HG2 ILE 27 3HG2 ILE 27 0.388 2.106 -6.865 204 1HD1 ILE 27 1HD1 ILE 27 0.723 -1.373 -6.628 205 2HD1 ILE 27 2HD1 ILE 27 1.517 -2.447 -5.477 206 3HD1 ILE 27 3HD1 ILE 27 2.461 -1.649 -6.734 207 H LEU 28 H LEU 28 -1.841 1.172 -4.446 208 HA LEU 28 HA LEU 28 -2.486 3.745 -5.356 209 1HB LEU 28 2HB LEU 28 -4.435 1.824 -4.109 210 2HB LEU 28 1HB LEU 28 -4.757 3.041 -5.330 211 HG LEU 28 HG LEU 28 -2.766 1.159 -6.261 212 1HD1 LEU 28 1HD1 LEU 28 -5.451 -0.081 -5.765 213 2HD1 LEU 28 2HD1 LEU 28 -4.125 -0.254 -4.614 214 3HD1 LEU 28 3HD1 LEU 28 -3.945 -0.853 -6.263 215 1HD2 LEU 28 1HD2 LEU 28 -4.782 0.863 -7.950 216 2HD2 LEU 28 2HD2 LEU 28 -3.768 2.306 -7.954 217 3HD2 LEU 28 3HD2 LEU 28 -5.341 2.336 -7.156 218 H VAL 29 H VAL 29 -2.856 2.270 -2.169 219 HA VAL 29 HA VAL 29 -4.194 4.448 -0.981 220 HB VAL 29 HB VAL 29 -3.797 3.370 1.122 221 1HG1 VAL 29 1HG1 VAL 29 -5.498 2.184 0.202 222 2HG1 VAL 29 2HG1 VAL 29 -4.311 0.886 0.339 223 3HG1 VAL 29 3HG1 VAL 29 -4.548 1.706 -1.204 224 1HG2 VAL 29 1HG2 VAL 29 -2.356 1.222 1.079 225 2HG2 VAL 29 2HG2 VAL 29 -1.558 2.790 1.209 226 3HG2 VAL 29 3HG2 VAL 29 -1.615 1.956 -0.342 227 H PHE 30 H PHE 30 -0.782 3.525 -1.214 228 HA PHE 30 HA PHE 30 0.259 5.479 0.519 229 1HB PHE 30 2HB PHE 30 1.633 3.622 -0.257 230 2HB PHE 30 1HB PHE 30 1.500 4.180 -1.921 231 HD1 PHE 30 1HD PHE 30 3.211 5.442 -2.798 232 HD2 PHE 30 2HD PHE 30 2.644 5.376 1.420 233 HE1 PHE 30 1HE PHE 30 5.248 6.793 -2.507 234 HE2 PHE 30 2HE PHE 30 4.677 6.728 1.718 235 HZ PHE 30 HZ PHE 30 5.982 7.437 -0.247 236 H PHE 31 H PHE 31 0.521 5.530 -3.028 237 HA PHE 31 HA PHE 31 1.000 8.280 -3.241 238 1HB PHE 31 2HB PHE 31 1.127 6.252 -4.984 239 2HB PHE 31 1HB PHE 31 -0.441 6.901 -5.450 240 HD1 PHE 31 1HD PHE 31 2.682 8.606 -4.348 241 HD2 PHE 31 2HD PHE 31 -0.156 7.991 -7.459 242 HE1 PHE 31 1HE PHE 31 3.802 10.325 -5.706 243 HE2 PHE 31 2HE PHE 31 0.959 9.709 -8.822 244 HZ PHE 31 HZ PHE 31 2.942 10.879 -7.946 245 H GLY 32 H GLY 32 -1.937 6.410 -3.029 246 1HA GLY 32 2HA GLY 32 -3.808 8.282 -3.927 247 2HA GLY 32 1HA GLY 32 -4.126 7.019 -2.745 248 H VAL 33 H VAL 33 -2.588 7.693 -0.636 249 HA VAL 33 HA VAL 33 -4.024 9.790 0.560 250 HB VAL 33 HB VAL 33 -2.195 7.675 1.272 251 1HG1 VAL 33 1HG1 VAL 33 -0.510 9.145 1.820 252 2HG1 VAL 33 2HG1 VAL 33 -1.344 8.861 3.347 253 3HG1 VAL 33 3HG1 VAL 33 -1.631 10.352 2.449 254 1HG2 VAL 33 1HG2 VAL 33 -4.189 9.294 2.810 255 2HG2 VAL 33 2HG2 VAL 33 -3.389 7.840 3.411 256 3HG2 VAL 33 3HG2 VAL 33 -4.452 7.748 2.005 257 H ALA 34 H ALA 34 -0.551 9.391 -0.089 258 HA ALA 34 HA ALA 34 0.358 11.903 0.491 259 1HB ALA 34 1HB ALA 34 1.988 11.441 -1.506 260 2HB ALA 34 2HB ALA 34 1.206 9.860 -1.519 261 3HB ALA 34 3HB ALA 34 2.037 10.421 -0.068 262 H ALA 35 H ALA 35 -1.406 10.828 -2.337 263 HA ALA 35 HA ALA 35 -1.051 13.138 -3.930 264 1HB ALA 35 1HB ALA 35 -1.784 11.326 -5.152 265 2HB ALA 35 2HB ALA 35 -3.274 12.252 -4.971 266 3HB ALA 35 3HB ALA 35 -2.974 10.854 -3.939 267 H PHE 36 H PHE 36 -4.200 12.134 -2.614 268 HA PHE 36 HA PHE 36 -5.308 14.699 -2.643 269 1HB PHE 36 2HB PHE 36 -6.644 12.628 -2.506 270 2HB PHE 36 1HB PHE 36 -6.070 12.373 -0.862 271 HD1 PHE 36 1HD PHE 36 -7.259 15.466 -2.556 272 HD2 PHE 36 2HD PHE 36 -7.905 12.595 0.517 273 HE1 PHE 36 1HE PHE 36 -9.130 16.813 -1.697 274 HE2 PHE 36 2HE PHE 36 -9.778 13.936 1.382 275 HZ PHE 36 HZ PHE 36 -10.393 16.049 0.274 276 H ALA 37 H ALA 37 -3.805 12.905 -0.017 277 HA ALA 37 HA ALA 37 -4.192 14.581 2.121 278 1HB ALA 37 1HB ALA 37 -2.313 13.526 3.155 279 2HB ALA 37 2HB ALA 37 -1.622 13.096 1.591 280 3HB ALA 37 3HB ALA 37 -3.105 12.318 2.143 281 H HIS 38 H HIS 38 -1.585 14.744 -0.300 282 HA HIS 38 HA HIS 38 -0.316 16.995 0.895 283 1HB HIS 38 2HB HIS 38 -0.105 15.682 -1.805 284 2HB HIS 38 1HB HIS 38 0.764 17.168 -1.442 285 HD1 HIS 38 1HD HIS 38 2.849 15.464 -1.942 286 HD2 HIS 38 2HD HIS 38 0.771 14.938 1.617 287 HE1 HIS 38 1HE HIS 38 4.369 14.104 -0.471 288 HE2 HIS 38 2HE HIS 38 3.048 13.712 1.638 289 H LEU 39 H LEU 39 -2.621 16.602 -1.759 290 HA LEU 39 HA LEU 39 -2.662 19.359 -2.464 291 1HB LEU 39 2HB LEU 39 -4.283 16.957 -3.159 292 2HB LEU 39 1HB LEU 39 -4.935 18.541 -3.531 293 HG LEU 39 HG LEU 39 -2.655 18.948 -4.707 294 1HD1 LEU 39 1HD1 LEU 39 -2.732 15.939 -4.797 295 2HD1 LEU 39 2HD1 LEU 39 -1.640 16.869 -3.773 296 3HD1 LEU 39 3HD1 LEU 39 -1.534 17.007 -5.527 297 1HD2 LEU 39 1HD2 LEU 39 -4.414 16.933 -6.056 298 2HD2 LEU 39 2HD2 LEU 39 -3.608 18.346 -6.739 299 3HD2 LEU 39 3HD2 LEU 39 -5.009 18.553 -5.687 300 H LEU 40 H LEU 40 -4.213 17.571 0.045 301 HA LEU 40 HA LEU 40 -6.294 19.596 0.346 302 1HB LEU 40 2HB LEU 40 -7.261 18.146 2.028 303 2HB LEU 40 1HB LEU 40 -6.969 17.269 0.539 304 HG LEU 40 HG LEU 40 -4.792 16.477 1.673 305 1HD1 LEU 40 1HD1 LEU 40 -4.441 17.564 3.617 306 2HD1 LEU 40 2HD1 LEU 40 -5.501 16.310 4.261 307 3HD1 LEU 40 3HD1 LEU 40 -6.155 17.899 3.864 308 1HD2 LEU 40 1HD2 LEU 40 -7.583 15.596 2.144 309 2HD2 LEU 40 2HD2 LEU 40 -6.314 14.840 3.107 310 3HD2 LEU 40 3HD2 LEU 40 -6.248 14.762 1.346 311 H VAL 41 H VAL 41 -3.251 18.707 1.755 312 HA VAL 41 HA VAL 41 -3.639 19.937 4.284 313 HB VAL 41 HB VAL 41 -1.088 20.056 4.309 314 1HG1 VAL 41 1HG1 VAL 41 -1.206 18.085 5.328 315 2HG1 VAL 41 2HG1 VAL 41 -1.553 17.247 3.816 316 3HG1 VAL 41 3HG1 VAL 41 -2.867 17.966 4.747 317 1HG2 VAL 41 1HG2 VAL 41 -1.249 18.262 1.918 318 2HG2 VAL 41 2HG2 VAL 41 0.161 19.054 2.618 319 3HG2 VAL 41 3HG2 VAL 41 -1.039 20.002 1.740 320 H TRP 42 H TRP 42 -3.030 21.191 1.138 321 HA TRP 42 HA TRP 42 -2.985 23.318 0.352 322 1HB TRP 42 2HB TRP 42 -4.370 24.630 1.508 323 2HB TRP 42 1HB TRP 42 -4.223 23.565 2.895 324 HD1 TRP 42 HD TRP 42 -2.613 24.351 4.882 325 HE1 TRP 42 1HE TRP 42 -1.612 26.644 5.482 326 HE3 TRP 42 3HE TRP 42 -3.438 26.782 0.459 327 HZ2 TRP 42 2HZ TRP 42 -1.226 29.153 4.247 328 HZ3 TRP 42 3HZ TRP 42 -2.724 29.127 0.253 329 HH2 TRP 42 HH TRP 42 -1.641 30.286 2.109 330 H ILE 43 H ILE 43 -0.640 21.897 2.006 331 HA ILE 43 HA ILE 43 1.177 24.200 1.721 332 HB ILE 43 HB ILE 43 0.885 23.639 4.091 333 1HG1 ILE 43 2HG1 ILE 43 3.342 23.176 4.592 334 2HG1 ILE 43 1HG1 ILE 43 3.570 23.033 2.852 335 1HG2 ILE 43 1HG2 ILE 43 1.926 20.929 3.284 336 2HG2 ILE 43 2HG2 ILE 43 0.325 21.305 3.920 337 3HG2 ILE 43 3HG2 ILE 43 1.746 21.486 4.947 338 1HD1 ILE 43 1HD1 ILE 43 2.174 25.464 3.649 339 2HD1 ILE 43 2HD1 ILE 43 3.545 25.241 2.561 340 3HD1 ILE 43 3HD1 ILE 43 3.805 25.328 4.303 341 H TRP 44 H TRP 44 0.779 20.710 1.458 342 HA TRP 44 HA TRP 44 2.100 19.081 0.514 343 1HB TRP 44 2HB TRP 44 0.816 20.013 -1.364 344 2HB TRP 44 1HB TRP 44 2.101 21.178 -1.666 345 HD1 TRP 44 HD TRP 44 3.276 17.699 -0.823 346 HE1 TRP 44 1HE TRP 44 4.183 16.561 -2.946 347 HE3 TRP 44 3HE TRP 44 1.692 21.093 -4.301 348 HZ2 TRP 44 2HZ TRP 44 4.221 17.039 -5.727 349 HZ3 TRP 44 3HZ TRP 44 2.205 20.678 -6.672 350 HH2 TRP 44 HH TRP 44 3.444 18.693 -7.369 351 H ARG 45 H ARG 45 3.907 19.225 1.939 352 HA ARG 45 HA ARG 45 6.380 19.403 0.690 353 1HB ARG 45 2HB ARG 45 5.505 21.945 1.102 354 2HB ARG 45 1HB ARG 45 6.389 21.657 2.593 355 1HG ARG 45 2HG ARG 45 7.803 22.704 0.918 356 2HG ARG 45 1HG ARG 45 8.383 21.087 1.321 357 1HD ARG 45 2HD ARG 45 6.623 20.695 -0.796 358 2HD ARG 45 1HD ARG 45 7.506 22.161 -1.220 359 HE ARG 45 HE ARG 45 8.500 19.524 -1.297 360 1HH1 ARG 45 1HH1 ARG 45 9.461 22.758 -0.404 361 2HH1 ARG 45 2HH1 ARG 45 11.142 22.478 -0.713 362 1HH2 ARG 45 1HH2 ARG 45 10.711 19.154 -1.701 363 2HH2 ARG 45 2HH2 ARG 45 11.851 20.432 -1.449 364 HA PRO 46 HA PRO 46 6.955 19.091 5.532 365 1HB PRO 46 2HB PRO 46 4.147 18.871 6.422 366 2HB PRO 46 1HB PRO 46 5.477 19.801 7.118 367 1HG PRO 46 2HG PRO 46 3.476 21.005 5.813 368 2HG PRO 46 1HG PRO 46 5.145 21.594 5.694 369 1HD PRO 46 2HD PRO 46 3.569 19.952 3.747 370 2HD PRO 46 1HD PRO 46 4.677 21.305 3.441 371 H TRP 47 H TRP 47 3.837 17.600 4.622 372 HA TRP 47 HA TRP 47 3.176 15.429 4.458 373 1HB TRP 47 2HB TRP 47 5.211 15.349 2.945 374 2HB TRP 47 1HB TRP 47 6.105 14.705 4.317 375 HD1 TRP 47 HD TRP 47 3.157 13.013 5.020 376 HE1 TRP 47 1HE TRP 47 2.933 10.747 3.823 377 HE3 TRP 47 3HE TRP 47 6.666 13.677 1.359 378 HZ2 TRP 47 2HZ TRP 47 4.090 9.415 1.620 379 HZ3 TRP 47 3HZ TRP 47 7.045 11.858 -0.253 380 HH2 TRP 47 HH TRP 47 5.783 9.771 -0.124 381 H VAL 48 H VAL 48 2.392 15.454 6.604 382 HA VAL 48 HA VAL 48 2.167 14.691 8.737 383 HB VAL 48 HB VAL 48 4.265 12.658 7.971 384 1HG1 VAL 48 1HG1 VAL 48 3.218 13.107 10.422 385 2HG1 VAL 48 2HG1 VAL 48 3.759 11.528 9.852 386 3HG1 VAL 48 3HG1 VAL 48 2.049 11.955 9.774 387 1HG2 VAL 48 1HG2 VAL 48 2.768 11.500 6.758 388 2HG2 VAL 48 2HG2 VAL 48 1.943 13.052 6.614 389 3HG2 VAL 48 3HG2 VAL 48 1.434 11.893 7.842 390 HA PRO 49 HA PRO 49 6.300 16.689 9.882 391 1HB PRO 49 2HB PRO 49 5.410 19.176 10.453 392 2HB PRO 49 1HB PRO 49 5.897 18.695 8.823 393 1HG PRO 49 2HG PRO 49 3.151 18.904 9.997 394 2HG PRO 49 1HG PRO 49 3.729 19.423 8.402 395 1HD PRO 49 2HD PRO 49 2.368 17.102 8.805 396 2HD PRO 49 1HD PRO 49 3.574 17.306 7.520 397 H GLY 50 H GLY 50 3.091 17.377 11.279 398 1HA GLY 50 2HA GLY 50 2.325 16.905 13.419 399 2HA GLY 50 1HA GLY 50 3.912 16.264 13.814 400 HA PRO 51 HA PRO 51 3.349 20.376 15.957 401 1HB PRO 51 2HB PRO 51 4.042 19.520 18.434 402 2HB PRO 51 1HB PRO 51 2.389 19.422 17.817 403 1HG PRO 51 2HG PRO 51 4.486 17.290 17.961 404 2HG PRO 51 1HG PRO 51 2.759 17.187 18.349 405 1HD PRO 51 2HD PRO 51 3.786 16.301 16.003 406 2HD PRO 51 1HD PRO 51 2.147 16.969 16.139 407 H ASN 52 H ASN 52 5.211 20.980 14.700 408 HA ASN 52 HA ASN 52 7.501 21.507 16.233 409 1HB ASN 52 2HB ASN 52 7.705 18.970 15.665 410 2HB ASN 52 1HB ASN 52 8.157 19.542 14.061 411 1HD2 ASN 52 1HD2 ASN 52 9.441 18.403 16.740 412 2HD2 ASN 52 2HD2 ASN 52 10.939 19.263 16.789 413 H GLY 53 H GLY 53 7.169 23.564 15.394 414 1HA GLY 53 2HA GLY 53 7.463 25.299 13.923 415 2HA GLY 53 1HA GLY 53 8.587 24.245 13.079 416 H TYR 54 H TYR 54 7.591 25.614 11.284 417 HA TYR 54 HA TYR 54 5.687 23.955 9.900 418 1HB TYR 54 2HB TYR 54 4.028 25.704 9.511 419 2HB TYR 54 1HB TYR 54 4.193 25.389 11.235 420 HD1 TYR 54 1HD TYR 54 6.089 26.947 12.377 421 HD2 TYR 54 2HD TYR 54 3.853 27.911 8.889 422 HE1 TYR 54 1HE TYR 54 6.507 29.337 12.777 423 HE2 TYR 54 2HE TYR 54 4.266 30.303 9.278 424 HH TYR 54 HH TYR 54 6.352 31.604 10.698 425 H SER 55 H SER 55 8.433 24.868 9.563 426 HA SER 55 HA SER 55 8.338 26.730 7.336 427 1HB SER 55 2HB SER 55 10.563 25.386 8.853 428 2HB SER 55 1HB SER 55 10.875 26.226 7.334 429 HG SER 55 HG SER 55 9.742 27.326 9.692 Start of MODEL 2 1 1H ALA 1 1H ALA 1 -3.138 -35.952 -3.027 2 HA ALA 1 HA ALA 1 -1.002 -35.034 -1.401 3 1HB ALA 1 1HB ALA 1 0.197 -36.686 -2.984 4 2HB ALA 1 2HB ALA 1 0.906 -35.094 -2.720 5 3HB ALA 1 3HB ALA 1 -0.003 -35.421 -4.196 6 H GLU 2 H GLU 2 -1.706 -34.621 -4.874 7 HA GLU 2 HA GLU 2 -2.067 -31.756 -4.403 8 1HB GLU 2 2HB GLU 2 -0.533 -32.435 -6.198 9 2HB GLU 2 1HB GLU 2 -1.841 -33.300 -6.993 10 1HG GLU 2 2HG GLU 2 -3.017 -30.968 -6.941 11 2HG GLU 2 1HG GLU 2 -1.367 -30.371 -6.763 12 H VAL 3 H VAL 3 -3.999 -30.801 -4.439 13 HA VAL 3 HA VAL 3 -6.220 -31.975 -5.892 14 HB VAL 3 HB VAL 3 -6.513 -31.455 -2.933 15 1HG1 VAL 3 1HG1 VAL 3 -8.626 -32.847 -3.391 16 2HG1 VAL 3 2HG1 VAL 3 -8.343 -32.454 -5.087 17 3HG1 VAL 3 3HG1 VAL 3 -8.605 -31.163 -3.915 18 1HG2 VAL 3 1HG2 VAL 3 -6.186 -34.072 -4.396 19 2HG2 VAL 3 2HG2 VAL 3 -6.691 -33.917 -2.713 20 3HG2 VAL 3 3HG2 VAL 3 -5.086 -33.377 -3.205 21 H LYS 4 H LYS 4 -5.264 -29.484 -3.546 22 HA LYS 4 HA LYS 4 -5.360 -27.188 -3.783 23 1HB LYS 4 2HB LYS 4 -5.770 -27.733 -6.326 24 2HB LYS 4 1HB LYS 4 -7.436 -27.331 -5.934 25 1HG LYS 4 2HG LYS 4 -6.824 -25.123 -5.271 26 2HG LYS 4 1HG LYS 4 -5.106 -25.509 -5.385 27 1HD LYS 4 2HD LYS 4 -6.963 -25.686 -7.744 28 2HD LYS 4 1HD LYS 4 -6.115 -24.198 -7.316 29 1HE LYS 4 2HE LYS 4 -3.972 -25.397 -7.484 30 2HE LYS 4 1HE LYS 4 -4.841 -26.854 -7.966 31 1HZ LYS 4 1HZ LYS 4 -5.210 -26.059 -10.029 32 2HZ LYS 4 2HZ LYS 4 -3.840 -25.123 -9.701 33 3HZ LYS 4 3HZ LYS 4 -5.383 -24.454 -9.520 34 H GLN 5 H GLN 5 -6.746 -28.633 -1.936 35 HA GLN 5 HA GLN 5 -8.742 -26.813 -1.129 36 1HB GLN 5 2HB GLN 5 -9.782 -28.428 -3.001 37 2HB GLN 5 1HB GLN 5 -10.030 -29.449 -1.591 38 1HG GLN 5 2HG GLN 5 -11.997 -28.295 -1.633 39 2HG GLN 5 1HG GLN 5 -11.043 -27.268 -0.564 40 1HE2 GLN 5 1HE2 GLN 5 -13.148 -27.181 -3.018 41 2HE2 GLN 5 2HE2 GLN 5 -12.691 -25.696 -3.772 42 H GLU 6 H GLU 6 -7.522 -30.120 -0.885 43 HA GLU 6 HA GLU 6 -8.385 -30.715 1.699 44 1HB GLU 6 2HB GLU 6 -6.050 -31.636 0.051 45 2HB GLU 6 1HB GLU 6 -6.245 -32.189 1.708 46 1HG GLU 6 2HG GLU 6 -8.383 -32.473 -0.383 47 2HG GLU 6 1HG GLU 6 -7.159 -33.703 -0.071 48 H SER 7 H SER 7 -5.346 -29.214 0.627 49 HA SER 7 HA SER 7 -5.153 -27.541 2.884 50 1HB SER 7 2HB SER 7 -3.224 -28.563 4.014 51 2HB SER 7 1HB SER 7 -4.632 -29.623 4.052 52 HG SER 7 HG SER 7 -2.350 -30.387 3.333 53 H LEU 8 H LEU 8 -4.932 -26.360 0.846 54 HA LEU 8 HA LEU 8 -2.220 -25.600 0.378 55 1HB LEU 8 2HB LEU 8 -3.727 -26.865 -1.908 56 2HB LEU 8 1HB LEU 8 -2.205 -26.012 -2.044 57 HG LEU 8 HG LEU 8 -1.409 -27.864 -0.322 58 1HD1 LEU 8 1HD1 LEU 8 -2.674 -29.697 -0.117 59 2HD1 LEU 8 2HD1 LEU 8 -3.076 -29.717 -1.834 60 3HD1 LEU 8 3HD1 LEU 8 -3.997 -28.702 -0.724 61 1HD2 LEU 8 1HD2 LEU 8 -0.658 -27.343 -2.694 62 2HD2 LEU 8 2HD2 LEU 8 -1.770 -28.614 -3.203 63 3HD2 LEU 8 3HD2 LEU 8 -0.429 -28.996 -2.123 64 H SER 9 H SER 9 -5.633 -25.380 -0.399 65 HA SER 9 HA SER 9 -5.652 -23.170 -2.073 66 1HB SER 9 2HB SER 9 -7.939 -22.758 -1.256 67 2HB SER 9 1HB SER 9 -7.672 -24.478 -1.543 68 HG SER 9 HG SER 9 -8.725 -23.972 0.480 69 H GLY 10 H GLY 10 -5.118 -23.410 1.360 70 1HA GLY 10 2HA GLY 10 -5.400 -20.617 1.918 71 2HA GLY 10 1HA GLY 10 -4.664 -21.822 2.967 72 H ILE 11 H ILE 11 -2.888 -22.609 0.612 73 HA ILE 11 HA ILE 11 -0.754 -20.772 1.261 74 HB ILE 11 HB ILE 11 -0.680 -23.014 -0.755 75 1HG1 ILE 11 2HG1 ILE 11 -0.078 -23.113 2.210 76 2HG1 ILE 11 1HG1 ILE 11 -1.451 -23.876 1.414 77 1HG2 ILE 11 1HG2 ILE 11 1.752 -23.005 -0.096 78 2HG2 ILE 11 2HG2 ILE 11 1.432 -21.491 0.751 79 3HG2 ILE 11 3HG2 ILE 11 1.199 -21.592 -0.995 80 1HD1 ILE 11 1HD1 ILE 11 0.318 -25.125 0.035 81 2HD1 ILE 11 2HD1 ILE 11 0.052 -25.611 1.709 82 3HD1 ILE 11 3HD1 ILE 11 1.443 -24.609 1.290 83 H THR 12 H THR 12 -2.514 -21.747 -1.669 84 HA THR 12 HA THR 12 -1.214 -19.972 -3.428 85 HB THR 12 HB THR 12 -3.586 -20.266 -4.640 86 HG1 THR 12 1HG THR 12 -4.748 -21.865 -3.864 87 1HG2 THR 12 1HG2 THR 12 -1.283 -21.272 -5.213 88 2HG2 THR 12 2HG2 THR 12 -2.741 -22.053 -5.826 89 3HG2 THR 12 3HG2 THR 12 -1.905 -22.722 -4.425 90 H GLU 13 H GLU 13 -4.306 -19.694 -1.684 91 HA GLU 13 HA GLU 13 -4.808 -17.037 -2.591 92 1HB GLU 13 2HB GLU 13 -6.685 -17.047 -1.115 93 2HB GLU 13 1HB GLU 13 -6.565 -18.658 -1.809 94 1HG GLU 13 2HG GLU 13 -6.768 -19.382 0.284 95 2HG GLU 13 1HG GLU 13 -5.082 -18.904 0.473 96 H GLY 14 H GLY 14 -3.094 -18.440 0.091 97 1HA GLY 14 2HA GLY 14 -3.016 -16.192 1.794 98 2HA GLY 14 1HA GLY 14 -1.854 -17.511 1.787 99 H GLU 15 H GLU 15 -0.433 -17.410 -0.345 100 HA GLU 15 HA GLU 15 1.168 -15.100 -0.106 101 1HB GLU 15 2HB GLU 15 2.377 -15.987 -2.076 102 2HB GLU 15 1HB GLU 15 2.124 -17.208 -0.834 103 1HG GLU 15 2HG GLU 15 -0.018 -17.734 -2.275 104 2HG GLU 15 1HG GLU 15 0.943 -16.982 -3.548 105 H ALA 16 H ALA 16 -1.202 -16.126 -2.517 106 HA ALA 16 HA ALA 16 -0.898 -14.027 -4.337 107 1HB ALA 16 1HB ALA 16 -3.463 -15.470 -3.680 108 2HB ALA 16 2HB ALA 16 -2.199 -16.112 -4.729 109 3HB ALA 16 3HB ALA 16 -3.062 -14.642 -5.184 110 H LYS 17 H LYS 17 -2.811 -14.302 -1.394 111 HA LYS 17 HA LYS 17 -4.177 -11.823 -1.691 112 1HB LYS 17 2HB LYS 17 -5.050 -13.624 -0.276 113 2HB LYS 17 1HB LYS 17 -3.651 -13.484 0.781 114 1HG LYS 17 2HG LYS 17 -5.346 -12.345 1.901 115 2HG LYS 17 1HG LYS 17 -4.388 -11.068 1.149 116 1HD LYS 17 2HD LYS 17 -6.064 -10.447 -0.225 117 2HD LYS 17 1HD LYS 17 -6.588 -12.109 -0.500 118 1HE LYS 17 2HE LYS 17 -7.336 -11.872 2.042 119 2HE LYS 17 1HE LYS 17 -7.414 -10.171 1.588 120 1HZ LYS 17 1HZ LYS 17 -8.708 -11.206 -0.449 121 2HZ LYS 17 2HZ LYS 17 -9.491 -10.809 0.996 122 3HZ LYS 17 3HZ LYS 17 -9.052 -12.413 0.686 123 H GLU 18 H GLU 18 -1.113 -12.799 -0.343 124 HA GLU 18 HA GLU 18 -0.604 -10.464 1.178 125 1HB GLU 18 2HB GLU 18 0.607 -12.868 0.988 126 2HB GLU 18 1HB GLU 18 1.695 -11.911 -0.008 127 1HG GLU 18 2HG GLU 18 1.795 -10.280 1.935 128 2HG GLU 18 1HG GLU 18 1.016 -11.541 2.890 129 H PHE 19 H PHE 19 0.875 -11.484 -1.900 130 HA PHE 19 HA PHE 19 2.062 -9.045 -2.505 131 1HB PHE 19 2HB PHE 19 1.745 -11.581 -3.764 132 2HB PHE 19 1HB PHE 19 1.355 -10.333 -4.943 133 HD1 PHE 19 1HD PHE 19 3.099 -9.743 -6.296 134 HD2 PHE 19 2HD PHE 19 3.908 -10.809 -2.256 135 HE1 PHE 19 1HE PHE 19 5.497 -9.354 -6.678 136 HE2 PHE 19 2HE PHE 19 6.308 -10.422 -2.631 137 HZ PHE 19 HZ PHE 19 7.106 -9.693 -4.844 138 H HIS 20 H HIS 20 -1.165 -10.256 -3.233 139 HA HIS 20 HA HIS 20 -1.883 -8.146 -4.995 140 1HB HIS 20 2HB HIS 20 -3.002 -10.411 -4.826 141 2HB HIS 20 1HB HIS 20 -3.779 -9.830 -3.357 142 HD1 HIS 20 1HD HIS 20 -3.816 -9.426 -7.073 143 HD2 HIS 20 2HD HIS 20 -5.853 -7.992 -3.746 144 HE1 HIS 20 1HE HIS 20 -5.846 -8.252 -7.982 145 HE2 HIS 20 2HE HIS 20 -7.112 -7.476 -5.946 146 H LYS 21 H LYS 21 -2.562 -8.742 -1.554 147 HA LYS 21 HA LYS 21 -4.046 -6.371 -1.152 148 1HB LYS 21 2HB LYS 21 -2.588 -8.202 0.747 149 2HB LYS 21 1HB LYS 21 -3.503 -6.805 1.296 150 1HG LYS 21 2HG LYS 21 -4.695 -9.002 -0.373 151 2HG LYS 21 1HG LYS 21 -4.708 -9.001 1.392 152 1HD LYS 21 2HD LYS 21 -6.712 -7.990 1.056 153 2HD LYS 21 1HD LYS 21 -5.690 -6.553 0.963 154 1HE LYS 21 2HE LYS 21 -6.043 -6.287 -1.249 155 2HE LYS 21 1HE LYS 21 -6.035 -8.022 -1.563 156 1HZ LYS 21 1HZ LYS 21 -8.273 -6.312 -0.693 157 2HZ LYS 21 2HZ LYS 21 -8.301 -7.975 -0.385 158 3HZ LYS 21 3HZ LYS 21 -8.210 -7.412 -1.977 159 H ILE 22 H ILE 22 -0.626 -7.147 -0.633 160 HA ILE 22 HA ILE 22 0.103 -4.709 0.540 161 HB ILE 22 HB ILE 22 2.373 -5.330 0.122 162 1HG1 ILE 22 2HG1 ILE 22 1.326 -7.420 -1.782 163 2HG1 ILE 22 1HG1 ILE 22 2.169 -5.947 -2.247 164 1HG2 ILE 22 1HG2 ILE 22 1.919 -6.670 1.843 165 2HG2 ILE 22 2HG2 ILE 22 2.022 -7.966 0.652 166 3HG2 ILE 22 3HG2 ILE 22 0.451 -7.294 1.090 167 1HD1 ILE 22 1HD1 ILE 22 3.242 -8.389 -0.911 168 2HD1 ILE 22 2HD1 ILE 22 4.068 -6.839 -0.747 169 3HD1 ILE 22 3HD1 ILE 22 3.826 -7.546 -2.346 170 H PHE 23 H PHE 23 0.128 -5.784 -2.841 171 HA PHE 23 HA PHE 23 1.308 -3.468 -3.924 172 1HB PHE 23 2HB PHE 23 0.814 -5.790 -5.016 173 2HB PHE 23 1HB PHE 23 -0.734 -5.066 -5.437 174 HD1 PHE 23 1HD PHE 23 -0.932 -3.679 -7.301 175 HD2 PHE 23 2HD PHE 23 2.930 -4.617 -5.778 176 HE1 PHE 23 1HE PHE 23 0.096 -2.629 -9.273 177 HE2 PHE 23 2HE PHE 23 3.966 -3.568 -7.749 178 HZ PHE 23 HZ PHE 23 2.548 -2.572 -9.500 179 H THR 24 H THR 24 -2.123 -4.437 -3.878 180 HA THR 24 HA THR 24 -3.210 -2.098 -4.869 181 HB THR 24 HB THR 24 -4.170 -4.503 -3.890 182 HG1 THR 24 1HG THR 24 -5.012 -3.340 -5.628 183 1HG2 THR 24 1HG2 THR 24 -6.020 -3.943 -2.410 184 2HG2 THR 24 2HG2 THR 24 -5.407 -2.297 -2.260 185 3HG2 THR 24 3HG2 THR 24 -4.462 -3.650 -1.638 186 H SER 25 H SER 25 -2.573 -2.973 -1.484 187 HA SER 25 HA SER 25 -3.585 -0.723 -0.231 188 1HB SER 25 2HB SER 25 -2.756 -2.713 0.974 189 2HB SER 25 1HB SER 25 -1.102 -2.276 0.544 190 HG SER 25 HG SER 25 -1.119 -0.721 1.994 191 H SER 26 H SER 26 -0.301 -1.247 -1.479 192 HA SER 26 HA SER 26 0.797 1.214 -0.794 193 1HB SER 26 2HB SER 26 2.569 0.691 -2.247 194 2HB SER 26 1HB SER 26 1.942 -0.885 -1.765 195 HG SER 26 HG SER 26 1.207 -1.216 -3.737 196 H ILE 27 H ILE 27 -1.123 0.281 -3.601 197 HA ILE 27 HA ILE 27 -0.746 2.667 -5.073 198 HB ILE 27 HB ILE 27 -3.122 0.807 -5.195 199 1HG1 ILE 27 2HG1 ILE 27 -0.798 0.665 -7.075 200 2HG1 ILE 27 1HG1 ILE 27 -0.667 -0.106 -5.498 201 1HG2 ILE 27 1HG2 ILE 27 -2.773 3.237 -6.418 202 2HG2 ILE 27 2HG2 ILE 27 -3.836 1.948 -6.980 203 3HG2 ILE 27 3HG2 ILE 27 -2.209 2.103 -7.645 204 1HD1 ILE 27 1HD1 ILE 27 -1.772 -1.860 -6.254 205 2HD1 ILE 27 2HD1 ILE 27 -1.870 -1.100 -7.843 206 3HD1 ILE 27 3HD1 ILE 27 -3.154 -0.841 -6.661 207 H LEU 28 H LEU 28 -3.458 1.607 -3.016 208 HA LEU 28 HA LEU 28 -4.934 3.998 -3.243 209 1HB LEU 28 2HB LEU 28 -5.054 2.141 -0.884 210 2HB LEU 28 1HB LEU 28 -6.337 3.136 -1.547 211 HG LEU 28 HG LEU 28 -5.290 1.168 -3.448 212 1HD1 LEU 28 1HD1 LEU 28 -6.509 0.283 -0.849 213 2HD1 LEU 28 2HD1 LEU 28 -5.016 -0.274 -1.606 214 3HD1 LEU 28 3HD1 LEU 28 -6.575 -0.693 -2.316 215 1HD2 LEU 28 1HD2 LEU 28 -7.401 2.678 -3.496 216 2HD2 LEU 28 2HD2 LEU 28 -8.111 1.411 -2.496 217 3HD2 LEU 28 3HD2 LEU 28 -7.497 1.026 -4.105 218 H VAL 29 H VAL 29 -2.590 2.908 -0.856 219 HA VAL 29 HA VAL 29 -2.887 5.098 0.899 220 HB VAL 29 HB VAL 29 -0.919 4.283 2.012 221 1HG1 VAL 29 1HG1 VAL 29 -2.555 2.907 2.745 222 2HG1 VAL 29 2HG1 VAL 29 -1.562 1.697 1.931 223 3HG1 VAL 29 3HG1 VAL 29 -2.978 2.367 1.120 224 1HG2 VAL 29 1HG2 VAL 29 -0.448 2.769 -0.524 225 2HG2 VAL 29 2HG2 VAL 29 0.286 2.272 0.998 226 3HG2 VAL 29 3HG2 VAL 29 0.642 3.863 0.324 227 H PHE 30 H PHE 30 -0.616 4.353 -1.721 228 HA PHE 30 HA PHE 30 1.026 6.634 -1.399 229 1HB PHE 30 2HB PHE 30 1.639 4.608 -2.719 230 2HB PHE 30 1HB PHE 30 0.461 5.083 -3.938 231 HD1 PHE 30 1HD PHE 30 0.771 7.453 -4.955 232 HD2 PHE 30 2HD PHE 30 3.828 5.311 -2.912 233 HE1 PHE 30 1HE PHE 30 2.476 8.833 -6.069 234 HE2 PHE 30 2HE PHE 30 5.539 6.687 -4.022 235 HZ PHE 30 HZ PHE 30 4.864 8.452 -5.602 236 H PHE 31 H PHE 31 -1.953 6.035 -3.068 237 HA PHE 31 HA PHE 31 -2.010 8.700 -4.253 238 1HB PHE 31 2HB PHE 31 -2.900 6.261 -5.182 239 2HB PHE 31 1HB PHE 31 -4.384 7.012 -4.605 240 HD1 PHE 31 1HD PHE 31 -3.952 9.828 -5.217 241 HD2 PHE 31 2HD PHE 31 -2.983 6.361 -7.486 242 HE1 PHE 31 1HE PHE 31 -4.089 11.150 -7.287 243 HE2 PHE 31 2HE PHE 31 -3.118 7.677 -9.561 244 HZ PHE 31 HZ PHE 31 -3.671 10.075 -9.463 245 H GLY 32 H GLY 32 -3.025 7.026 -1.502 246 1HA GLY 32 2HA GLY 32 -5.355 8.648 -0.947 247 2HA GLY 32 1HA GLY 32 -4.620 7.449 0.121 248 H VAL 33 H VAL 33 -2.011 8.364 -0.135 249 HA VAL 33 HA VAL 33 -1.928 10.430 1.830 250 HB VAL 33 HB VAL 33 0.480 10.150 1.659 251 1HG1 VAL 33 1HG1 VAL 33 0.400 7.482 1.891 252 2HG1 VAL 33 2HG1 VAL 33 -1.312 7.868 2.072 253 3HG1 VAL 33 3HG1 VAL 33 -0.125 8.587 3.161 254 1HG2 VAL 33 1HG2 VAL 33 1.339 8.329 0.129 255 2HG2 VAL 33 2HG2 VAL 33 0.912 9.878 -0.600 256 3HG2 VAL 33 3HG2 VAL 33 -0.192 8.511 -0.720 257 H ALA 34 H ALA 34 -1.009 10.058 -1.566 258 HA ALA 34 HA ALA 34 0.005 12.643 -1.981 259 1HB ALA 34 1HB ALA 34 -0.975 10.459 -3.769 260 2HB ALA 34 2HB ALA 34 0.639 11.156 -3.629 261 3HB ALA 34 3HB ALA 34 -0.643 12.056 -4.440 262 H ALA 35 H ALA 35 -3.201 11.219 -2.325 263 HA ALA 35 HA ALA 35 -4.493 13.434 -3.493 264 1HB ALA 35 1HB ALA 35 -5.704 11.456 -3.638 265 2HB ALA 35 2HB ALA 35 -6.558 12.329 -2.365 266 3HB ALA 35 3HB ALA 35 -5.425 11.043 -1.946 267 H PHE 36 H PHE 36 -4.514 12.287 -0.118 268 HA PHE 36 HA PHE 36 -5.698 14.631 0.931 269 1HB PHE 36 2HB PHE 36 -4.008 12.493 2.252 270 2HB PHE 36 1HB PHE 36 -4.841 13.771 3.131 271 HD1 PHE 36 1HD PHE 36 -5.067 10.538 2.896 272 HD2 PHE 36 2HD PHE 36 -7.411 13.887 1.714 273 HE1 PHE 36 1HE PHE 36 -7.093 9.145 2.984 274 HE2 PHE 36 2HE PHE 36 -9.442 12.500 1.800 275 HZ PHE 36 HZ PHE 36 -9.285 10.126 2.436 276 H ALA 37 H ALA 37 -2.444 13.679 0.159 277 HA ALA 37 HA ALA 37 -0.942 15.511 1.618 278 1HB ALA 37 1HB ALA 37 0.611 15.323 -0.484 279 2HB ALA 37 2HB ALA 37 -0.545 14.091 -0.978 280 3HB ALA 37 3HB ALA 37 0.332 13.912 0.538 281 H HIS 38 H HIS 38 -2.346 15.836 -1.634 282 HA HIS 38 HA HIS 38 -1.532 18.546 -1.963 283 1HB HIS 38 2HB HIS 38 -3.623 16.877 -3.378 284 2HB HIS 38 1HB HIS 38 -3.205 18.521 -3.851 285 HD1 HIS 38 1HD HIS 38 -0.072 17.371 -2.957 286 HD2 HIS 38 2HD HIS 38 -2.596 16.434 -6.122 287 HE1 HIS 38 1HE HIS 38 1.414 16.396 -4.736 288 HE2 HIS 38 2HE HIS 38 -0.141 15.791 -6.624 289 H LEU 39 H LEU 39 -4.391 16.919 -0.747 290 HA LEU 39 HA LEU 39 -6.005 19.256 -0.524 291 1HB LEU 39 2HB LEU 39 -6.457 16.567 -0.323 292 2HB LEU 39 1HB LEU 39 -6.543 17.062 1.357 293 HG LEU 39 HG LEU 39 -8.237 18.797 0.655 294 1HD1 LEU 39 1HD1 LEU 39 -9.426 18.154 -1.513 295 2HD1 LEU 39 2HD1 LEU 39 -7.938 17.304 -1.930 296 3HD1 LEU 39 3HD1 LEU 39 -7.910 19.045 -1.647 297 1HD2 LEU 39 1HD2 LEU 39 -8.871 15.879 0.240 298 2HD2 LEU 39 2HD2 LEU 39 -10.072 17.149 0.471 299 3HD2 LEU 39 3HD2 LEU 39 -8.929 16.770 1.761 300 H LEU 40 H LEU 40 -3.405 17.991 1.307 301 HA LEU 40 HA LEU 40 -4.145 19.450 3.721 302 1HB LEU 40 2HB LEU 40 -1.832 17.612 3.115 303 2HB LEU 40 1HB LEU 40 -2.076 18.411 4.656 304 HG LEU 40 HG LEU 40 -4.339 16.782 3.660 305 1HD1 LEU 40 1HD1 LEU 40 -2.185 15.500 3.158 306 2HD1 LEU 40 2HD1 LEU 40 -3.406 14.692 4.139 307 3HD1 LEU 40 3HD1 LEU 40 -1.986 15.400 4.908 308 1HD2 LEU 40 1HD2 LEU 40 -4.321 18.002 5.824 309 2HD2 LEU 40 2HD2 LEU 40 -3.002 16.959 6.354 310 3HD2 LEU 40 3HD2 LEU 40 -4.582 16.266 5.988 311 H VAL 41 H VAL 41 -2.173 19.824 0.923 312 HA VAL 41 HA VAL 41 -0.182 21.516 2.001 313 HB VAL 41 HB VAL 41 -0.034 20.379 -0.223 314 1HG1 VAL 41 1HG1 VAL 41 -1.192 22.431 -1.822 315 2HG1 VAL 41 2HG1 VAL 41 -2.421 21.816 -0.717 316 3HG1 VAL 41 3HG1 VAL 41 -1.567 20.708 -1.790 317 1HG2 VAL 41 1HG2 VAL 41 1.450 22.248 0.498 318 2HG2 VAL 41 2HG2 VAL 41 0.387 23.359 -0.366 319 3HG2 VAL 41 3HG2 VAL 41 1.262 22.109 -1.251 320 H TRP 42 H TRP 42 -3.490 22.049 1.518 321 HA TRP 42 HA TRP 42 -4.806 23.874 1.847 322 1HB TRP 42 2HB TRP 42 -2.779 24.356 3.514 323 2HB TRP 42 1HB TRP 42 -2.505 25.685 2.394 324 HD1 TRP 42 HD TRP 42 -6.069 25.388 2.294 325 HE1 TRP 42 1HE TRP 42 -7.231 26.953 3.975 326 HE3 TRP 42 3HE TRP 42 -2.057 26.527 5.253 327 HZ2 TRP 42 2HZ TRP 42 -6.539 28.469 6.252 328 HZ3 TRP 42 3HZ TRP 42 -2.393 28.043 7.163 329 HH2 TRP 42 HH TRP 42 -4.589 28.993 7.650 330 H ILE 43 H ILE 43 -4.763 23.492 -0.604 331 HA ILE 43 HA ILE 43 -4.311 26.088 -1.861 332 HB ILE 43 HB ILE 43 -3.321 23.532 -3.132 333 1HG1 ILE 43 2HG1 ILE 43 -1.916 24.274 -1.224 334 2HG1 ILE 43 1HG1 ILE 43 -1.075 24.379 -2.768 335 1HG2 ILE 43 1HG2 ILE 43 -4.166 25.830 -4.359 336 2HG2 ILE 43 2HG2 ILE 43 -3.036 24.661 -5.041 337 3HG2 ILE 43 3HG2 ILE 43 -2.429 26.094 -4.213 338 1HD1 ILE 43 1HD1 ILE 43 -1.232 26.352 -0.873 339 2HD1 ILE 43 2HD1 ILE 43 -2.440 26.842 -2.060 340 3HD1 ILE 43 3HD1 ILE 43 -0.771 26.569 -2.561 341 H TRP 44 H TRP 44 -5.658 22.830 -2.089 342 HA TRP 44 HA TRP 44 -7.790 22.205 -2.696 343 1HB TRP 44 2HB TRP 44 -8.197 24.887 -2.520 344 2HB TRP 44 1HB TRP 44 -8.457 24.633 -4.243 345 HD1 TRP 44 HD TRP 44 -10.067 22.037 -4.393 346 HE1 TRP 44 1HE TRP 44 -12.411 21.824 -3.352 347 HE3 TRP 44 3HE TRP 44 -9.797 25.847 -0.994 348 HZ2 TRP 44 2HZ TRP 44 -13.944 23.102 -1.355 349 HZ3 TRP 44 3HZ TRP 44 -11.746 26.286 0.443 350 HH2 TRP 44 HH TRP 44 -13.776 24.941 0.264 351 H ARG 45 H ARG 45 -5.308 21.953 -4.165 352 HA ARG 45 HA ARG 45 -6.247 20.749 -6.504 353 1HB ARG 45 2HB ARG 45 -5.126 22.320 -8.162 354 2HB ARG 45 1HB ARG 45 -6.649 22.867 -7.474 355 1HG ARG 45 2HG ARG 45 -5.439 24.290 -5.905 356 2HG ARG 45 1HG ARG 45 -3.906 23.733 -6.582 357 1HD ARG 45 2HD ARG 45 -4.677 25.948 -7.443 358 2HD ARG 45 1HD ARG 45 -4.388 24.737 -8.691 359 HE ARG 45 HE ARG 45 -6.618 24.787 -9.216 360 1HH1 ARG 45 1HH1 ARG 45 -6.135 26.380 -6.149 361 2HH1 ARG 45 2HH1 ARG 45 -7.757 26.980 -6.063 362 1HH2 ARG 45 1HH2 ARG 45 -8.752 25.576 -9.105 363 2HH2 ARG 45 2HH2 ARG 45 -9.242 26.524 -7.741 364 HA PRO 46 HA PRO 46 -2.275 18.870 -6.265 365 1HB PRO 46 2HB PRO 46 -1.706 18.379 -8.898 366 2HB PRO 46 1HB PRO 46 -2.838 17.418 -7.941 367 1HG PRO 46 2HG PRO 46 -3.393 19.631 -9.878 368 2HG PRO 46 1HG PRO 46 -4.245 18.089 -9.663 369 1HD PRO 46 2HD PRO 46 -5.211 20.397 -8.671 370 2HD PRO 46 1HD PRO 46 -5.422 18.851 -7.824 371 H TRP 47 H TRP 47 -0.526 19.998 -5.702 372 HA TRP 47 HA TRP 47 0.259 22.465 -6.675 373 1HB TRP 47 2HB TRP 47 1.060 21.260 -4.574 374 2HB TRP 47 1HB TRP 47 2.203 20.417 -5.613 375 HD1 TRP 47 HD TRP 47 4.145 21.932 -6.768 376 HE1 TRP 47 1HE TRP 47 5.211 24.148 -6.008 377 HE3 TRP 47 3HE TRP 47 0.599 23.429 -3.403 378 HZ2 TRP 47 2HZ TRP 47 4.627 26.252 -4.219 379 HZ3 TRP 47 3HZ TRP 47 0.928 25.556 -2.209 380 HH2 TRP 47 HH TRP 47 2.902 26.936 -2.610 381 H VAL 48 H VAL 48 0.895 19.286 -7.948 382 HA VAL 48 HA VAL 48 3.036 20.036 -9.674 383 HB VAL 48 HB VAL 48 1.181 17.683 -10.020 384 1HG1 VAL 48 1HG1 VAL 48 2.777 18.355 -11.874 385 2HG1 VAL 48 2HG1 VAL 48 2.904 16.696 -11.289 386 3HG1 VAL 48 3HG1 VAL 48 4.081 17.905 -10.776 387 1HG2 VAL 48 1HG2 VAL 48 1.897 17.262 -7.888 388 2HG2 VAL 48 2HG2 VAL 48 3.400 18.160 -8.097 389 3HG2 VAL 48 3HG2 VAL 48 3.228 16.551 -8.801 390 HA PRO 49 HA PRO 49 0.254 22.140 -12.551 391 1HB PRO 49 2HB PRO 49 2.217 23.050 -14.203 392 2HB PRO 49 1HB PRO 49 1.793 23.838 -12.678 393 1HG PRO 49 2HG PRO 49 4.034 21.943 -13.273 394 2HG PRO 49 1HG PRO 49 4.053 23.435 -12.312 395 1HD PRO 49 2HD PRO 49 3.938 20.988 -11.174 396 2HD PRO 49 1HD PRO 49 3.138 22.404 -10.460 397 H GLY 50 H GLY 50 -0.239 19.714 -12.990 398 1HA GLY 50 2HA GLY 50 -0.652 18.102 -14.569 399 2HA GLY 50 1HA GLY 50 -0.222 19.312 -15.767 400 HA PRO 51 HA PRO 51 3.112 15.902 -15.226 401 1HB PRO 51 2HB PRO 51 2.405 14.168 -17.185 402 2HB PRO 51 1HB PRO 51 1.826 14.017 -15.522 403 1HG PRO 51 2HG PRO 51 0.446 15.184 -17.910 404 2HG PRO 51 1HG PRO 51 -0.204 14.111 -16.656 405 1HD PRO 51 2HD PRO 51 -0.627 16.788 -16.654 406 2HD PRO 51 1HD PRO 51 -0.508 15.837 -15.161 407 H ASN 52 H ASN 52 1.538 17.377 -17.994 408 HA ASN 52 HA ASN 52 4.184 17.754 -19.225 409 1HB ASN 52 2HB ASN 52 2.872 16.006 -20.431 410 2HB ASN 52 1HB ASN 52 1.629 17.211 -20.751 411 1HD2 ASN 52 1HD2 ASN 52 1.738 17.589 -22.853 412 2HD2 ASN 52 2HD2 ASN 52 3.169 18.011 -23.726 413 H GLY 53 H GLY 53 2.662 19.510 -17.490 414 1HA GLY 53 2HA GLY 53 2.394 21.805 -17.398 415 2HA GLY 53 1HA GLY 53 2.799 21.883 -19.105 416 H TYR 54 H TYR 54 0.878 23.538 -18.247 417 HA TYR 54 HA TYR 54 -1.735 22.349 -18.531 418 1HB TYR 54 2HB TYR 54 -1.320 24.284 -17.028 419 2HB TYR 54 1HB TYR 54 -0.958 25.271 -18.441 420 HD1 TYR 54 1HD TYR 54 -2.651 26.646 -19.173 421 HD2 TYR 54 2HD TYR 54 -3.680 22.974 -17.286 422 HE1 TYR 54 1HE TYR 54 -5.035 27.206 -19.396 423 HE2 TYR 54 2HE TYR 54 -6.066 23.522 -17.506 424 HH TYR 54 HH TYR 54 -7.449 25.086 -19.187 425 H SER 55 H SER 55 -3.299 23.169 -20.138 426 HA SER 55 HA SER 55 -2.080 23.167 -22.775 427 1HB SER 55 2HB SER 55 -5.033 23.375 -22.435 428 2HB SER 55 1HB SER 55 -4.095 22.410 -23.575 429 HG SER 55 HG SER 55 -4.765 20.911 -22.194 Start of MODEL 3 1 1H ALA 1 1H ALA 1 6.197 -33.399 -5.411 2 HA ALA 1 HA ALA 1 5.432 -35.784 -4.076 3 1HB ALA 1 1HB ALA 1 5.965 -34.712 -1.696 4 2HB ALA 1 2HB ALA 1 7.343 -34.078 -2.594 5 3HB ALA 1 3HB ALA 1 7.071 -35.819 -2.509 6 H GLU 2 H GLU 2 3.355 -35.576 -3.507 7 HA GLU 2 HA GLU 2 1.311 -34.653 -3.130 8 1HB GLU 2 2HB GLU 2 2.862 -33.630 -1.217 9 2HB GLU 2 1HB GLU 2 2.492 -32.135 -2.066 10 1HG GLU 2 2HG GLU 2 0.158 -33.816 -1.555 11 2HG GLU 2 1HG GLU 2 0.978 -33.254 -0.097 12 H VAL 3 H VAL 3 2.654 -34.164 -5.649 13 HA VAL 3 HA VAL 3 1.755 -31.478 -6.383 14 HB VAL 3 HB VAL 3 2.828 -32.046 -8.608 15 1HG1 VAL 3 1HG1 VAL 3 4.311 -31.789 -6.028 16 2HG1 VAL 3 2HG1 VAL 3 4.089 -30.607 -7.318 17 3HG1 VAL 3 3HG1 VAL 3 5.202 -31.956 -7.540 18 1HG2 VAL 3 1HG2 VAL 3 3.891 -34.000 -8.982 19 2HG2 VAL 3 2HG2 VAL 3 2.796 -34.600 -7.735 20 3HG2 VAL 3 3HG2 VAL 3 4.445 -34.139 -7.314 21 H LYS 4 H LYS 4 -0.482 -31.771 -6.396 22 HA LYS 4 HA LYS 4 -1.598 -32.660 -8.828 23 1HB LYS 4 2HB LYS 4 -1.115 -34.790 -7.224 24 2HB LYS 4 1HB LYS 4 -2.733 -34.355 -6.688 25 1HG LYS 4 2HG LYS 4 -3.004 -35.962 -8.388 26 2HG LYS 4 1HG LYS 4 -3.425 -34.408 -9.109 27 1HD LYS 4 2HD LYS 4 -1.451 -34.313 -10.348 28 2HD LYS 4 1HD LYS 4 -0.641 -35.499 -9.323 29 1HE LYS 4 2HE LYS 4 -1.123 -36.922 -10.996 30 2HE LYS 4 1HE LYS 4 -2.720 -36.964 -10.251 31 1HZ LYS 4 1HZ LYS 4 -3.564 -35.470 -11.816 32 2HZ LYS 4 2HZ LYS 4 -2.615 -36.530 -12.729 33 3HZ LYS 4 3HZ LYS 4 -2.029 -34.991 -12.342 34 H GLN 5 H GLN 5 -1.751 -30.297 -7.514 35 HA GLN 5 HA GLN 5 -3.106 -28.822 -6.339 36 1HB GLN 5 2HB GLN 5 -5.180 -28.439 -7.626 37 2HB GLN 5 1HB GLN 5 -3.767 -28.625 -8.655 38 1HG GLN 5 2HG GLN 5 -4.422 -30.990 -9.028 39 2HG GLN 5 1HG GLN 5 -5.900 -30.677 -8.121 40 1HE2 GLN 5 1HE2 GLN 5 -6.711 -28.282 -8.987 41 2HE2 GLN 5 2HE2 GLN 5 -7.044 -28.314 -10.682 42 H GLU 6 H GLU 6 -3.033 -30.993 -4.719 43 HA GLU 6 HA GLU 6 -5.563 -32.131 -4.146 44 1HB GLU 6 2HB GLU 6 -2.987 -31.907 -2.613 45 2HB GLU 6 1HB GLU 6 -4.422 -32.605 -1.875 46 1HG GLU 6 2HG GLU 6 -4.327 -33.969 -4.213 47 2HG GLU 6 1HG GLU 6 -2.612 -33.702 -3.903 48 H SER 7 H SER 7 -3.885 -29.263 -3.003 49 HA SER 7 HA SER 7 -6.266 -27.978 -2.212 50 1HB SER 7 2HB SER 7 -6.257 -28.102 0.118 51 2HB SER 7 1HB SER 7 -5.833 -29.748 -0.351 52 HG SER 7 HG SER 7 -3.859 -29.470 0.392 53 H LEU 8 H LEU 8 -3.893 -27.450 -3.733 54 HA LEU 8 HA LEU 8 -2.101 -25.765 -2.362 55 1HB LEU 8 2HB LEU 8 -1.225 -25.169 -4.443 56 2HB LEU 8 1HB LEU 8 -1.766 -26.827 -4.624 57 HG LEU 8 HG LEU 8 -3.108 -24.345 -5.690 58 1HD1 LEU 8 1HD1 LEU 8 -1.571 -24.810 -7.284 59 2HD1 LEU 8 2HD1 LEU 8 -2.811 -25.956 -7.793 60 3HD1 LEU 8 3HD1 LEU 8 -1.444 -26.509 -6.826 61 1HD2 LEU 8 1HD2 LEU 8 -4.774 -25.890 -6.662 62 2HD2 LEU 8 2HD2 LEU 8 -4.838 -25.829 -4.900 63 3HD2 LEU 8 3HD2 LEU 8 -4.078 -27.200 -5.708 64 H SER 9 H SER 9 -5.348 -25.248 -2.972 65 HA SER 9 HA SER 9 -5.486 -22.590 -3.774 66 1HB SER 9 2HB SER 9 -7.695 -22.545 -2.687 67 2HB SER 9 1HB SER 9 -7.464 -24.040 -3.592 68 HG SER 9 HG SER 9 -8.176 -23.864 -1.121 69 H GLY 10 H GLY 10 -4.455 -23.970 -0.783 70 1HA GLY 10 2HA GLY 10 -4.807 -21.595 0.796 71 2HA GLY 10 1HA GLY 10 -3.909 -23.034 1.258 72 H ILE 11 H ILE 11 -2.218 -22.998 -1.131 73 HA ILE 11 HA ILE 11 -0.258 -21.108 -0.151 74 HB ILE 11 HB ILE 11 -0.130 -23.093 -2.429 75 1HG1 ILE 11 2HG1 ILE 11 1.470 -24.239 -0.825 76 2HG1 ILE 11 1HG1 ILE 11 0.901 -23.122 0.410 77 1HG2 ILE 11 1HG2 ILE 11 2.429 -22.621 -1.975 78 2HG2 ILE 11 2HG2 ILE 11 1.805 -21.056 -1.455 79 3HG2 ILE 11 3HG2 ILE 11 1.494 -21.629 -3.094 80 1HD1 ILE 11 1HD1 ILE 11 -0.138 -25.530 0.084 81 2HD1 ILE 11 2HD1 ILE 11 -1.140 -24.660 -1.077 82 3HD1 ILE 11 3HD1 ILE 11 -1.105 -24.153 0.612 83 H THR 12 H THR 12 -2.012 -21.662 -3.193 84 HA THR 12 HA THR 12 -0.946 -19.457 -4.580 85 HB THR 12 HB THR 12 -3.284 -19.732 -5.824 86 HG1 THR 12 1HG THR 12 -4.406 -21.139 -4.714 87 1HG2 THR 12 1HG2 THR 12 -2.251 -21.027 -7.350 88 2HG2 THR 12 2HG2 THR 12 -1.614 -22.142 -6.141 89 3HG2 THR 12 3HG2 THR 12 -0.830 -20.584 -6.405 90 H GLU 13 H GLU 13 -3.938 -19.833 -2.701 91 HA GLU 13 HA GLU 13 -4.778 -17.135 -3.097 92 1HB GLU 13 2HB GLU 13 -6.287 -19.077 -2.538 93 2HB GLU 13 1HB GLU 13 -5.651 -19.014 -0.900 94 1HG GLU 13 2HG GLU 13 -6.390 -16.515 -1.019 95 2HG GLU 13 1HG GLU 13 -7.433 -17.095 -2.317 96 H GLY 14 H GLY 14 -2.823 -18.793 -0.722 97 1HA GLY 14 2HA GLY 14 -2.880 -16.816 1.299 98 2HA GLY 14 1HA GLY 14 -1.629 -18.033 1.089 99 H GLU 15 H GLU 15 -0.247 -17.529 -0.998 100 HA GLU 15 HA GLU 15 1.201 -15.184 -0.445 101 1HB GLU 15 2HB GLU 15 1.237 -16.720 -3.046 102 2HB GLU 15 1HB GLU 15 2.519 -15.715 -2.385 103 1HG GLU 15 2HG GLU 15 1.685 -17.898 -0.629 104 2HG GLU 15 1HG GLU 15 2.370 -18.421 -2.166 105 H ALA 16 H ALA 16 -1.203 -15.958 -2.914 106 HA ALA 16 HA ALA 16 -1.054 -13.583 -4.392 107 1HB ALA 16 1HB ALA 16 -3.351 -14.147 -5.134 108 2HB ALA 16 2HB ALA 16 -3.396 -15.424 -3.918 109 3HB ALA 16 3HB ALA 16 -2.234 -15.508 -5.242 110 H LYS 17 H LYS 17 -2.980 -14.457 -1.558 111 HA LYS 17 HA LYS 17 -4.509 -12.110 -1.393 112 1HB LYS 17 2HB LYS 17 -5.054 -14.142 -0.140 113 2HB LYS 17 1HB LYS 17 -3.591 -13.958 0.817 114 1HG LYS 17 2HG LYS 17 -5.007 -13.003 2.279 115 2HG LYS 17 1HG LYS 17 -4.738 -11.575 1.278 116 1HD LYS 17 2HD LYS 17 -6.739 -12.254 -0.071 117 2HD LYS 17 1HD LYS 17 -7.046 -13.509 1.132 118 1HE LYS 17 2HE LYS 17 -7.041 -11.657 2.861 119 2HE LYS 17 1HE LYS 17 -7.075 -10.523 1.511 120 1HZ LYS 17 1HZ LYS 17 -9.084 -12.111 0.839 121 2HZ LYS 17 2HZ LYS 17 -9.285 -10.739 1.808 122 3HZ LYS 17 3HZ LYS 17 -9.170 -12.269 2.521 123 H GLU 18 H GLU 18 -1.375 -12.966 0.018 124 HA GLU 18 HA GLU 18 -1.044 -10.603 1.524 125 1HB GLU 18 2HB GLU 18 0.298 -12.931 1.401 126 2HB GLU 18 1HB GLU 18 1.372 -11.934 0.430 127 1HG GLU 18 2HG GLU 18 1.452 -10.305 2.307 128 2HG GLU 18 1HG GLU 18 0.519 -11.447 3.273 129 H PHE 19 H PHE 19 0.493 -11.541 -1.553 130 HA PHE 19 HA PHE 19 1.658 -9.065 -2.097 131 1HB PHE 19 2HB PHE 19 1.858 -11.473 -3.235 132 2HB PHE 19 1HB PHE 19 0.748 -10.733 -4.384 133 HD1 PHE 19 1HD PHE 19 1.437 -8.551 -5.475 134 HD2 PHE 19 2HD PHE 19 4.145 -11.030 -3.324 135 HE1 PHE 19 1HE PHE 19 3.329 -7.449 -6.596 136 HE2 PHE 19 2HE PHE 19 6.043 -9.932 -4.440 137 HZ PHE 19 HZ PHE 19 5.637 -8.140 -6.079 138 H HIS 20 H HIS 20 -1.589 -10.227 -2.621 139 HA HIS 20 HA HIS 20 -2.351 -8.189 -4.471 140 1HB HIS 20 2HB HIS 20 -3.556 -10.317 -4.359 141 2HB HIS 20 1HB HIS 20 -4.053 -9.964 -2.708 142 HD1 HIS 20 1HD HIS 20 -6.420 -9.286 -2.656 143 HD2 HIS 20 2HD HIS 20 -4.512 -7.923 -6.086 144 HE1 HIS 20 1HE HIS 20 -8.167 -8.005 -3.933 145 HE2 HIS 20 2HE HIS 20 -6.967 -7.120 -5.963 146 H LYS 21 H LYS 21 -3.221 -8.719 -1.048 147 HA LYS 21 HA LYS 21 -4.493 -6.258 -0.671 148 1HB LYS 21 2HB LYS 21 -4.726 -8.149 0.876 149 2HB LYS 21 1HB LYS 21 -3.049 -7.961 1.366 150 1HG LYS 21 2HG LYS 21 -3.489 -5.898 2.428 151 2HG LYS 21 1HG LYS 21 -5.089 -5.781 1.692 152 1HD LYS 21 2HD LYS 21 -4.615 -8.200 3.302 153 2HD LYS 21 1HD LYS 21 -4.629 -6.683 4.203 154 1HE LYS 21 2HE LYS 21 -6.852 -7.854 3.989 155 2HE LYS 21 1HE LYS 21 -6.821 -6.166 3.483 156 1HZ LYS 21 1HZ LYS 21 -6.564 -8.455 1.612 157 2HZ LYS 21 2HZ LYS 21 -6.758 -6.824 1.209 158 3HZ LYS 21 3HZ LYS 21 -8.024 -7.669 1.945 159 H ILE 22 H ILE 22 -1.133 -7.213 -0.012 160 HA ILE 22 HA ILE 22 -0.285 -4.773 1.060 161 HB ILE 22 HB ILE 22 1.963 -5.538 0.680 162 1HG1 ILE 22 2HG1 ILE 22 2.090 -7.887 -0.537 163 2HG1 ILE 22 1HG1 ILE 22 0.667 -7.272 -1.367 164 1HG2 ILE 22 1HG2 ILE 22 1.302 -6.686 2.504 165 2HG2 ILE 22 2HG2 ILE 22 1.530 -8.064 1.427 166 3HG2 ILE 22 3HG2 ILE 22 -0.085 -7.401 1.682 167 1HD1 ILE 22 1HD1 ILE 22 3.402 -6.721 -1.871 168 2HD1 ILE 22 2HD1 ILE 22 2.609 -5.222 -1.385 169 3HD1 ILE 22 3HD1 ILE 22 1.979 -6.152 -2.744 170 H PHE 23 H PHE 23 -0.288 -5.974 -2.271 171 HA PHE 23 HA PHE 23 1.079 -3.809 -3.434 172 1HB PHE 23 2HB PHE 23 0.753 -5.924 -4.618 173 2HB PHE 23 1HB PHE 23 -0.987 -5.658 -4.650 174 HD1 PHE 23 1HD PHE 23 2.125 -5.091 -6.307 175 HD2 PHE 23 2HD PHE 23 -1.863 -3.652 -5.932 176 HE1 PHE 23 1HE PHE 23 2.353 -3.909 -8.453 177 HE2 PHE 23 2HE PHE 23 -1.642 -2.469 -8.078 178 HZ PHE 23 HZ PHE 23 0.468 -2.596 -9.342 179 H THR 24 H THR 24 -2.416 -4.505 -3.586 180 HA THR 24 HA THR 24 -3.232 -2.069 -4.594 181 HB THR 24 HB THR 24 -4.454 -4.404 -3.756 182 HG1 THR 24 1HG THR 24 -5.072 -3.140 -5.514 183 1HG2 THR 24 1HG2 THR 24 -4.833 -3.571 -1.505 184 2HG2 THR 24 2HG2 THR 24 -6.350 -3.741 -2.389 185 3HG2 THR 24 3HG2 THR 24 -5.636 -2.144 -2.160 186 H SER 25 H SER 25 -2.652 -3.020 -1.250 187 HA SER 25 HA SER 25 -3.690 -0.798 0.060 188 1HB SER 25 2HB SER 25 -1.538 -2.776 0.703 189 2HB SER 25 1HB SER 25 -1.744 -1.366 1.743 190 HG SER 25 HG SER 25 -3.087 -2.834 2.604 191 H SER 26 H SER 26 -0.198 -1.306 -0.361 192 HA SER 26 HA SER 26 0.646 1.244 0.161 193 1HB SER 26 2HB SER 26 2.291 -0.451 0.004 194 2HB SER 26 1HB SER 26 1.812 -0.874 -1.639 195 HG SER 26 HG SER 26 2.764 0.947 -2.395 196 H ILE 27 H ILE 27 -0.433 -0.046 -2.963 197 HA ILE 27 HA ILE 27 0.258 2.225 -4.491 198 HB ILE 27 HB ILE 27 -1.551 -0.112 -4.900 199 1HG1 ILE 27 2HG1 ILE 27 -0.165 -0.430 -6.877 200 2HG1 ILE 27 1HG1 ILE 27 0.599 1.135 -6.625 201 1HG2 ILE 27 1HG2 ILE 27 -1.664 2.398 -6.561 202 2HG2 ILE 27 2HG2 ILE 27 -2.993 1.596 -5.724 203 3HG2 ILE 27 3HG2 ILE 27 -2.238 0.828 -7.121 204 1HD1 ILE 27 1HD1 ILE 27 0.898 -1.366 -5.003 205 2HD1 ILE 27 2HD1 ILE 27 1.405 0.214 -4.406 206 3HD1 ILE 27 3HD1 ILE 27 2.137 -0.454 -5.864 207 H LEU 28 H LEU 28 -2.710 1.287 -2.822 208 HA LEU 28 HA LEU 28 -4.319 3.450 -3.607 209 1HB LEU 28 2HB LEU 28 -4.347 1.361 -1.522 210 2HB LEU 28 1HB LEU 28 -5.292 2.794 -1.165 211 HG LEU 28 HG LEU 28 -6.614 2.487 -3.135 212 1HD1 LEU 28 1HD1 LEU 28 -5.392 -0.116 -3.828 213 2HD1 LEU 28 2HD1 LEU 28 -4.514 1.336 -4.303 214 3HD1 LEU 28 3HD1 LEU 28 -6.165 1.083 -4.863 215 1HD2 LEU 28 1HD2 LEU 28 -7.329 1.286 -1.165 216 2HD2 LEU 28 2HD2 LEU 28 -6.288 -0.073 -1.586 217 3HD2 LEU 28 3HD2 LEU 28 -7.672 0.326 -2.604 218 H VAL 29 H VAL 29 -2.764 2.893 -0.504 219 HA VAL 29 HA VAL 29 -3.215 5.391 0.614 220 HB VAL 29 HB VAL 29 -1.109 4.759 2.028 221 1HG1 VAL 29 1HG1 VAL 29 -3.617 4.565 2.554 222 2HG1 VAL 29 2HG1 VAL 29 -2.483 3.612 3.511 223 3HG1 VAL 29 3HG1 VAL 29 -3.404 2.847 2.215 224 1HG2 VAL 29 1HG2 VAL 29 -1.578 1.957 1.462 225 2HG2 VAL 29 2HG2 VAL 29 -0.060 2.836 1.643 226 3HG2 VAL 29 3HG2 VAL 29 -0.883 2.809 0.085 227 H PHE 30 H PHE 30 -0.291 4.210 -1.079 228 HA PHE 30 HA PHE 30 1.231 6.546 -0.753 229 1HB PHE 30 2HB PHE 30 2.055 4.292 -1.565 230 2HB PHE 30 1HB PHE 30 1.371 4.695 -3.137 231 HD1 PHE 30 1HD PHE 30 4.019 5.427 -0.727 232 HD2 PHE 30 2HD PHE 30 2.383 6.382 -4.538 233 HE1 PHE 30 1HE PHE 30 6.094 6.611 -1.317 234 HE2 PHE 30 2HE PHE 30 4.454 7.567 -5.134 235 HZ PHE 30 HZ PHE 30 6.314 7.683 -3.524 236 H PHE 31 H PHE 31 -1.239 5.673 -3.025 237 HA PHE 31 HA PHE 31 -0.869 8.099 -4.597 238 1HB PHE 31 2HB PHE 31 -2.637 5.675 -4.931 239 2HB PHE 31 1HB PHE 31 -2.839 7.122 -5.912 240 HD1 PHE 31 1HD PHE 31 -2.017 6.848 -8.025 241 HD2 PHE 31 2HD PHE 31 0.103 5.124 -4.763 242 HE1 PHE 31 1HE PHE 31 -0.289 6.043 -9.580 243 HE2 PHE 31 2HE PHE 31 1.836 4.317 -6.311 244 HZ PHE 31 HZ PHE 31 1.641 4.776 -8.723 245 H GLY 32 H GLY 32 -2.584 6.959 -1.929 246 1HA GLY 32 2HA GLY 32 -4.931 8.591 -2.190 247 2HA GLY 32 1HA GLY 32 -4.397 7.733 -0.740 248 H VAL 33 H VAL 33 -1.848 8.645 -0.602 249 HA VAL 33 HA VAL 33 -2.150 11.196 0.647 250 HB VAL 33 HB VAL 33 0.440 10.933 0.752 251 1HG1 VAL 33 1HG1 VAL 33 0.060 9.172 2.636 252 2HG1 VAL 33 2HG1 VAL 33 -1.641 9.444 2.256 253 3HG1 VAL 33 3HG1 VAL 33 -0.627 10.791 2.774 254 1HG2 VAL 33 1HG2 VAL 33 -0.161 8.685 -0.780 255 2HG2 VAL 33 2HG2 VAL 33 0.290 8.091 0.814 256 3HG2 VAL 33 3HG2 VAL 33 1.390 9.136 -0.083 257 H ALA 34 H ALA 34 -0.035 10.011 -1.976 258 HA ALA 34 HA ALA 34 0.986 12.375 -2.878 259 1HB ALA 34 1HB ALA 34 1.259 11.350 -5.040 260 2HB ALA 34 2HB ALA 34 -0.014 10.180 -4.694 261 3HB ALA 34 3HB ALA 34 1.507 10.118 -3.803 262 H ALA 35 H ALA 35 -2.135 10.932 -3.718 263 HA ALA 35 HA ALA 35 -3.025 12.983 -5.436 264 1HB ALA 35 1HB ALA 35 -5.271 12.001 -5.057 265 2HB ALA 35 2HB ALA 35 -4.572 10.970 -3.809 266 3HB ALA 35 3HB ALA 35 -4.048 10.804 -5.484 267 H PHE 36 H PHE 36 -4.449 12.239 -2.255 268 HA PHE 36 HA PHE 36 -5.533 14.835 -1.942 269 1HB PHE 36 2HB PHE 36 -5.456 12.345 -0.401 270 2HB PHE 36 1HB PHE 36 -5.488 13.790 0.604 271 HD1 PHE 36 1HD PHE 36 -7.160 15.615 -0.912 272 HD2 PHE 36 2HD PHE 36 -7.564 11.421 -0.309 273 HE1 PHE 36 1HE PHE 36 -9.588 15.802 -1.259 274 HE2 PHE 36 2HE PHE 36 -9.994 11.602 -0.655 275 HZ PHE 36 HZ PHE 36 -11.008 13.794 -1.132 276 H ALA 37 H ALA 37 -2.819 13.231 -0.249 277 HA ALA 37 HA ALA 37 -2.040 15.280 1.406 278 1HB ALA 37 1HB ALA 37 -1.084 12.856 0.998 279 2HB ALA 37 2HB ALA 37 -0.105 14.113 1.754 280 3HB ALA 37 3HB ALA 37 0.108 13.738 0.044 281 H HIS 38 H HIS 38 -0.997 14.811 -2.000 282 HA HIS 38 HA HIS 38 0.657 17.128 -1.986 283 1HB HIS 38 2HB HIS 38 0.806 15.182 -3.616 284 2HB HIS 38 1HB HIS 38 -0.582 15.885 -4.441 285 HD1 HIS 38 1HD HIS 38 0.178 17.094 -6.446 286 HD2 HIS 38 2HD HIS 38 2.856 17.513 -3.297 287 HE1 HIS 38 1HE HIS 38 2.004 18.593 -7.310 288 HE2 HIS 38 2HE HIS 38 3.566 18.903 -5.359 289 H LEU 39 H LEU 39 -2.660 16.518 -3.102 290 HA LEU 39 HA LEU 39 -3.083 19.150 -4.081 291 1HB LEU 39 2HB LEU 39 -4.442 16.802 -4.264 292 2HB LEU 39 1HB LEU 39 -5.434 17.667 -3.105 293 HG LEU 39 HG LEU 39 -6.279 17.981 -5.361 294 1HD1 LEU 39 1HD1 LEU 39 -5.001 20.566 -4.524 295 2HD1 LEU 39 2HD1 LEU 39 -6.322 19.829 -3.618 296 3HD1 LEU 39 3HD1 LEU 39 -6.566 20.311 -5.296 297 1HD2 LEU 39 1HD2 LEU 39 -3.734 17.857 -6.204 298 2HD2 LEU 39 2HD2 LEU 39 -3.969 19.604 -6.219 299 3HD2 LEU 39 3HD2 LEU 39 -5.039 18.564 -7.157 300 H LEU 40 H LEU 40 -2.956 17.845 -0.935 301 HA LEU 40 HA LEU 40 -4.627 19.903 0.243 302 1HB LEU 40 2HB LEU 40 -3.305 17.430 1.180 303 2HB LEU 40 1HB LEU 40 -3.466 18.711 2.366 304 HG LEU 40 HG LEU 40 -5.884 18.738 2.056 305 1HD1 LEU 40 1HD1 LEU 40 -5.767 16.296 0.359 306 2HD1 LEU 40 2HD1 LEU 40 -5.567 17.874 -0.400 307 3HD1 LEU 40 3HD1 LEU 40 -7.036 17.512 0.504 308 1HD2 LEU 40 1HD2 LEU 40 -4.442 16.268 2.825 309 2HD2 LEU 40 2HD2 LEU 40 -6.194 16.161 2.649 310 3HD2 LEU 40 3HD2 LEU 40 -5.489 17.317 3.780 311 H VAL 41 H VAL 41 -1.247 19.256 -0.329 312 HA VAL 41 HA VAL 41 -0.208 21.078 1.577 313 HB VAL 41 HB VAL 41 1.145 19.285 0.492 314 1HG1 VAL 41 1HG1 VAL 41 0.365 20.690 -1.890 315 2HG1 VAL 41 2HG1 VAL 41 1.171 19.132 -1.723 316 3HG1 VAL 41 3HG1 VAL 41 2.122 20.616 -1.771 317 1HG2 VAL 41 1HG2 VAL 41 2.441 20.791 1.667 318 2HG2 VAL 41 2HG2 VAL 41 2.043 22.133 0.594 319 3HG2 VAL 41 3HG2 VAL 41 3.155 20.874 0.056 320 H TRP 42 H TRP 42 -1.588 21.476 -1.568 321 HA TRP 42 HA TRP 42 -0.467 23.973 -2.239 322 1HB TRP 42 2HB TRP 42 -1.834 22.404 -3.732 323 2HB TRP 42 1HB TRP 42 -3.261 23.096 -2.968 324 HD1 TRP 42 HD TRP 42 -0.308 25.369 -3.765 325 HE1 TRP 42 1HE TRP 42 -0.989 26.989 -5.646 326 HE3 TRP 42 3HE TRP 42 -4.818 23.310 -5.017 327 HZ2 TRP 42 2HZ TRP 42 -3.153 27.348 -7.424 328 HZ3 TRP 42 3HZ TRP 42 -6.130 24.353 -6.818 329 HH2 TRP 42 HH TRP 42 -5.314 26.330 -7.995 330 H ILE 43 H ILE 43 -3.024 23.002 -0.094 331 HA ILE 43 HA ILE 43 -3.312 25.791 0.777 332 HB ILE 43 HB ILE 43 -5.743 25.412 1.141 333 1HG1 ILE 43 2HG1 ILE 43 -6.510 23.476 -0.589 334 2HG1 ILE 43 1HG1 ILE 43 -5.007 22.778 0.007 335 1HG2 ILE 43 1HG2 ILE 43 -4.858 26.616 -0.829 336 2HG2 ILE 43 2HG2 ILE 43 -6.395 25.811 -1.145 337 3HG2 ILE 43 3HG2 ILE 43 -4.891 25.102 -1.734 338 1HD1 ILE 43 1HD1 ILE 43 -6.936 23.839 1.993 339 2HD1 ILE 43 2HD1 ILE 43 -5.823 22.477 2.108 340 3HD1 ILE 43 3HD1 ILE 43 -7.315 22.321 1.182 341 H TRP 44 H TRP 44 -1.774 23.589 1.872 342 HA TRP 44 HA TRP 44 -2.548 23.813 4.592 343 1HB TRP 44 2HB TRP 44 -3.993 21.880 3.349 344 2HB TRP 44 1HB TRP 44 -2.598 20.945 3.879 345 HD1 TRP 44 HD TRP 44 -4.121 23.822 5.933 346 HE1 TRP 44 1HE TRP 44 -5.010 22.854 8.146 347 HE3 TRP 44 3HE TRP 44 -3.381 18.851 4.999 348 HZ2 TRP 44 2HZ TRP 44 -5.351 20.318 9.338 349 HZ3 TRP 44 3HZ TRP 44 -4.016 17.218 6.728 350 HH2 TRP 44 HH TRP 44 -4.980 17.939 8.853 351 H ARG 45 H ARG 45 -1.281 21.572 5.663 352 HA ARG 45 HA ARG 45 1.425 21.668 4.521 353 1HB ARG 45 2HB ARG 45 0.772 21.983 7.455 354 2HB ARG 45 1HB ARG 45 2.386 21.916 6.761 355 1HG ARG 45 2HG ARG 45 2.350 24.070 6.180 356 2HG ARG 45 1HG ARG 45 0.700 23.972 5.565 357 1HD ARG 45 2HD ARG 45 0.095 25.170 7.343 358 2HD ARG 45 1HD ARG 45 0.399 23.724 8.304 359 HE ARG 45 HE ARG 45 2.286 24.716 9.142 360 1HH1 ARG 45 1HH1 ARG 45 1.205 26.511 6.351 361 2HH1 ARG 45 2HH1 ARG 45 2.319 27.813 6.602 362 1HH2 ARG 45 1HH2 ARG 45 3.751 26.427 9.473 363 2HH2 ARG 45 2HH2 ARG 45 3.765 27.766 8.374 364 HA PRO 46 HA PRO 46 0.276 17.343 5.807 365 1HB PRO 46 2HB PRO 46 -0.463 16.253 3.504 366 2HB PRO 46 1HB PRO 46 -1.572 17.319 4.376 367 1HG PRO 46 2HG PRO 46 0.121 17.892 1.983 368 2HG PRO 46 1HG PRO 46 -1.532 18.423 2.340 369 1HD PRO 46 2HD PRO 46 0.802 19.918 2.747 370 2HD PRO 46 1HD PRO 46 -0.791 20.266 3.445 371 H TRP 47 H TRP 47 0.992 15.244 4.242 372 HA TRP 47 HA TRP 47 2.846 13.981 3.824 373 1HB TRP 47 2HB TRP 47 2.403 14.836 1.614 374 2HB TRP 47 1HB TRP 47 3.270 16.326 1.963 375 HD1 TRP 47 HD TRP 47 4.580 12.766 2.699 376 HE1 TRP 47 1HE TRP 47 6.753 12.420 1.364 377 HE3 TRP 47 3HE TRP 47 4.613 17.142 0.054 378 HZ2 TRP 47 2HZ TRP 47 8.281 13.818 -0.554 379 HZ3 TRP 47 3HZ TRP 47 6.467 17.561 -1.509 380 HH2 TRP 47 HH TRP 47 8.263 15.932 -1.806 381 H VAL 48 H VAL 48 4.672 16.914 3.147 382 HA VAL 48 HA VAL 48 6.823 16.119 4.796 383 HB VAL 48 HB VAL 48 7.737 18.382 4.364 384 1HG1 VAL 48 1HG1 VAL 48 8.401 17.802 2.285 385 2HG1 VAL 48 2HG1 VAL 48 6.752 17.574 1.704 386 3HG1 VAL 48 3HG1 VAL 48 7.535 16.312 2.656 387 1HG2 VAL 48 1HG2 VAL 48 6.143 19.969 4.191 388 2HG2 VAL 48 2HG2 VAL 48 4.952 18.853 3.525 389 3HG2 VAL 48 3HG2 VAL 48 6.194 19.543 2.481 390 HA PRO 49 HA PRO 49 4.909 17.639 8.599 391 1HB PRO 49 2HB PRO 49 6.775 16.632 10.283 392 2HB PRO 49 1HB PRO 49 5.503 15.637 9.564 393 1HG PRO 49 2HG PRO 49 8.363 15.947 8.733 394 2HG PRO 49 1HG PRO 49 7.388 14.471 8.857 395 1HD PRO 49 2HD PRO 49 7.859 15.720 6.497 396 2HD PRO 49 1HD PRO 49 6.359 14.830 6.827 397 H GLY 50 H GLY 50 5.454 19.835 7.859 398 1HA GLY 50 2HA GLY 50 6.783 21.378 9.638 399 2HA GLY 50 1HA GLY 50 8.060 20.892 8.531 400 HA PRO 51 HA PRO 51 5.390 24.522 6.880 401 1HB PRO 51 2HB PRO 51 6.876 26.649 7.663 402 2HB PRO 51 1HB PRO 51 5.561 25.991 8.643 403 1HG PRO 51 2HG PRO 51 8.511 25.546 8.888 404 2HG PRO 51 1HG PRO 51 7.316 25.847 10.163 405 1HD PRO 51 2HD PRO 51 8.245 23.367 9.587 406 2HD PRO 51 1HD PRO 51 6.598 23.658 10.180 407 H ASN 52 H ASN 52 5.933 25.709 5.018 408 HA ASN 52 HA ASN 52 8.701 25.476 4.070 409 1HB ASN 52 2HB ASN 52 6.254 24.333 2.834 410 2HB ASN 52 1HB ASN 52 7.415 25.086 1.745 411 1HD2 ASN 52 1HD2 ASN 52 8.657 23.622 0.851 412 2HD2 ASN 52 2HD2 ASN 52 9.333 22.238 1.634 413 H GLY 53 H GLY 53 8.666 27.753 4.742 414 1HA GLY 53 2HA GLY 53 7.238 29.481 2.823 415 2HA GLY 53 1HA GLY 53 7.753 29.982 4.426 416 H TYR 54 H TYR 54 8.652 31.802 3.140 417 HA TYR 54 HA TYR 54 10.432 32.944 2.306 418 1HB TYR 54 2HB TYR 54 12.090 30.529 3.047 419 2HB TYR 54 1HB TYR 54 12.636 32.195 2.882 420 HD1 TYR 54 1HD TYR 54 10.569 33.653 4.390 421 HD2 TYR 54 2HD TYR 54 12.520 29.975 5.268 422 HE1 TYR 54 1HE TYR 54 10.174 34.023 6.790 423 HE2 TYR 54 2HE TYR 54 12.131 30.334 7.669 424 HH TYR 54 HH TYR 54 11.706 32.190 9.208 425 H SER 55 H SER 55 9.488 32.701 0.188 426 HA SER 55 HA SER 55 9.574 32.250 -2.038 427 1HB SER 55 2HB SER 55 11.688 32.115 -3.031 428 2HB SER 55 1HB SER 55 12.032 32.901 -1.490 429 HG SER 55 HG SER 55 12.792 30.430 -2.418 Start of MODEL 4 1 1H ALA 1 1H ALA 1 -6.179 -41.568 -9.550 2 HA ALA 1 HA ALA 1 -8.165 -40.920 -7.628 3 1HB ALA 1 1HB ALA 1 -7.019 -42.141 -5.970 4 2HB ALA 1 2HB ALA 1 -6.620 -40.448 -5.676 5 3HB ALA 1 3HB ALA 1 -5.453 -41.505 -6.471 6 H GLU 2 H GLU 2 -8.549 -38.951 -8.398 7 HA GLU 2 HA GLU 2 -6.550 -37.303 -9.572 8 1HB GLU 2 2HB GLU 2 -9.154 -37.388 -9.939 9 2HB GLU 2 1HB GLU 2 -9.171 -36.199 -8.644 10 1HG GLU 2 2HG GLU 2 -7.599 -34.814 -9.977 11 2HG GLU 2 1HG GLU 2 -7.770 -35.971 -11.295 12 H VAL 3 H VAL 3 -5.069 -37.366 -7.694 13 HA VAL 3 HA VAL 3 -5.767 -35.298 -5.710 14 HB VAL 3 HB VAL 3 -3.733 -37.490 -5.307 15 1HG1 VAL 3 1HG1 VAL 3 -4.420 -36.763 -2.851 16 2HG1 VAL 3 2HG1 VAL 3 -4.792 -35.248 -3.676 17 3HG1 VAL 3 3HG1 VAL 3 -3.164 -35.921 -3.758 18 1HG2 VAL 3 1HG2 VAL 3 -5.809 -38.621 -5.499 19 2HG2 VAL 3 2HG2 VAL 3 -6.643 -37.396 -4.542 20 3HG2 VAL 3 3HG2 VAL 3 -5.476 -38.473 -3.773 21 H LYS 4 H LYS 4 -4.978 -33.644 -7.096 22 HA LYS 4 HA LYS 4 -2.373 -33.635 -8.192 23 1HB LYS 4 2HB LYS 4 -4.416 -31.509 -7.634 24 2HB LYS 4 1HB LYS 4 -2.803 -31.066 -8.177 25 1HG LYS 4 2HG LYS 4 -3.455 -32.976 -9.988 26 2HG LYS 4 1HG LYS 4 -5.035 -32.263 -9.655 27 1HD LYS 4 2HD LYS 4 -4.325 -30.880 -11.335 28 2HD LYS 4 1HD LYS 4 -3.688 -30.009 -9.939 29 1HE LYS 4 2HE LYS 4 -2.060 -30.252 -11.802 30 2HE LYS 4 1HE LYS 4 -1.506 -30.941 -10.276 31 1HZ LYS 4 1HZ LYS 4 -2.914 -32.767 -12.037 32 2HZ LYS 4 2HZ LYS 4 -1.520 -33.013 -11.112 33 3HZ LYS 4 3HZ LYS 4 -1.415 -32.229 -12.607 34 H GLN 5 H GLN 5 -3.673 -31.834 -5.401 35 HA GLN 5 HA GLN 5 -1.469 -32.392 -3.728 36 1HB GLN 5 2HB GLN 5 -1.328 -29.938 -5.397 37 2HB GLN 5 1HB GLN 5 -0.870 -29.778 -3.707 38 1HG GLN 5 2HG GLN 5 0.502 -32.008 -4.412 39 2HG GLN 5 1HG GLN 5 0.515 -31.100 -5.924 40 1HE2 GLN 5 1HE2 GLN 5 0.721 -30.189 -2.500 41 2HE2 GLN 5 2HE2 GLN 5 2.181 -29.278 -2.652 42 H GLU 6 H GLU 6 -2.732 -32.618 -1.971 43 HA GLU 6 HA GLU 6 -5.084 -31.339 -1.355 44 1HB GLU 6 2HB GLU 6 -3.561 -33.202 -0.108 45 2HB GLU 6 1HB GLU 6 -3.295 -31.824 0.952 46 1HG GLU 6 2HG GLU 6 -6.095 -32.257 0.232 47 2HG GLU 6 1HG GLU 6 -5.363 -33.581 1.137 48 H SER 7 H SER 7 -1.796 -30.352 -0.478 49 HA SER 7 HA SER 7 -2.565 -27.984 0.885 50 1HB SER 7 2HB SER 7 -0.354 -29.198 1.120 51 2HB SER 7 1HB SER 7 0.101 -28.521 -0.444 52 HG SER 7 HG SER 7 -0.770 -26.904 1.706 53 H LEU 8 H LEU 8 -0.688 -26.177 -0.460 54 HA LEU 8 HA LEU 8 -0.416 -24.852 -2.303 55 1HB LEU 8 2HB LEU 8 -2.931 -26.043 -3.414 56 2HB LEU 8 1HB LEU 8 -1.771 -25.033 -4.248 57 HG LEU 8 HG LEU 8 -1.390 -27.884 -3.352 58 1HD1 LEU 8 1HD1 LEU 8 -1.941 -26.521 -5.903 59 2HD1 LEU 8 2HD1 LEU 8 -2.344 -28.154 -5.373 60 3HD1 LEU 8 3HD1 LEU 8 -0.718 -27.792 -5.953 61 1HD2 LEU 8 1HD2 LEU 8 0.871 -27.716 -4.285 62 2HD2 LEU 8 2HD2 LEU 8 0.653 -26.646 -2.900 63 3HD2 LEU 8 3HD2 LEU 8 0.634 -25.986 -4.535 64 H SER 9 H SER 9 -3.264 -25.249 -0.435 65 HA SER 9 HA SER 9 -4.745 -22.999 -1.161 66 1HB SER 9 2HB SER 9 -5.391 -23.062 1.386 67 2HB SER 9 1HB SER 9 -5.867 -24.393 0.331 68 HG SER 9 HG SER 9 -4.165 -24.382 2.458 69 H GLY 10 H GLY 10 -1.875 -23.345 0.798 70 1HA GLY 10 2HA GLY 10 -1.910 -20.668 1.828 71 2HA GLY 10 1HA GLY 10 -0.562 -21.795 1.895 72 H ILE 11 H ILE 11 -0.872 -22.160 -1.116 73 HA ILE 11 HA ILE 11 0.999 -20.103 -1.846 74 HB ILE 11 HB ILE 11 -0.343 -22.096 -3.673 75 1HG1 ILE 11 2HG1 ILE 11 2.288 -22.404 -2.214 76 2HG1 ILE 11 1HG1 ILE 11 0.786 -23.173 -1.713 77 1HG2 ILE 11 1HG2 ILE 11 1.890 -20.170 -3.935 78 2HG2 ILE 11 2HG2 ILE 11 0.708 -20.709 -5.129 79 3HG2 ILE 11 3HG2 ILE 11 2.080 -21.738 -4.720 80 1HD1 ILE 11 1HD1 ILE 11 2.600 -23.822 -3.943 81 2HD1 ILE 11 2HD1 ILE 11 0.873 -24.022 -4.238 82 3HD1 ILE 11 3HD1 ILE 11 1.644 -24.881 -2.906 83 H THR 12 H THR 12 -2.264 -21.023 -2.933 84 HA THR 12 HA THR 12 -2.621 -18.832 -4.670 85 HB THR 12 HB THR 12 -4.713 -20.467 -3.220 86 HG1 THR 12 1HG THR 12 -3.666 -20.803 -5.830 87 1HG2 THR 12 1HG2 THR 12 -4.916 -18.369 -5.259 88 2HG2 THR 12 2HG2 THR 12 -6.111 -18.960 -4.105 89 3HG2 THR 12 3HG2 THR 12 -5.814 -19.848 -5.599 90 H GLU 13 H GLU 13 -3.746 -19.386 -1.339 91 HA GLU 13 HA GLU 13 -4.857 -16.775 -1.063 92 1HB GLU 13 2HB GLU 13 -4.047 -18.691 1.129 93 2HB GLU 13 1HB GLU 13 -5.176 -17.351 1.266 94 1HG GLU 13 2HG GLU 13 -6.780 -18.447 -0.090 95 2HG GLU 13 1HG GLU 13 -5.622 -19.688 -0.567 96 H GLY 14 H GLY 14 -1.707 -18.153 -0.602 97 1HA GLY 14 2HA GLY 14 -0.666 -16.134 1.121 98 2HA GLY 14 1HA GLY 14 0.275 -17.277 0.174 99 H GLU 15 H GLU 15 -0.033 -16.753 -2.336 100 HA GLU 15 HA GLU 15 1.307 -14.314 -2.769 101 1HB GLU 15 2HB GLU 15 1.079 -14.800 -5.142 102 2HB GLU 15 1HB GLU 15 1.513 -16.263 -4.268 103 1HG GLU 15 2HG GLU 15 -0.109 -17.060 -5.658 104 2HG GLU 15 1HG GLU 15 -1.070 -16.654 -4.236 105 H ALA 16 H ALA 16 -2.061 -15.286 -3.194 106 HA ALA 16 HA ALA 16 -3.015 -12.957 -4.420 107 1HB ALA 16 1HB ALA 16 -4.396 -14.935 -2.612 108 2HB ALA 16 2HB ALA 16 -4.379 -14.921 -4.375 109 3HB ALA 16 3HB ALA 16 -5.232 -13.655 -3.492 110 H LYS 17 H LYS 17 -2.487 -13.772 -1.042 111 HA LYS 17 HA LYS 17 -3.759 -11.483 0.055 112 1HB LYS 17 2HB LYS 17 -3.334 -13.523 1.359 113 2HB LYS 17 1HB LYS 17 -1.602 -13.248 1.228 114 1HG LYS 17 2HG LYS 17 -2.306 -10.914 2.309 115 2HG LYS 17 1HG LYS 17 -3.612 -11.920 2.940 116 1HD LYS 17 2HD LYS 17 -2.241 -13.040 4.329 117 2HD LYS 17 1HD LYS 17 -0.940 -13.117 3.141 118 1HE LYS 17 2HE LYS 17 -1.504 -10.444 4.240 119 2HE LYS 17 1HE LYS 17 -0.862 -11.616 5.390 120 1HZ LYS 17 1HZ LYS 17 0.423 -11.216 2.763 121 2HZ LYS 17 2HZ LYS 17 1.087 -11.851 4.183 122 3HZ LYS 17 3HZ LYS 17 0.776 -10.193 4.064 123 H GLU 18 H GLU 18 -0.339 -12.272 -0.548 124 HA GLU 18 HA GLU 18 0.749 -9.861 0.353 125 1HB GLU 18 2HB GLU 18 1.958 -12.026 -0.267 126 2HB GLU 18 1HB GLU 18 1.879 -11.468 -1.933 127 1HG GLU 18 2HG GLU 18 2.906 -9.291 -0.637 128 2HG GLU 18 1HG GLU 18 3.626 -10.636 0.246 129 H PHE 19 H PHE 19 0.104 -10.831 -3.016 130 HA PHE 19 HA PHE 19 0.666 -8.384 -4.205 131 1HB PHE 19 2HB PHE 19 -1.114 -10.667 -5.022 132 2HB PHE 19 1HB PHE 19 -0.925 -9.238 -6.033 133 HD1 PHE 19 1HD PHE 19 1.808 -8.566 -6.015 134 HD2 PHE 19 2HD PHE 19 0.059 -12.442 -5.863 135 HE1 PHE 19 1HE PHE 19 3.855 -9.523 -6.987 136 HE2 PHE 19 2HE PHE 19 2.103 -13.407 -6.835 137 HZ PHE 19 HZ PHE 19 4.005 -11.946 -7.398 138 H HIS 20 H HIS 20 -2.153 -9.442 -2.471 139 HA HIS 20 HA HIS 20 -3.916 -7.424 -3.463 140 1HB HIS 20 2HB HIS 20 -3.998 -9.488 -1.328 141 2HB HIS 20 1HB HIS 20 -5.078 -8.111 -1.145 142 HD1 HIS 20 1HD HIS 20 -7.171 -9.556 -1.550 143 HD2 HIS 20 2HD HIS 20 -4.475 -9.569 -4.712 144 HE1 HIS 20 1HE HIS 20 -8.405 -10.592 -3.480 145 HE2 HIS 20 2HE HIS 20 -6.726 -10.668 -5.357 146 H LYS 21 H LYS 21 -2.362 -7.860 -0.281 147 HA LYS 21 HA LYS 21 -3.055 -5.339 0.729 148 1HB LYS 21 2HB LYS 21 -2.324 -7.200 2.148 149 2HB LYS 21 1HB LYS 21 -0.708 -7.097 1.462 150 1HG LYS 21 2HG LYS 21 -1.005 -4.570 2.331 151 2HG LYS 21 1HG LYS 21 -2.015 -5.423 3.500 152 1HD LYS 21 2HD LYS 21 -0.249 -6.418 4.486 153 2HD LYS 21 1HD LYS 21 0.583 -6.685 2.952 154 1HE LYS 21 2HE LYS 21 0.376 -3.884 3.867 155 2HE LYS 21 1HE LYS 21 1.424 -4.940 4.813 156 1HZ LYS 21 1HZ LYS 21 1.730 -3.988 2.076 157 2HZ LYS 21 2HZ LYS 21 2.240 -5.570 2.388 158 3HZ LYS 21 3HZ LYS 21 2.904 -4.280 3.258 159 H ILE 22 H ILE 22 -0.111 -6.431 -0.925 160 HA ILE 22 HA ILE 22 1.298 -4.010 -0.673 161 HB ILE 22 HB ILE 22 2.857 -4.884 -2.214 162 1HG1 ILE 22 2HG1 ILE 22 0.731 -6.826 -3.119 163 2HG1 ILE 22 1HG1 ILE 22 1.334 -5.453 -4.039 164 1HG2 ILE 22 1HG2 ILE 22 2.500 -7.528 -1.441 165 2HG2 ILE 22 2HG2 ILE 22 1.763 -6.569 -0.159 166 3HG2 ILE 22 3HG2 ILE 22 3.444 -6.292 -0.611 167 1HD1 ILE 22 1HD1 ILE 22 2.597 -7.059 -4.988 168 2HD1 ILE 22 2HD1 ILE 22 2.551 -8.095 -3.563 169 3HD1 ILE 22 3HD1 ILE 22 3.643 -6.710 -3.612 170 H PHE 23 H PHE 23 -0.826 -5.266 -3.224 171 HA PHE 23 HA PHE 23 -0.406 -3.215 -5.091 172 1HB PHE 23 2HB PHE 23 -1.531 -5.281 -5.718 173 2HB PHE 23 1HB PHE 23 -2.850 -4.936 -4.605 174 HD1 PHE 23 1HD PHE 23 -4.770 -4.002 -5.451 175 HD2 PHE 23 2HD PHE 23 -1.100 -3.398 -7.517 176 HE1 PHE 23 1HE PHE 23 -5.978 -2.830 -7.245 177 HE2 PHE 23 2HE PHE 23 -2.300 -2.224 -9.316 178 HZ PHE 23 HZ PHE 23 -4.743 -1.937 -9.181 179 H THR 24 H THR 24 -3.188 -3.650 -2.911 180 HA THR 24 HA THR 24 -4.285 -1.120 -3.281 181 HB THR 24 HB THR 24 -5.202 -1.576 -0.878 182 HG1 THR 24 1HG THR 24 -4.397 -4.201 -1.496 183 1HG2 THR 24 1HG2 THR 24 -6.741 -3.321 -1.759 184 2HG2 THR 24 2HG2 THR 24 -5.778 -3.329 -3.237 185 3HG2 THR 24 3HG2 THR 24 -6.623 -1.862 -2.742 186 H SER 25 H SER 25 -1.826 -2.251 -1.022 187 HA SER 25 HA SER 25 -1.622 -0.094 0.674 188 1HB SER 25 2HB SER 25 0.333 -2.087 -0.378 189 2HB SER 25 1HB SER 25 0.973 -0.685 0.479 190 HG SER 25 HG SER 25 0.530 -1.834 2.184 191 H SER 26 H SER 26 0.400 -0.542 -2.225 192 HA SER 26 HA SER 26 1.439 2.038 -2.307 193 1HB SER 26 2HB SER 26 2.249 1.513 -4.459 194 2HB SER 26 1HB SER 26 2.158 -0.042 -3.632 195 HG SER 26 HG SER 26 0.251 -0.480 -4.726 196 H ILE 27 H ILE 27 -1.578 0.767 -3.609 197 HA ILE 27 HA ILE 27 -2.230 2.967 -5.246 198 HB ILE 27 HB ILE 27 -3.995 0.909 -3.925 199 1HG1 ILE 27 2HG1 ILE 27 -2.335 0.175 -5.669 200 2HG1 ILE 27 1HG1 ILE 27 -4.016 -0.164 -6.068 201 1HG2 ILE 27 1HG2 ILE 27 -5.576 2.517 -4.299 202 2HG2 ILE 27 2HG2 ILE 27 -5.562 1.736 -5.880 203 3HG2 ILE 27 3HG2 ILE 27 -4.682 3.244 -5.635 204 1HD1 ILE 27 1HD1 ILE 27 -3.266 2.404 -7.091 205 2HD1 ILE 27 2HD1 ILE 27 -3.840 0.975 -7.952 206 3HD1 ILE 27 3HD1 ILE 27 -2.119 1.174 -7.621 207 H LEU 28 H LEU 28 -3.769 2.117 -2.130 208 HA LEU 28 HA LEU 28 -5.064 4.558 -1.791 209 1HB LEU 28 2HB LEU 28 -5.209 3.898 0.622 210 2HB LEU 28 1HB LEU 28 -5.802 2.709 -0.522 211 HG LEU 28 HG LEU 28 -3.120 2.035 -0.136 212 1HD1 LEU 28 1HD1 LEU 28 -3.325 3.621 1.858 213 2HD1 LEU 28 2HD1 LEU 28 -2.691 2.001 2.154 214 3HD1 LEU 28 3HD1 LEU 28 -4.363 2.384 2.567 215 1HD2 LEU 28 1HD2 LEU 28 -3.974 0.002 0.509 216 2HD2 LEU 28 2HD2 LEU 28 -5.359 0.695 -0.335 217 3HD2 LEU 28 3HD2 LEU 28 -5.295 0.725 1.428 218 H VAL 29 H VAL 29 -1.862 3.547 -0.678 219 HA VAL 29 HA VAL 29 -1.366 5.851 0.881 220 HB VAL 29 HB VAL 29 0.923 5.146 0.968 221 1HG1 VAL 29 1HG1 VAL 29 0.493 2.574 1.371 222 2HG1 VAL 29 2HG1 VAL 29 -1.188 3.080 1.204 223 3HG1 VAL 29 3HG1 VAL 29 -0.168 3.806 2.447 224 1HG2 VAL 29 1HG2 VAL 29 1.646 4.611 -1.144 225 2HG2 VAL 29 2HG2 VAL 29 0.233 3.616 -1.488 226 3HG2 VAL 29 3HG2 VAL 29 1.498 3.007 -0.423 227 H PHE 30 H PHE 30 -0.691 4.989 -2.478 228 HA PHE 30 HA PHE 30 0.891 7.213 -3.146 229 1HB PHE 30 2HB PHE 30 0.731 5.267 -4.609 230 2HB PHE 30 1HB PHE 30 -0.982 5.573 -4.871 231 HD1 PHE 30 1HD PHE 30 -1.216 6.075 -7.115 232 HD2 PHE 30 2HD PHE 30 1.923 7.901 -4.896 233 HE1 PHE 30 1HE PHE 30 -0.664 7.479 -9.058 234 HE2 PHE 30 2HE PHE 30 2.480 9.308 -6.835 235 HZ PHE 30 HZ PHE 30 1.186 9.099 -8.920 236 H PHE 31 H PHE 31 -2.465 6.703 -4.196 237 HA PHE 31 HA PHE 31 -2.992 9.400 -4.747 238 1HB PHE 31 2HB PHE 31 -4.557 6.913 -4.508 239 2HB PHE 31 1HB PHE 31 -5.465 8.389 -4.196 240 HD1 PHE 31 1HD PHE 31 -2.707 7.714 -6.604 241 HD2 PHE 31 2HD PHE 31 -6.802 8.731 -6.047 242 HE1 PHE 31 1HE PHE 31 -2.943 8.076 -9.026 243 HE2 PHE 31 2HE PHE 31 -7.046 9.093 -8.469 244 HZ PHE 31 HZ PHE 31 -5.114 8.766 -9.962 245 H GLY 32 H GLY 32 -3.206 7.500 -1.828 246 1HA GLY 32 2HA GLY 32 -4.840 9.117 -0.255 247 2HA GLY 32 1HA GLY 32 -3.551 8.092 0.359 248 H VAL 33 H VAL 33 -1.284 9.164 -0.500 249 HA VAL 33 HA VAL 33 -0.962 11.444 1.107 250 HB VAL 33 HB VAL 33 0.625 9.499 -0.311 251 1HG1 VAL 33 1HG1 VAL 33 1.389 11.043 -1.837 252 2HG1 VAL 33 2HG1 VAL 33 2.618 11.045 -0.575 253 3HG1 VAL 33 3HG1 VAL 33 1.430 12.346 -0.651 254 1HG2 VAL 33 1HG2 VAL 33 2.299 10.380 1.452 255 2HG2 VAL 33 2HG2 VAL 33 0.855 9.495 1.948 256 3HG2 VAL 33 3HG2 VAL 33 0.892 11.255 2.060 257 H ALA 34 H ALA 34 -0.446 10.956 -2.378 258 HA ALA 34 HA ALA 34 -0.052 13.521 -3.204 259 1HB ALA 34 1HB ALA 34 -0.125 11.356 -4.582 260 2HB ALA 34 2HB ALA 34 -0.653 12.845 -5.365 261 3HB ALA 34 3HB ALA 34 -1.846 11.691 -4.770 262 H ALA 35 H ALA 35 -3.101 11.981 -2.368 263 HA ALA 35 HA ALA 35 -4.818 14.049 -3.245 264 1HB ALA 35 1HB ALA 35 -5.819 11.953 -2.866 265 2HB ALA 35 2HB ALA 35 -6.435 12.999 -1.587 266 3HB ALA 35 3HB ALA 35 -5.154 11.839 -1.236 267 H PHE 36 H PHE 36 -4.406 13.167 0.177 268 HA PHE 36 HA PHE 36 -5.129 15.684 1.159 269 1HB PHE 36 2HB PHE 36 -3.917 13.234 2.272 270 2HB PHE 36 1HB PHE 36 -3.580 14.708 3.173 271 HD1 PHE 36 1HD PHE 36 -6.434 12.882 1.623 272 HD2 PHE 36 2HD PHE 36 -5.075 15.389 4.780 273 HE1 PHE 36 1HE PHE 36 -8.646 12.729 2.690 274 HE2 PHE 36 2HE PHE 36 -7.284 15.242 5.854 275 HZ PHE 36 HZ PHE 36 -9.073 13.911 4.809 276 H ALA 37 H ALA 37 -1.905 14.254 0.829 277 HA ALA 37 HA ALA 37 -0.289 16.234 1.759 278 1HB ALA 37 1HB ALA 37 0.357 14.768 -0.786 279 2HB ALA 37 2HB ALA 37 0.348 13.967 0.785 280 3HB ALA 37 3HB ALA 37 1.459 15.302 0.482 281 H HIS 38 H HIS 38 -1.204 15.944 -1.698 282 HA HIS 38 HA HIS 38 -0.205 18.533 -2.326 283 1HB HIS 38 2HB HIS 38 -2.190 16.914 -3.929 284 2HB HIS 38 1HB HIS 38 -1.138 18.193 -4.521 285 HD1 HIS 38 1HD HIS 38 1.232 16.739 -2.618 286 HD2 HIS 38 2HD HIS 38 -0.852 15.284 -5.906 287 HE1 HIS 38 1HE HIS 38 2.669 14.907 -3.569 288 HE2 HIS 38 2HE HIS 38 1.349 13.986 -5.506 289 H LEU 39 H LEU 39 -3.143 17.433 -0.948 290 HA LEU 39 HA LEU 39 -4.858 19.502 -1.848 291 1HB LEU 39 2HB LEU 39 -4.989 17.279 -0.015 292 2HB LEU 39 1HB LEU 39 -5.726 18.698 0.701 293 HG LEU 39 HG LEU 39 -7.242 18.907 -1.198 294 1HD1 LEU 39 1HD1 LEU 39 -5.444 17.690 -2.707 295 2HD1 LEU 39 2HD1 LEU 39 -7.164 17.653 -3.097 296 3HD1 LEU 39 3HD1 LEU 39 -6.413 16.275 -2.292 297 1HD2 LEU 39 1HD2 LEU 39 -8.612 16.972 -0.765 298 2HD2 LEU 39 2HD2 LEU 39 -7.852 17.497 0.737 299 3HD2 LEU 39 3HD2 LEU 39 -7.225 16.091 -0.122 300 H LEU 40 H LEU 40 -2.456 19.290 0.656 301 HA LEU 40 HA LEU 40 -3.267 21.932 1.666 302 1HB LEU 40 2HB LEU 40 -1.205 20.866 3.287 303 2HB LEU 40 1HB LEU 40 -2.882 21.146 3.705 304 HG LEU 40 HG LEU 40 -1.955 18.605 2.378 305 1HD1 LEU 40 1HD1 LEU 40 -2.013 19.355 5.280 306 2HD1 LEU 40 2HD1 LEU 40 -0.724 18.580 4.359 307 3HD1 LEU 40 3HD1 LEU 40 -2.190 17.682 4.753 308 1HD2 LEU 40 1HD2 LEU 40 -4.037 17.715 3.104 309 2HD2 LEU 40 2HD2 LEU 40 -4.382 19.259 2.323 310 3HD2 LEU 40 3HD2 LEU 40 -4.378 19.142 4.083 311 H VAL 41 H VAL 41 -0.290 20.079 0.984 312 HA VAL 41 HA VAL 41 1.358 22.389 0.915 313 HB VAL 41 HB VAL 41 3.118 20.959 0.106 314 1HG1 VAL 41 1HG1 VAL 41 1.948 20.706 2.493 315 2HG1 VAL 41 2HG1 VAL 41 3.355 19.759 2.012 316 3HG1 VAL 41 3HG1 VAL 41 1.741 19.057 1.904 317 1HG2 VAL 41 1HG2 VAL 41 2.746 19.274 -1.293 318 2HG2 VAL 41 2HG2 VAL 41 1.011 19.540 -1.141 319 3HG2 VAL 41 3HG2 VAL 41 1.829 18.420 -0.053 320 H TRP 42 H TRP 42 -0.895 21.245 -1.314 321 HA TRP 42 HA TRP 42 -1.326 21.680 -3.511 322 1HB TRP 42 2HB TRP 42 -1.244 23.997 -2.429 323 2HB TRP 42 1HB TRP 42 0.355 24.156 -3.147 324 HD1 TRP 42 HD TRP 42 -2.184 22.340 -5.263 325 HE1 TRP 42 1HE TRP 42 -2.903 23.850 -7.221 326 HE3 TRP 42 3HE TRP 42 -0.032 26.722 -3.743 327 HZ2 TRP 42 2HZ TRP 42 -2.597 26.541 -8.014 328 HZ3 TRP 42 3HZ TRP 42 -0.293 28.718 -5.159 329 HH2 TRP 42 HH TRP 42 -1.549 28.628 -7.250 330 H ILE 43 H ILE 43 0.310 19.804 -3.741 331 HA ILE 43 HA ILE 43 1.848 18.810 -5.093 332 HB ILE 43 HB ILE 43 2.253 21.491 -6.412 333 1HG1 ILE 43 2HG1 ILE 43 0.561 19.869 -7.983 334 2HG1 ILE 43 1HG1 ILE 43 -0.091 19.810 -6.349 335 1HG2 ILE 43 1HG2 ILE 43 3.896 20.202 -7.311 336 2HG2 ILE 43 2HG2 ILE 43 2.571 19.725 -8.371 337 3HG2 ILE 43 3HG2 ILE 43 3.031 18.695 -7.015 338 1HD1 ILE 43 1HD1 ILE 43 -1.175 21.599 -7.386 339 2HD1 ILE 43 2HD1 ILE 43 0.316 22.196 -8.113 340 3HD1 ILE 43 3HD1 ILE 43 0.060 22.346 -6.375 341 H TRP 44 H TRP 44 2.527 20.768 -2.702 342 HA TRP 44 HA TRP 44 4.403 20.905 -1.397 343 1HB TRP 44 2HB TRP 44 5.220 18.997 -3.182 344 2HB TRP 44 1HB TRP 44 6.405 20.270 -3.452 345 HD1 TRP 44 HD TRP 44 4.920 19.505 0.011 346 HE1 TRP 44 1HE TRP 44 6.821 18.703 1.550 347 HE3 TRP 44 3HE TRP 44 8.690 19.227 -3.431 348 HZ2 TRP 44 2HZ TRP 44 9.556 18.038 1.333 349 HZ3 TRP 44 3HZ TRP 44 10.918 18.499 -2.685 350 HH2 TRP 44 HH TRP 44 11.341 17.918 -0.351 351 H ARG 45 H ARG 45 5.659 21.690 -4.640 352 HA ARG 45 HA ARG 45 7.059 23.954 -3.870 353 1HB ARG 45 2HB ARG 45 6.217 22.743 -6.386 354 2HB ARG 45 1HB ARG 45 6.339 24.494 -6.484 355 1HG ARG 45 2HG ARG 45 8.649 24.166 -5.381 356 2HG ARG 45 1HG ARG 45 8.472 22.486 -5.890 357 1HD ARG 45 2HD ARG 45 7.908 23.503 -8.204 358 2HD ARG 45 1HD ARG 45 8.669 24.960 -7.565 359 HE ARG 45 HE ARG 45 10.276 22.603 -7.250 360 1HH1 ARG 45 1HH1 ARG 45 9.399 25.184 -9.429 361 2HH1 ARG 45 2HH1 ARG 45 10.869 25.084 -10.339 362 1HH2 ARG 45 1HH2 ARG 45 12.209 22.470 -8.445 363 2HH2 ARG 45 2HH2 ARG 45 12.465 23.543 -9.781 364 HA PRO 46 HA PRO 46 3.309 26.716 -5.547 365 1HB PRO 46 2HB PRO 46 1.195 24.709 -4.905 366 2HB PRO 46 1HB PRO 46 1.236 25.933 -6.179 367 1HG PRO 46 2HG PRO 46 1.707 23.366 -6.730 368 2HG PRO 46 1HG PRO 46 2.598 24.661 -7.547 369 1HD PRO 46 2HD PRO 46 3.502 22.787 -5.426 370 2HD PRO 46 1HD PRO 46 4.427 23.560 -6.727 371 H TRP 47 H TRP 47 2.687 24.331 -2.971 372 HA TRP 47 HA TRP 47 2.258 24.571 -0.749 373 1HB TRP 47 2HB TRP 47 4.280 26.008 -0.809 374 2HB TRP 47 1HB TRP 47 3.252 27.402 -1.129 375 HD1 TRP 47 HD TRP 47 3.058 28.796 0.996 376 HE1 TRP 47 1HE TRP 47 2.763 28.314 3.508 377 HE3 TRP 47 3HE TRP 47 3.169 23.686 0.863 378 HZ2 TRP 47 2HZ TRP 47 2.599 26.067 5.207 379 HZ3 TRP 47 3HZ TRP 47 2.937 22.446 2.976 380 HH2 TRP 47 HH TRP 47 2.658 23.613 5.103 381 H VAL 48 H VAL 48 0.273 24.601 0.007 382 HA VAL 48 HA VAL 48 -1.940 25.068 0.233 383 HB VAL 48 HB VAL 48 -2.440 27.418 0.959 384 1HG1 VAL 48 1HG1 VAL 48 -0.396 25.651 2.201 385 2HG1 VAL 48 2HG1 VAL 48 -2.024 26.056 2.746 386 3HG1 VAL 48 3HG1 VAL 48 -0.713 27.223 2.934 387 1HG2 VAL 48 1HG2 VAL 48 -0.624 28.965 1.303 388 2HG2 VAL 48 2HG2 VAL 48 -0.686 28.520 -0.401 389 3HG2 VAL 48 3HG2 VAL 48 0.535 27.809 0.652 390 HA PRO 49 HA PRO 49 -3.261 26.060 -3.941 391 1HB PRO 49 2HB PRO 49 -5.936 25.601 -3.444 392 2HB PRO 49 1HB PRO 49 -4.768 24.356 -3.896 393 1HG PRO 49 2HG PRO 49 -5.812 25.086 -1.196 394 2HG PRO 49 1HG PRO 49 -5.467 23.485 -1.870 395 1HD PRO 49 2HD PRO 49 -3.798 24.686 -0.139 396 2HD PRO 49 1HD PRO 49 -3.196 23.663 -1.461 397 H GLY 50 H GLY 50 -5.993 26.927 -1.861 398 1HA GLY 50 2HA GLY 50 -6.301 29.233 -1.085 399 2HA GLY 50 1HA GLY 50 -5.520 29.756 -2.569 400 HA PRO 51 HA PRO 51 -9.192 29.913 -5.015 401 1HB PRO 51 2HB PRO 51 -8.715 27.243 -6.257 402 2HB PRO 51 1HB PRO 51 -9.036 28.801 -7.027 403 1HG PRO 51 2HG PRO 51 -6.579 27.788 -7.011 404 2HG PRO 51 1HG PRO 51 -6.844 29.526 -6.778 405 1HD PRO 51 2HD PRO 51 -6.157 27.425 -4.771 406 2HD PRO 51 1HD PRO 51 -5.636 29.121 -4.855 407 H ASN 52 H ASN 52 -8.632 26.935 -3.287 408 HA ASN 52 HA ASN 52 -11.042 25.626 -3.492 409 1HB ASN 52 2HB ASN 52 -8.962 25.827 -1.376 410 2HB ASN 52 1HB ASN 52 -10.510 25.124 -0.916 411 1HD2 ASN 52 1HD2 ASN 52 -8.473 23.502 -0.689 412 2HD2 ASN 52 2HD2 ASN 52 -8.414 22.342 -1.967 413 H GLY 53 H GLY 53 -10.325 28.580 -1.792 414 1HA GLY 53 2HA GLY 53 -12.901 28.546 -0.413 415 2HA GLY 53 1HA GLY 53 -11.629 29.741 -0.210 416 H TYR 54 H TYR 54 -12.250 31.680 -0.862 417 HA TYR 54 HA TYR 54 -13.236 33.359 -2.040 418 1HB TYR 54 2HB TYR 54 -12.720 31.312 -4.176 419 2HB TYR 54 1HB TYR 54 -13.569 32.803 -4.564 420 HD1 TYR 54 1HD TYR 54 -10.592 31.983 -2.449 421 HD2 TYR 54 2HD TYR 54 -12.187 34.294 -5.646 422 HE1 TYR 54 1HE TYR 54 -8.436 33.142 -2.679 423 HE2 TYR 54 2HE TYR 54 -10.035 35.460 -5.885 424 HH TYR 54 HH TYR 54 -7.379 34.596 -5.113 425 H SER 55 H SER 55 -14.941 31.591 -0.591 426 HA SER 55 HA SER 55 -17.149 31.147 -0.283 427 1HB SER 55 2HB SER 55 -17.656 33.419 -0.660 428 2HB SER 55 1HB SER 55 -17.294 33.302 -2.382 429 HG SER 55 HG SER 55 -19.361 33.002 -2.581 Start of MODEL 5 1 1H ALA 1 1H ALA 1 -8.345 -24.580 -9.727 2 HA ALA 1 HA ALA 1 -9.344 -26.986 -8.604 3 1HB ALA 1 1HB ALA 1 -7.328 -27.235 -6.939 4 2HB ALA 1 2HB ALA 1 -6.413 -26.571 -8.292 5 3HB ALA 1 3HB ALA 1 -7.328 -28.065 -8.494 6 H GLU 2 H GLU 2 -10.182 -26.662 -6.556 7 HA GLU 2 HA GLU 2 -9.929 -23.912 -5.537 8 1HB GLU 2 2HB GLU 2 -12.176 -25.842 -4.960 9 2HB GLU 2 1HB GLU 2 -12.141 -24.111 -4.653 10 1HG GLU 2 2HG GLU 2 -11.913 -25.189 -7.434 11 2HG GLU 2 1HG GLU 2 -13.482 -24.982 -6.658 12 H VAL 3 H VAL 3 -10.013 -27.313 -4.599 13 HA VAL 3 HA VAL 3 -8.184 -27.009 -2.502 14 HB VAL 3 HB VAL 3 -10.008 -25.813 -1.373 15 1HG1 VAL 3 1HG1 VAL 3 -12.087 -26.814 -0.835 16 2HG1 VAL 3 2HG1 VAL 3 -11.555 -28.394 -1.409 17 3HG1 VAL 3 3HG1 VAL 3 -11.833 -27.086 -2.559 18 1HG2 VAL 3 1HG2 VAL 3 -9.715 -26.809 0.693 19 2HG2 VAL 3 2HG2 VAL 3 -8.351 -27.453 -0.222 20 3HG2 VAL 3 3HG2 VAL 3 -9.788 -28.443 0.032 21 H LYS 4 H LYS 4 -11.055 -28.806 -3.537 22 HA LYS 4 HA LYS 4 -11.561 -31.061 -3.331 23 1HB LYS 4 2HB LYS 4 -9.134 -30.720 -5.043 24 2HB LYS 4 1HB LYS 4 -9.753 -32.339 -4.745 25 1HG LYS 4 2HG LYS 4 -11.978 -31.541 -5.574 26 2HG LYS 4 1HG LYS 4 -11.181 -30.043 -6.060 27 1HD LYS 4 2HD LYS 4 -10.297 -32.775 -6.977 28 2HD LYS 4 1HD LYS 4 -11.430 -31.763 -7.877 29 1HE LYS 4 2HE LYS 4 -9.795 -30.082 -8.221 30 2HE LYS 4 1HE LYS 4 -8.696 -30.816 -7.053 31 1HZ LYS 4 1HZ LYS 4 -8.219 -32.570 -8.508 32 2HZ LYS 4 2HZ LYS 4 -8.191 -31.190 -9.487 33 3HZ LYS 4 3HZ LYS 4 -9.531 -32.222 -9.519 34 H GLN 5 H GLN 5 -10.330 -30.306 -0.936 35 HA GLN 5 HA GLN 5 -9.502 -32.818 0.061 36 1HB GLN 5 2HB GLN 5 -7.416 -31.026 -0.917 37 2HB GLN 5 1HB GLN 5 -7.191 -31.455 0.773 38 1HG GLN 5 2HG GLN 5 -7.720 -33.881 -0.244 39 2HG GLN 5 1HG GLN 5 -6.984 -33.115 -1.650 40 1HE2 GLN 5 1HE2 GLN 5 -6.380 -32.955 1.844 41 2HE2 GLN 5 2HE2 GLN 5 -4.700 -33.344 1.744 42 H GLU 6 H GLU 6 -8.244 -29.653 0.985 43 HA GLU 6 HA GLU 6 -10.166 -28.855 2.806 44 1HB GLU 6 2HB GLU 6 -8.623 -29.489 4.901 45 2HB GLU 6 1HB GLU 6 -9.942 -30.514 4.358 46 1HG GLU 6 2HG GLU 6 -8.568 -32.168 3.756 47 2HG GLU 6 1HG GLU 6 -7.398 -31.067 3.032 48 H SER 7 H SER 7 -6.675 -29.254 3.350 49 HA SER 7 HA SER 7 -6.279 -26.495 3.888 50 1HB SER 7 2HB SER 7 -3.944 -28.101 3.016 51 2HB SER 7 1HB SER 7 -4.152 -27.102 4.455 52 HG SER 7 HG SER 7 -5.598 -28.853 5.187 53 H LEU 8 H LEU 8 -3.874 -26.054 2.350 54 HA LEU 8 HA LEU 8 -3.084 -25.451 0.313 55 1HB LEU 8 2HB LEU 8 -5.637 -26.271 -0.972 56 2HB LEU 8 1HB LEU 8 -4.029 -26.181 -1.662 57 HG LEU 8 HG LEU 8 -4.116 -28.106 0.495 58 1HD1 LEU 8 1HD1 LEU 8 -6.184 -28.905 0.157 59 2HD1 LEU 8 2HD1 LEU 8 -5.471 -29.656 -1.270 60 3HD1 LEU 8 3HD1 LEU 8 -6.339 -28.128 -1.418 61 1HD2 LEU 8 1HD2 LEU 8 -3.286 -29.582 -1.372 62 2HD2 LEU 8 2HD2 LEU 8 -2.328 -28.135 -1.055 63 3HD2 LEU 8 3HD2 LEU 8 -3.430 -28.180 -2.432 64 H SER 9 H SER 9 -6.537 -24.788 0.856 65 HA SER 9 HA SER 9 -6.781 -22.504 -0.697 66 1HB SER 9 2HB SER 9 -8.121 -22.486 1.963 67 2HB SER 9 1HB SER 9 -8.792 -22.172 0.363 68 HG SER 9 HG SER 9 -9.485 -24.177 1.338 69 H GLY 10 H GLY 10 -5.208 -22.996 2.359 70 1HA GLY 10 2HA GLY 10 -4.923 -20.194 2.966 71 2HA GLY 10 1HA GLY 10 -4.148 -21.532 3.803 72 H ILE 11 H ILE 11 -3.236 -22.525 1.046 73 HA ILE 11 HA ILE 11 -0.713 -21.118 1.093 74 HB ILE 11 HB ILE 11 -1.601 -23.226 -0.876 75 1HG1 ILE 11 2HG1 ILE 11 -0.142 -23.630 1.744 76 2HG1 ILE 11 1HG1 ILE 11 -1.849 -23.979 1.492 77 1HG2 ILE 11 1HG2 ILE 11 0.877 -23.665 -0.943 78 2HG2 ILE 11 2HG2 ILE 11 1.087 -22.171 -0.027 79 3HG2 ILE 11 3HG2 ILE 11 0.359 -22.126 -1.633 80 1HD1 ILE 11 1HD1 ILE 11 0.544 -25.380 0.381 81 2HD1 ILE 11 2HD1 ILE 11 -1.032 -25.514 -0.399 82 3HD1 ILE 11 3HD1 ILE 11 -0.828 -26.042 1.271 83 H THR 12 H THR 12 -3.136 -21.780 -1.441 84 HA THR 12 HA THR 12 -2.066 -19.968 -3.313 85 HB THR 12 HB THR 12 -4.907 -20.978 -3.067 86 HG1 THR 12 1HG THR 12 -2.715 -22.000 -4.546 87 1HG2 THR 12 1HG2 THR 12 -3.728 -20.404 -5.702 88 2HG2 THR 12 2HG2 THR 12 -4.172 -19.009 -4.718 89 3HG2 THR 12 3HG2 THR 12 -5.386 -20.221 -5.128 90 H GLU 13 H GLU 13 -4.755 -19.656 -1.008 91 HA GLU 13 HA GLU 13 -5.306 -16.943 -1.699 92 1HB GLU 13 2HB GLU 13 -6.873 -18.657 -0.584 93 2HB GLU 13 1HB GLU 13 -6.055 -18.236 0.913 94 1HG GLU 13 2HG GLU 13 -6.996 -15.942 -0.645 95 2HG GLU 13 1HG GLU 13 -8.270 -17.006 -0.050 96 H GLY 14 H GLY 14 -3.194 -18.534 0.572 97 1HA GLY 14 2HA GLY 14 -2.700 -16.347 2.292 98 2HA GLY 14 1HA GLY 14 -1.638 -17.727 2.057 99 H GLU 15 H GLU 15 -0.576 -17.645 -0.263 100 HA GLU 15 HA GLU 15 1.167 -15.434 -0.261 101 1HB GLU 15 2HB GLU 15 0.623 -17.343 -2.544 102 2HB GLU 15 1HB GLU 15 2.052 -16.341 -2.338 103 1HG GLU 15 2HG GLU 15 2.842 -17.629 -0.556 104 2HG GLU 15 1HG GLU 15 1.275 -18.398 -0.305 105 H ALA 16 H ALA 16 -1.650 -16.238 -2.236 106 HA ALA 16 HA ALA 16 -1.514 -14.099 -4.038 107 1HB ALA 16 1HB ALA 16 -3.869 -14.533 -4.468 108 2HB ALA 16 2HB ALA 16 -3.980 -15.490 -2.991 109 3HB ALA 16 3HB ALA 16 -2.980 -16.049 -4.332 110 H LYS 17 H LYS 17 -3.003 -14.376 -0.848 111 HA LYS 17 HA LYS 17 -4.288 -11.871 -0.824 112 1HB LYS 17 2HB LYS 17 -4.862 -13.622 0.767 113 2HB LYS 17 1HB LYS 17 -3.249 -13.555 1.462 114 1HG LYS 17 2HG LYS 17 -3.640 -11.433 2.414 115 2HG LYS 17 1HG LYS 17 -5.107 -11.197 1.463 116 1HD LYS 17 2HD LYS 17 -6.365 -12.540 2.814 117 2HD LYS 17 1HD LYS 17 -4.994 -13.558 3.260 118 1HE LYS 17 2HE LYS 17 -4.430 -12.256 5.013 119 2HE LYS 17 1HE LYS 17 -4.843 -10.764 4.170 120 1HZ LYS 17 1HZ LYS 17 -7.233 -11.442 4.516 121 2HZ LYS 17 2HZ LYS 17 -6.387 -10.972 5.903 122 3HZ LYS 17 3HZ LYS 17 -6.661 -12.613 5.597 123 H GLU 18 H GLU 18 -1.117 -12.892 0.422 124 HA GLU 18 HA GLU 18 -0.336 -10.414 1.469 125 1HB GLU 18 2HB GLU 18 0.823 -12.522 1.976 126 2HB GLU 18 1HB GLU 18 1.399 -12.607 0.316 127 1HG GLU 18 2HG GLU 18 2.053 -10.114 1.707 128 2HG GLU 18 1HG GLU 18 2.789 -11.561 2.395 129 H PHE 19 H PHE 19 0.098 -11.813 -1.754 130 HA PHE 19 HA PHE 19 1.719 -9.804 -2.839 131 1HB PHE 19 2HB PHE 19 1.317 -11.991 -3.922 132 2HB PHE 19 1HB PHE 19 -0.340 -11.503 -4.265 133 HD1 PHE 19 1HD PHE 19 3.190 -10.535 -4.901 134 HD2 PHE 19 2HD PHE 19 -0.846 -10.405 -6.242 135 HE1 PHE 19 1HE PHE 19 3.931 -9.530 -7.021 136 HE2 PHE 19 2HE PHE 19 -0.112 -9.400 -8.365 137 HZ PHE 19 HZ PHE 19 2.279 -8.961 -8.756 138 H HIS 20 H HIS 20 -1.812 -10.224 -3.173 139 HA HIS 20 HA HIS 20 -2.271 -7.761 -4.442 140 1HB HIS 20 2HB HIS 20 -4.082 -9.525 -2.789 141 2HB HIS 20 1HB HIS 20 -4.649 -8.084 -3.626 142 HD1 HIS 20 1HD HIS 20 -2.399 -9.126 -5.983 143 HD2 HIS 20 2HD HIS 20 -5.961 -10.796 -4.647 144 HE1 HIS 20 1HE HIS 20 -3.167 -10.642 -7.836 145 HE2 HIS 20 2HE HIS 20 -5.364 -11.583 -7.037 146 H LYS 21 H LYS 21 -1.980 -8.659 -1.079 147 HA LYS 21 HA LYS 21 -3.087 -6.406 0.139 148 1HB LYS 21 2HB LYS 21 -1.393 -8.626 0.921 149 2HB LYS 21 1HB LYS 21 -0.910 -7.147 1.736 150 1HG LYS 21 2HG LYS 21 -2.536 -8.462 3.024 151 2HG LYS 21 1HG LYS 21 -3.129 -6.850 2.621 152 1HD LYS 21 2HD LYS 21 -3.956 -8.427 0.493 153 2HD LYS 21 1HD LYS 21 -4.193 -9.455 1.907 154 1HE LYS 21 2HE LYS 21 -5.189 -7.119 2.825 155 2HE LYS 21 1HE LYS 21 -5.570 -6.975 1.109 156 1HZ LYS 21 1HZ LYS 21 -6.648 -8.794 3.103 157 2HZ LYS 21 2HZ LYS 21 -6.372 -9.461 1.572 158 3HZ LYS 21 3HZ LYS 21 -7.387 -8.118 1.738 159 H ILE 22 H ILE 22 0.426 -6.992 -0.081 160 HA ILE 22 HA ILE 22 1.203 -4.385 0.404 161 HB ILE 22 HB ILE 22 2.617 -6.540 0.275 162 1HG1 ILE 22 2HG1 ILE 22 4.665 -5.207 -0.077 163 2HG1 ILE 22 1HG1 ILE 22 3.683 -3.903 -0.742 164 1HG2 ILE 22 1HG2 ILE 22 3.782 -7.005 -1.730 165 2HG2 ILE 22 2HG2 ILE 22 3.156 -5.553 -2.513 166 3HG2 ILE 22 3HG2 ILE 22 2.073 -6.901 -2.160 167 1HD1 ILE 22 1HD1 ILE 22 4.410 -4.274 1.908 168 2HD1 ILE 22 2HD1 ILE 22 2.704 -4.721 1.838 169 3HD1 ILE 22 3HD1 ILE 22 3.223 -3.130 1.278 170 H PHE 23 H PHE 23 0.118 -5.859 -2.567 171 HA PHE 23 HA PHE 23 1.086 -3.982 -4.405 172 1HB PHE 23 2HB PHE 23 -0.799 -6.171 -4.405 173 2HB PHE 23 1HB PHE 23 -1.429 -4.825 -5.348 174 HD1 PHE 23 1HD PHE 23 1.974 -6.284 -4.872 175 HD2 PHE 23 2HD PHE 23 -1.105 -5.164 -7.586 176 HE1 PHE 23 1HE PHE 23 3.405 -6.944 -6.760 177 HE2 PHE 23 2HE PHE 23 0.320 -5.823 -9.480 178 HZ PHE 23 HZ PHE 23 2.579 -6.714 -9.069 179 H THR 24 H THR 24 -2.371 -4.203 -3.636 180 HA THR 24 HA THR 24 -2.953 -1.565 -4.297 181 HB THR 24 HB THR 24 -5.049 -1.936 -3.004 182 HG1 THR 24 1HG THR 24 -3.932 -4.470 -2.421 183 1HG2 THR 24 1HG2 THR 24 -5.945 -3.193 -4.611 184 2HG2 THR 24 2HG2 THR 24 -4.787 -4.502 -4.371 185 3HG2 THR 24 3HG2 THR 24 -4.341 -3.095 -5.336 186 H SER 25 H SER 25 -1.768 -2.967 -1.335 187 HA SER 25 HA SER 25 -2.376 -0.964 0.486 188 1HB SER 25 2HB SER 25 -0.096 -2.912 0.279 189 2HB SER 25 1HB SER 25 -0.128 -1.709 1.568 190 HG SER 25 HG SER 25 -2.020 -3.749 1.036 191 H SER 26 H SER 26 0.932 -1.345 -0.725 192 HA SER 26 HA SER 26 1.732 1.264 -0.237 193 1HB SER 26 2HB SER 26 3.589 0.028 -0.632 194 2HB SER 26 1HB SER 26 2.768 -1.019 -1.789 195 HG SER 26 HG SER 26 3.050 0.553 -3.364 196 H ILE 27 H ILE 27 0.254 -0.087 -3.158 197 HA ILE 27 HA ILE 27 0.687 2.153 -4.815 198 HB ILE 27 HB ILE 27 -1.459 0.035 -4.956 199 1HG1 ILE 27 2HG1 ILE 27 0.944 -0.695 -5.133 200 2HG1 ILE 27 1HG1 ILE 27 -0.036 -1.055 -6.551 201 1HG2 ILE 27 1HG2 ILE 27 -1.242 0.864 -7.489 202 2HG2 ILE 27 2HG2 ILE 27 -0.895 2.383 -6.663 203 3HG2 ILE 27 3HG2 ILE 27 -2.413 1.539 -6.356 204 1HD1 ILE 27 1HD1 ILE 27 1.972 1.159 -6.238 205 2HD1 ILE 27 2HD1 ILE 27 0.894 0.984 -7.624 206 3HD1 ILE 27 3HD1 ILE 27 2.090 -0.264 -7.275 207 H LEU 28 H LEU 28 -2.441 1.125 -3.436 208 HA LEU 28 HA LEU 28 -3.785 3.493 -3.967 209 1HB LEU 28 2HB LEU 28 -4.353 1.613 -1.685 210 2HB LEU 28 1HB LEU 28 -5.487 2.706 -2.456 211 HG LEU 28 HG LEU 28 -4.236 0.249 -3.678 212 1HD1 LEU 28 1HD1 LEU 28 -6.073 -0.146 -2.094 213 2HD1 LEU 28 2HD1 LEU 28 -6.496 -0.592 -3.748 214 3HD1 LEU 28 3HD1 LEU 28 -7.105 0.911 -3.056 215 1HD2 LEU 28 1HD2 LEU 28 -4.362 1.574 -5.533 216 2HD2 LEU 28 2HD2 LEU 28 -5.688 2.542 -4.887 217 3HD2 LEU 28 3HD2 LEU 28 -6.001 0.922 -5.508 218 H VAL 29 H VAL 29 -1.959 2.585 -1.068 219 HA VAL 29 HA VAL 29 -2.725 4.850 0.444 220 HB VAL 29 HB VAL 29 -0.965 4.280 1.969 221 1HG1 VAL 29 1HG1 VAL 29 -2.692 2.164 0.874 222 2HG1 VAL 29 2HG1 VAL 29 -2.578 2.806 2.513 223 3HG1 VAL 29 3HG1 VAL 29 -1.392 1.632 1.941 224 1HG2 VAL 29 1HG2 VAL 29 0.166 2.831 -0.362 225 2HG2 VAL 29 2HG2 VAL 29 0.474 2.193 1.251 226 3HG2 VAL 29 3HG2 VAL 29 0.971 3.834 0.842 227 H PHE 30 H PHE 30 -0.053 4.166 -1.750 228 HA PHE 30 HA PHE 30 1.475 6.471 -1.264 229 1HB PHE 30 2HB PHE 30 2.373 4.597 -2.534 230 2HB PHE 30 1HB PHE 30 1.166 4.833 -3.793 231 HD1 PHE 30 1HD PHE 30 1.328 6.728 -5.327 232 HD2 PHE 30 2HD PHE 30 4.318 5.983 -2.392 233 HE1 PHE 30 1HE PHE 30 2.865 8.237 -6.516 234 HE2 PHE 30 2HE PHE 30 5.860 7.492 -3.575 235 HZ PHE 30 HZ PHE 30 5.134 8.622 -5.640 236 H PHE 31 H PHE 31 -0.457 5.904 -4.193 237 HA PHE 31 HA PHE 31 -0.689 8.621 -4.866 238 1HB PHE 31 2HB PHE 31 -1.492 6.131 -5.961 239 2HB PHE 31 1HB PHE 31 -2.931 7.140 -5.871 240 HD1 PHE 31 1HD PHE 31 -3.301 8.841 -7.428 241 HD2 PHE 31 2HD PHE 31 0.549 7.051 -7.140 242 HE1 PHE 31 1HE PHE 31 -2.605 10.019 -9.473 243 HE2 PHE 31 2HE PHE 31 1.253 8.228 -9.183 244 HZ PHE 31 HZ PHE 31 -0.324 9.714 -10.352 245 H GLY 32 H GLY 32 -2.531 6.534 -2.776 246 1HA GLY 32 2HA GLY 32 -4.921 7.968 -2.572 247 2HA GLY 32 1HA GLY 32 -4.237 6.959 -1.304 248 H VAL 33 H VAL 33 -1.973 8.212 -0.588 249 HA VAL 33 HA VAL 33 -2.894 10.370 0.960 250 HB VAL 33 HB VAL 33 -0.595 8.639 0.724 251 1HG1 VAL 33 1HG1 VAL 33 0.777 10.352 0.035 252 2HG1 VAL 33 2HG1 VAL 33 0.988 10.317 1.783 253 3HG1 VAL 33 3HG1 VAL 33 -0.038 11.547 1.044 254 1HG2 VAL 33 1HG2 VAL 33 -1.469 10.372 3.004 255 2HG2 VAL 33 2HG2 VAL 33 -0.501 8.897 3.074 256 3HG2 VAL 33 3HG2 VAL 33 -2.197 8.820 2.590 257 H ALA 34 H ALA 34 -0.351 10.178 -1.515 258 HA ALA 34 HA ALA 34 0.234 12.809 -1.881 259 1HB ALA 34 1HB ALA 34 1.080 12.253 -3.999 260 2HB ALA 34 2HB ALA 34 -0.125 10.988 -4.244 261 3HB ALA 34 3HB ALA 34 1.178 10.751 -3.080 262 H ALA 35 H ALA 35 -2.558 11.051 -3.109 263 HA ALA 35 HA ALA 35 -3.587 13.099 -4.766 264 1HB ALA 35 1HB ALA 35 -4.841 10.691 -3.478 265 2HB ALA 35 2HB ALA 35 -4.384 10.923 -5.166 266 3HB ALA 35 3HB ALA 35 -5.757 11.804 -4.494 267 H PHE 36 H PHE 36 -5.243 11.921 -1.845 268 HA PHE 36 HA PHE 36 -6.699 14.266 -1.420 269 1HB PHE 36 2HB PHE 36 -6.109 11.820 0.125 270 2HB PHE 36 1HB PHE 36 -6.576 13.218 1.087 271 HD1 PHE 36 1HD PHE 36 -7.699 11.934 -2.232 272 HD2 PHE 36 2HD PHE 36 -8.761 13.000 1.749 273 HE1 PHE 36 1HE PHE 36 -10.064 11.492 -2.748 274 HE2 PHE 36 2HE PHE 36 -11.127 12.559 1.240 275 HZ PHE 36 HZ PHE 36 -11.782 11.803 -1.011 276 H ALA 37 H ALA 37 -3.716 13.165 0.106 277 HA ALA 37 HA ALA 37 -3.253 15.144 1.942 278 1HB ALA 37 1HB ALA 37 -0.970 14.505 1.911 279 2HB ALA 37 2HB ALA 37 -1.072 13.959 0.237 280 3HB ALA 37 3HB ALA 37 -1.892 13.055 1.511 281 H HIS 38 H HIS 38 -2.247 15.181 -1.493 282 HA HIS 38 HA HIS 38 -1.060 17.752 -1.349 283 1HB HIS 38 2HB HIS 38 -2.044 16.089 -3.666 284 2HB HIS 38 1HB HIS 38 -1.323 17.679 -3.890 285 HD1 HIS 38 1HD HIS 38 0.120 15.421 -5.188 286 HD2 HIS 38 2HD HIS 38 0.848 16.539 -1.253 287 HE1 HIS 38 1HE HIS 38 2.423 14.561 -4.660 288 HE2 HIS 38 2HE HIS 38 2.809 15.177 -2.247 289 H LEU 39 H LEU 39 -4.225 16.651 -2.539 290 HA LEU 39 HA LEU 39 -5.160 19.269 -3.148 291 1HB LEU 39 2HB LEU 39 -5.999 16.737 -3.728 292 2HB LEU 39 1HB LEU 39 -7.182 17.225 -2.530 293 HG LEU 39 HG LEU 39 -7.601 19.285 -3.933 294 1HD1 LEU 39 1HD1 LEU 39 -5.354 18.812 -5.192 295 2HD1 LEU 39 2HD1 LEU 39 -6.723 19.535 -6.035 296 3HD1 LEU 39 3HD1 LEU 39 -6.383 17.813 -6.218 297 1HD2 LEU 39 1HD2 LEU 39 -9.276 17.690 -4.063 298 2HD2 LEU 39 2HD2 LEU 39 -8.223 16.496 -4.823 299 3HD2 LEU 39 3HD2 LEU 39 -8.800 17.882 -5.750 300 H LEU 40 H LEU 40 -4.702 17.666 -0.212 301 HA LEU 40 HA LEU 40 -6.847 19.078 1.166 302 1HB LEU 40 2HB LEU 40 -4.903 16.938 1.954 303 2HB LEU 40 1HB LEU 40 -5.777 17.840 3.177 304 HG LEU 40 HG LEU 40 -7.212 16.409 0.957 305 1HD1 LEU 40 1HD1 LEU 40 -5.735 14.830 2.195 306 2HD1 LEU 40 2HD1 LEU 40 -7.457 14.486 2.355 307 3HD1 LEU 40 3HD1 LEU 40 -6.588 15.270 3.674 308 1HD2 LEU 40 1HD2 LEU 40 -8.211 18.211 2.580 309 2HD2 LEU 40 2HD2 LEU 40 -8.246 16.862 3.714 310 3HD2 LEU 40 3HD2 LEU 40 -9.119 16.751 2.186 311 H VAL 41 H VAL 41 -3.458 19.355 0.570 312 HA VAL 41 HA VAL 41 -2.731 20.856 2.849 313 HB VAL 41 HB VAL 41 -1.125 19.762 1.276 314 1HG1 VAL 41 1HG1 VAL 41 -2.441 21.253 -0.660 315 2HG1 VAL 41 2HG1 VAL 41 -0.967 20.309 -0.873 316 3HG1 VAL 41 3HG1 VAL 41 -0.865 22.030 -0.501 317 1HG2 VAL 41 1HG2 VAL 41 0.022 21.092 2.720 318 2HG2 VAL 41 2HG2 VAL 41 -0.884 22.540 2.282 319 3HG2 VAL 41 3HG2 VAL 41 0.393 21.943 1.220 320 H TRP 42 H TRP 42 -4.388 21.691 -0.079 321 HA TRP 42 HA TRP 42 -5.369 23.602 -0.811 322 1HB TRP 42 2HB TRP 42 -5.726 23.554 1.943 323 2HB TRP 42 1HB TRP 42 -5.131 25.180 1.624 324 HD1 TRP 42 HD TRP 42 -6.905 26.887 0.904 325 HE1 TRP 42 1HE TRP 42 -9.334 26.768 0.062 326 HE3 TRP 42 3HE TRP 42 -7.355 21.815 0.435 327 HZ2 TRP 42 2HZ TRP 42 -11.195 24.787 -0.700 328 HZ3 TRP 42 3HZ TRP 42 -9.493 20.889 -0.356 329 HH2 TRP 42 HH TRP 42 -11.373 22.346 -0.911 330 H ILE 43 H ILE 43 -2.358 23.347 -0.722 331 HA ILE 43 HA ILE 43 -1.824 26.044 -1.605 332 HB ILE 43 HB ILE 43 0.203 26.300 -0.179 333 1HG1 ILE 43 2HG1 ILE 43 -0.868 24.478 1.875 334 2HG1 ILE 43 1HG1 ILE 43 -0.180 23.678 0.465 335 1HG2 ILE 43 1HG2 ILE 43 -2.220 26.117 1.572 336 2HG2 ILE 43 2HG2 ILE 43 -2.127 27.294 0.261 337 3HG2 ILE 43 3HG2 ILE 43 -0.941 27.331 1.565 338 1HD1 ILE 43 1HD1 ILE 43 1.133 25.257 2.581 339 2HD1 ILE 43 2HD1 ILE 43 1.776 25.418 0.946 340 3HD1 ILE 43 3HD1 ILE 43 1.693 23.830 1.710 341 H TRP 44 H TRP 44 -1.738 23.094 -2.450 342 HA TRP 44 HA TRP 44 -0.304 21.600 -3.481 343 1HB TRP 44 2HB TRP 44 -0.235 24.216 -4.931 344 2HB TRP 44 1HB TRP 44 0.735 22.873 -5.526 345 HD1 TRP 44 HD TRP 44 -0.828 20.491 -5.872 346 HE1 TRP 44 1HE TRP 44 -3.134 20.325 -7.002 347 HE3 TRP 44 3HE TRP 44 -2.284 25.375 -5.467 348 HZ2 TRP 44 2HZ TRP 44 -5.286 22.038 -7.638 349 HZ3 TRP 44 3HZ TRP 44 -4.481 26.028 -6.362 350 HH2 TRP 44 HH TRP 44 -5.949 24.393 -7.425 351 H ARG 45 H ARG 45 1.027 22.565 -1.178 352 HA ARG 45 HA ARG 45 3.761 22.159 -2.039 353 1HB ARG 45 2HB ARG 45 2.900 24.669 -0.604 354 2HB ARG 45 1HB ARG 45 4.570 24.131 -0.701 355 1HG ARG 45 2HG ARG 45 4.480 24.287 -3.138 356 2HG ARG 45 1HG ARG 45 2.804 24.833 -3.036 357 1HD ARG 45 2HD ARG 45 3.881 26.629 -1.413 358 2HD ARG 45 1HD ARG 45 5.321 26.263 -2.361 359 HE ARG 45 HE ARG 45 3.062 26.780 -4.019 360 1HH1 ARG 45 1HH1 ARG 45 5.535 28.328 -2.106 361 2HH1 ARG 45 2HH1 ARG 45 5.496 29.799 -3.019 362 1HH2 ARG 45 1HH2 ARG 45 3.009 28.713 -5.221 363 2HH2 ARG 45 2HH2 ARG 45 4.062 30.018 -4.788 364 HA PRO 46 HA PRO 46 2.639 20.605 2.272 365 1HB PRO 46 2HB PRO 46 1.852 18.093 1.818 366 2HB PRO 46 1HB PRO 46 0.728 19.447 1.653 367 1HG PRO 46 2HG PRO 46 2.178 17.920 -0.467 368 2HG PRO 46 1HG PRO 46 0.509 18.514 -0.458 369 1HD PRO 46 2HD PRO 46 2.624 19.775 -1.718 370 2HD PRO 46 1HD PRO 46 1.120 20.571 -1.219 371 H TRP 47 H TRP 47 4.009 18.657 -0.369 372 HA TRP 47 HA TRP 47 6.397 18.206 1.251 373 1HB TRP 47 2HB TRP 47 4.433 16.177 0.561 374 2HB TRP 47 1HB TRP 47 6.035 15.765 -0.044 375 HD1 TRP 47 HD TRP 47 7.883 15.113 1.724 376 HE1 TRP 47 1HE TRP 47 7.796 14.587 4.242 377 HE3 TRP 47 3HE TRP 47 3.191 16.860 2.757 378 HZ2 TRP 47 2HZ TRP 47 5.980 14.875 6.383 379 HZ3 TRP 47 3HZ TRP 47 2.353 16.698 5.065 380 HH2 TRP 47 HH TRP 47 3.721 15.725 6.839 381 H VAL 48 H VAL 48 5.366 16.680 -1.788 382 HA VAL 48 HA VAL 48 7.794 17.712 -3.024 383 HB VAL 48 HB VAL 48 7.283 15.290 -3.179 384 1HG1 VAL 48 1HG1 VAL 48 4.959 15.155 -3.447 385 2HG1 VAL 48 2HG1 VAL 48 5.623 14.664 -5.004 386 3HG1 VAL 48 3HG1 VAL 48 4.962 16.286 -4.802 387 1HG2 VAL 48 1HG2 VAL 48 8.638 16.722 -4.860 388 2HG2 VAL 48 2HG2 VAL 48 7.283 16.415 -5.948 389 3HG2 VAL 48 3HG2 VAL 48 8.207 15.066 -5.287 390 HA PRO 49 HA PRO 49 4.043 19.141 -5.990 391 1HB PRO 49 2HB PRO 49 2.611 20.412 -3.701 392 2HB PRO 49 1HB PRO 49 1.959 19.711 -5.187 393 1HG PRO 49 2HG PRO 49 1.785 18.390 -2.890 394 2HG PRO 49 1HG PRO 49 2.150 17.536 -4.402 395 1HD PRO 49 2HD PRO 49 3.970 18.282 -2.158 396 2HD PRO 49 1HD PRO 49 3.973 16.836 -3.181 397 H GLY 50 H GLY 50 5.259 20.689 -6.893 398 1HA GLY 50 2HA GLY 50 5.313 23.319 -5.732 399 2HA GLY 50 1HA GLY 50 6.887 22.539 -5.719 400 HA PRO 51 HA PRO 51 5.686 24.401 -9.994 401 1HB PRO 51 2HB PRO 51 6.732 26.898 -9.804 402 2HB PRO 51 1HB PRO 51 5.053 26.529 -9.397 403 1HG PRO 51 2HG PRO 51 7.412 26.861 -7.584 404 2HG PRO 51 1HG PRO 51 5.760 27.474 -7.393 405 1HD PRO 51 2HD PRO 51 6.652 25.266 -6.105 406 2HD PRO 51 1HD PRO 51 4.964 25.455 -6.620 407 H ASN 52 H ASN 52 8.527 25.026 -7.962 408 HA ASN 52 HA ASN 52 10.383 25.206 -10.094 409 1HB ASN 52 2HB ASN 52 10.573 25.876 -7.546 410 2HB ASN 52 1HB ASN 52 11.223 24.247 -7.388 411 1HD2 ASN 52 1HD2 ASN 52 13.002 23.698 -8.902 412 2HD2 ASN 52 2HD2 ASN 52 14.162 24.928 -9.256 413 H GLY 53 H GLY 53 9.629 23.347 -11.357 414 1HA GLY 53 2HA GLY 53 10.555 20.759 -10.296 415 2HA GLY 53 1HA GLY 53 9.412 20.965 -11.616 416 H TYR 54 H TYR 54 10.323 22.082 -13.588 417 HA TYR 54 HA TYR 54 11.783 22.103 -15.327 418 1HB TYR 54 2HB TYR 54 13.636 22.279 -12.981 419 2HB TYR 54 1HB TYR 54 14.305 22.057 -14.593 420 HD1 TYR 54 1HD TYR 54 14.717 23.919 -15.920 421 HD2 TYR 54 2HD TYR 54 11.958 24.251 -12.699 422 HE1 TYR 54 1HE TYR 54 14.545 26.338 -16.325 423 HE2 TYR 54 2HE TYR 54 11.778 26.673 -13.095 424 HH TYR 54 HH TYR 54 13.273 28.481 -14.154 425 H SER 55 H SER 55 13.784 20.105 -13.186 426 HA SER 55 HA SER 55 13.868 18.041 -15.226 427 1HB SER 55 2HB SER 55 15.341 18.415 -12.615 428 2HB SER 55 1HB SER 55 15.522 16.977 -13.619 429 HG SER 55 HG SER 55 16.006 19.641 -14.474 Start of MODEL 6 1 1H ALA 1 1H ALA 1 8.904 -35.217 -1.293 2 HA ALA 1 HA ALA 1 8.325 -37.922 -0.660 3 1HB ALA 1 1HB ALA 1 7.241 -35.921 1.301 4 2HB ALA 1 2HB ALA 1 8.130 -37.409 1.627 5 3HB ALA 1 3HB ALA 1 6.474 -37.484 1.025 6 H GLU 2 H GLU 2 5.890 -38.374 -0.927 7 HA GLU 2 HA GLU 2 5.023 -36.903 -3.270 8 1HB GLU 2 2HB GLU 2 4.310 -39.491 -1.984 9 2HB GLU 2 1HB GLU 2 3.085 -38.714 -2.976 10 1HG GLU 2 2HG GLU 2 5.283 -38.553 -4.577 11 2HG GLU 2 1HG GLU 2 5.541 -40.090 -3.750 12 H VAL 3 H VAL 3 4.037 -37.380 0.063 13 HA VAL 3 HA VAL 3 1.621 -35.790 -0.344 14 HB VAL 3 HB VAL 3 2.608 -37.054 2.216 15 1HG1 VAL 3 1HG1 VAL 3 -0.205 -36.271 1.513 16 2HG1 VAL 3 2HG1 VAL 3 0.917 -35.149 2.283 17 3HG1 VAL 3 3HG1 VAL 3 0.471 -36.648 3.098 18 1HG2 VAL 3 1HG2 VAL 3 2.281 -38.890 0.824 19 2HG2 VAL 3 2HG2 VAL 3 0.922 -38.139 -0.011 20 3HG2 VAL 3 3HG2 VAL 3 0.727 -38.721 1.642 21 H LYS 4 H LYS 4 4.102 -35.797 2.213 22 HA LYS 4 HA LYS 4 4.696 -34.038 3.611 23 1HB LYS 4 2HB LYS 4 6.110 -34.231 1.272 24 2HB LYS 4 1HB LYS 4 5.686 -32.525 1.300 25 1HG LYS 4 2HG LYS 4 6.827 -33.770 3.752 26 2HG LYS 4 1HG LYS 4 7.895 -33.380 2.403 27 1HD LYS 4 2HD LYS 4 8.004 -31.333 3.305 28 2HD LYS 4 1HD LYS 4 6.384 -31.102 2.647 29 1HE LYS 4 2HE LYS 4 6.472 -32.479 5.237 30 2HE LYS 4 1HE LYS 4 7.055 -30.815 5.269 31 1HZ LYS 4 1HZ LYS 4 4.373 -31.825 4.866 32 2HZ LYS 4 2HZ LYS 4 4.816 -30.565 3.828 33 3HZ LYS 4 3HZ LYS 4 4.890 -30.345 5.504 34 H GLN 5 H GLN 5 2.016 -33.674 3.053 35 HA GLN 5 HA GLN 5 0.522 -32.012 3.613 36 1HB GLN 5 2HB GLN 5 1.177 -29.912 4.124 37 2HB GLN 5 1HB GLN 5 2.792 -30.592 4.001 38 1HG GLN 5 2HG GLN 5 2.745 -29.853 1.565 39 2HG GLN 5 1HG GLN 5 1.314 -28.919 1.997 40 1HE2 GLN 5 1HE2 GLN 5 1.783 -26.875 2.306 41 2HE2 GLN 5 2HE2 GLN 5 3.210 -26.253 3.056 42 H GLU 6 H GLU 6 -1.165 -31.859 2.320 43 HA GLU 6 HA GLU 6 -0.745 -31.014 -0.465 44 1HB GLU 6 2HB GLU 6 -0.977 -33.485 -0.348 45 2HB GLU 6 1HB GLU 6 -2.555 -33.277 0.399 46 1HG GLU 6 2HG GLU 6 -3.125 -31.906 -1.706 47 2HG GLU 6 1HG GLU 6 -1.706 -32.687 -2.406 48 H SER 7 H SER 7 -3.507 -31.971 1.580 49 HA SER 7 HA SER 7 -5.217 -29.987 0.501 50 1HB SER 7 2HB SER 7 -5.926 -32.165 1.587 51 2HB SER 7 1HB SER 7 -5.591 -31.405 3.142 52 HG SER 7 HG SER 7 -7.561 -30.700 2.964 53 H LEU 8 H LEU 8 -3.383 -28.307 0.936 54 HA LEU 8 HA LEU 8 -4.339 -26.447 2.769 55 1HB LEU 8 2HB LEU 8 -2.328 -26.420 4.276 56 2HB LEU 8 1HB LEU 8 -3.493 -27.705 4.532 57 HG LEU 8 HG LEU 8 -1.214 -28.342 2.756 58 1HD1 LEU 8 1HD1 LEU 8 0.331 -27.607 4.190 59 2HD1 LEU 8 2HD1 LEU 8 -0.173 -28.947 5.219 60 3HD1 LEU 8 3HD1 LEU 8 -0.852 -27.339 5.469 61 1HD2 LEU 8 1HD2 LEU 8 -3.051 -29.695 4.632 62 2HD2 LEU 8 2HD2 LEU 8 -1.419 -30.354 4.514 63 3HD2 LEU 8 3HD2 LEU 8 -2.423 -30.226 3.072 64 H SER 9 H SER 9 -1.787 -27.595 0.688 65 HA SER 9 HA SER 9 -0.116 -25.374 0.627 66 1HB SER 9 2HB SER 9 0.572 -26.128 -1.592 67 2HB SER 9 1HB SER 9 0.362 -27.522 -0.532 68 HG SER 9 HG SER 9 -1.501 -26.571 -2.451 69 H GLY 10 H GLY 10 -3.279 -25.891 -0.714 70 1HA GLY 10 2HA GLY 10 -3.226 -23.564 -2.416 71 2HA GLY 10 1HA GLY 10 -4.628 -24.561 -2.046 72 H ILE 11 H ILE 11 -4.019 -24.263 0.902 73 HA ILE 11 HA ILE 11 -5.632 -21.924 1.308 74 HB ILE 11 HB ILE 11 -4.195 -23.543 3.410 75 1HG1 ILE 11 2HG1 ILE 11 -6.980 -23.948 2.294 76 2HG1 ILE 11 1HG1 ILE 11 -5.595 -24.981 1.954 77 1HG2 ILE 11 1HG2 ILE 11 -6.679 -21.844 3.579 78 2HG2 ILE 11 2HG2 ILE 11 -5.075 -21.362 4.130 79 3HG2 ILE 11 3HG2 ILE 11 -5.905 -22.708 4.908 80 1HD1 ILE 11 1HD1 ILE 11 -5.458 -25.410 4.430 81 2HD1 ILE 11 2HD1 ILE 11 -6.869 -26.074 3.605 82 3HD1 ILE 11 3HD1 ILE 11 -7.020 -24.603 4.566 83 H THR 12 H THR 12 -2.379 -22.842 2.446 84 HA THR 12 HA THR 12 -1.710 -20.270 3.393 85 HB THR 12 HB THR 12 0.716 -21.324 2.979 86 HG1 THR 12 1HG THR 12 0.599 -23.276 2.268 87 1HG2 THR 12 1HG2 THR 12 -0.335 -20.885 5.182 88 2HG2 THR 12 2HG2 THR 12 0.647 -22.348 5.128 89 3HG2 THR 12 3HG2 THR 12 -1.112 -22.465 5.073 90 H GLU 13 H GLU 13 -0.650 -21.982 0.445 91 HA GLU 13 HA GLU 13 0.724 -19.780 -0.653 92 1HB GLU 13 2HB GLU 13 0.831 -22.297 -1.274 93 2HB GLU 13 1HB GLU 13 -0.517 -21.930 -2.341 94 1HG GLU 13 2HG GLU 13 1.015 -20.040 -3.224 95 2HG GLU 13 1HG GLU 13 2.308 -20.972 -2.469 96 H GLY 14 H GLY 14 -2.632 -20.723 -0.718 97 1HA GLY 14 2HA GLY 14 -3.399 -19.098 -2.932 98 2HA GLY 14 1HA GLY 14 -4.479 -19.786 -1.730 99 H GLU 15 H GLU 15 -4.075 -18.671 0.541 100 HA GLU 15 HA GLU 15 -4.987 -16.021 0.280 101 1HB GLU 15 2HB GLU 15 -5.523 -17.418 2.222 102 2HB GLU 15 1HB GLU 15 -3.832 -17.422 2.700 103 1HG GLU 15 2HG GLU 15 -3.908 -15.035 3.095 104 2HG GLU 15 1HG GLU 15 -5.580 -14.977 2.538 105 H ALA 16 H ALA 16 -1.825 -17.373 1.105 106 HA ALA 16 HA ALA 16 -0.503 -14.979 1.702 107 1HB ALA 16 1HB ALA 16 1.568 -16.229 1.201 108 2HB ALA 16 2HB ALA 16 0.590 -17.533 0.528 109 3HB ALA 16 3HB ALA 16 0.463 -17.130 2.240 110 H LYS 17 H LYS 17 -1.152 -16.582 -1.356 111 HA LYS 17 HA LYS 17 0.517 -14.916 -2.945 112 1HB LYS 17 2HB LYS 17 -0.179 -17.131 -3.700 113 2HB LYS 17 1HB LYS 17 -1.860 -16.619 -3.711 114 1HG LYS 17 2HG LYS 17 -1.165 -16.558 -5.948 115 2HG LYS 17 1HG LYS 17 -1.173 -14.876 -5.416 116 1HD LYS 17 2HD LYS 17 0.849 -15.033 -6.535 117 2HD LYS 17 1HD LYS 17 1.324 -15.305 -4.858 118 1HE LYS 17 2HE LYS 17 0.914 -17.818 -5.474 119 2HE LYS 17 1HE LYS 17 1.145 -17.239 -7.123 120 1HZ LYS 17 1HZ LYS 17 3.082 -16.758 -4.928 121 2HZ LYS 17 2HZ LYS 17 3.307 -16.460 -6.577 122 3HZ LYS 17 3HZ LYS 17 3.198 -18.051 -6.013 123 H GLU 18 H GLU 18 -3.046 -15.106 -2.892 124 HA GLU 18 HA GLU 18 -3.536 -12.760 -4.281 125 1HB GLU 18 2HB GLU 18 -5.248 -14.462 -3.795 126 2HB GLU 18 1HB GLU 18 -5.231 -13.991 -2.102 127 1HG GLU 18 2HG GLU 18 -6.064 -11.793 -2.670 128 2HG GLU 18 1HG GLU 18 -6.004 -12.191 -4.386 129 H PHE 19 H PHE 19 -3.401 -13.223 -0.760 130 HA PHE 19 HA PHE 19 -3.923 -10.588 -0.017 131 1HB PHE 19 2HB PHE 19 -3.924 -12.553 1.519 132 2HB PHE 19 1HB PHE 19 -2.164 -12.555 1.456 133 HD1 PHE 19 1HD PHE 19 -5.008 -11.341 3.154 134 HD2 PHE 19 2HD PHE 19 -0.998 -10.340 2.141 135 HE1 PHE 19 1HE PHE 19 -4.947 -9.725 5.009 136 HE2 PHE 19 2HE PHE 19 -0.929 -8.723 3.994 137 HZ PHE 19 HZ PHE 19 -2.904 -8.414 5.431 138 H HIS 20 H HIS 20 -0.861 -12.171 -0.817 139 HA HIS 20 HA HIS 20 0.833 -10.064 -0.042 140 1HB HIS 20 2HB HIS 20 1.715 -12.285 -0.468 141 2HB HIS 20 1HB HIS 20 1.225 -12.192 -2.156 142 HD1 HIS 20 1HD HIS 20 3.762 -12.630 -2.749 143 HD2 HIS 20 2HD HIS 20 2.985 -9.037 -0.813 144 HE1 HIS 20 1HE HIS 20 5.827 -11.230 -3.075 145 HE2 HIS 20 2HE HIS 20 5.293 -9.024 -1.981 146 H LYS 21 H LYS 21 -0.283 -10.940 -3.318 147 HA LYS 21 HA LYS 21 0.758 -8.683 -4.603 148 1HB LYS 21 2HB LYS 21 -0.116 -10.824 -5.659 149 2HB LYS 21 1HB LYS 21 -1.729 -10.151 -5.466 150 1HG LYS 21 2HG LYS 21 0.274 -8.449 -6.819 151 2HG LYS 21 1HG LYS 21 -0.298 -9.872 -7.693 152 1HD LYS 21 2HD LYS 21 -2.637 -8.871 -6.767 153 2HD LYS 21 1HD LYS 21 -1.708 -7.386 -6.982 154 1HE LYS 21 2HE LYS 21 -2.215 -9.504 -9.069 155 2HE LYS 21 1HE LYS 21 -2.959 -7.907 -8.998 156 1HZ LYS 21 1HZ LYS 21 -0.033 -8.319 -9.235 157 2HZ LYS 21 2HZ LYS 21 -0.894 -6.879 -9.448 158 3HZ LYS 21 3HZ LYS 21 -1.051 -8.132 -10.573 159 H ILE 22 H ILE 22 -2.583 -9.294 -3.518 160 HA ILE 22 HA ILE 22 -3.652 -6.832 -4.232 161 HB ILE 22 HB ILE 22 -5.477 -7.322 -2.762 162 1HG1 ILE 22 2HG1 ILE 22 -5.170 -9.527 -1.339 163 2HG1 ILE 22 1HG1 ILE 22 -3.477 -9.048 -1.377 164 1HG2 ILE 22 1HG2 ILE 22 -4.318 -9.384 -4.467 165 2HG2 ILE 22 2HG2 ILE 22 -5.949 -8.714 -4.441 166 3HG2 ILE 22 3HG2 ILE 22 -5.501 -9.988 -3.307 167 1HD1 ILE 22 1HD1 ILE 22 -3.835 -7.632 0.277 168 2HD1 ILE 22 2HD1 ILE 22 -5.528 -8.125 0.324 169 3HD1 ILE 22 3HD1 ILE 22 -5.031 -6.774 -0.695 170 H PHE 23 H PHE 23 -2.025 -7.821 -1.255 171 HA PHE 23 HA PHE 23 -2.547 -5.487 0.228 172 1HB PHE 23 2HB PHE 23 -1.753 -7.531 1.296 173 2HB PHE 23 1HB PHE 23 -0.225 -7.417 0.429 174 HD1 PHE 23 1HD PHE 23 1.410 -5.694 1.023 175 HD2 PHE 23 2HD PHE 23 -2.196 -6.197 3.225 176 HE1 PHE 23 1HE PHE 23 2.354 -4.360 2.863 177 HE2 PHE 23 2HE PHE 23 -1.260 -4.864 5.069 178 HZ PHE 23 HZ PHE 23 1.017 -3.942 4.889 179 H THR 24 H THR 24 0.597 -6.424 -1.156 180 HA THR 24 HA THR 24 1.854 -3.997 -0.939 181 HB THR 24 HB THR 24 2.462 -6.466 -2.006 182 HG1 THR 24 1HG THR 24 3.879 -5.108 -0.897 183 1HG2 THR 24 1HG2 THR 24 3.510 -6.043 -4.167 184 2HG2 THR 24 2HG2 THR 24 2.775 -4.440 -4.209 185 3HG2 THR 24 3HG2 THR 24 1.756 -5.880 -4.245 186 H SER 25 H SER 25 -0.018 -5.173 -3.731 187 HA SER 25 HA SER 25 0.316 -3.023 -5.435 188 1HB SER 25 2HB SER 25 -0.815 -5.071 -6.127 189 2HB SER 25 1HB SER 25 -2.159 -4.720 -5.040 190 HG SER 25 HG SER 25 -2.971 -3.538 -6.560 191 H SER 26 H SER 26 -2.364 -3.497 -3.141 192 HA SER 26 HA SER 26 -3.591 -1.026 -3.515 193 1HB SER 26 2HB SER 26 -4.798 -2.731 -2.371 194 2HB SER 26 1HB SER 26 -3.544 -2.888 -1.140 195 HG SER 26 HG SER 26 -4.107 -0.868 -0.352 196 H ILE 27 H ILE 27 -1.011 -1.950 -1.267 197 HA ILE 27 HA ILE 27 -0.968 0.422 0.224 198 HB ILE 27 HB ILE 27 1.250 -1.537 -0.373 199 1HG1 ILE 27 2HG1 ILE 27 -0.534 -2.534 0.895 200 2HG1 ILE 27 1HG1 ILE 27 0.798 -2.218 2.000 201 1HG2 ILE 27 1HG2 ILE 27 1.257 0.989 1.178 202 2HG2 ILE 27 2HG2 ILE 27 2.561 0.196 0.292 203 3HG2 ILE 27 3HG2 ILE 27 2.088 -0.397 1.884 204 1HD1 ILE 27 1HD1 ILE 27 -0.448 -0.032 2.525 205 2HD1 ILE 27 2HD1 ILE 27 -1.069 -1.544 3.186 206 3HD1 ILE 27 3HD1 ILE 27 -1.831 -0.821 1.769 207 H LEU 28 H LEU 28 0.827 -0.479 -2.696 208 HA LEU 28 HA LEU 28 2.342 1.901 -2.830 209 1HB LEU 28 2HB LEU 28 1.590 0.171 -5.169 210 2HB LEU 28 1HB LEU 28 3.011 1.185 -4.993 211 HG LEU 28 HG LEU 28 2.723 -0.927 -2.956 212 1HD1 LEU 28 1HD1 LEU 28 1.939 -2.201 -4.818 213 2HD1 LEU 28 2HD1 LEU 28 3.615 -2.651 -4.509 214 3HD1 LEU 28 3HD1 LEU 28 3.223 -1.577 -5.852 215 1HD2 LEU 28 1HD2 LEU 28 5.186 -1.179 -3.853 216 2HD2 LEU 28 2HD2 LEU 28 4.730 0.142 -2.776 217 3HD2 LEU 28 3HD2 LEU 28 4.863 0.425 -4.511 218 H VAL 29 H VAL 29 -0.471 0.889 -4.751 219 HA VAL 29 HA VAL 29 -0.792 3.347 -6.039 220 HB VAL 29 HB VAL 29 -1.846 0.697 -6.103 221 1HG1 VAL 29 1HG1 VAL 29 -3.926 2.848 -6.105 222 2HG1 VAL 29 2HG1 VAL 29 -3.853 1.392 -5.109 223 3HG1 VAL 29 3HG1 VAL 29 -4.154 1.263 -6.841 224 1HG2 VAL 29 1HG2 VAL 29 -2.631 1.686 -8.398 225 2HG2 VAL 29 2HG2 VAL 29 -0.928 1.388 -8.044 226 3HG2 VAL 29 3HG2 VAL 29 -1.585 3.020 -7.910 227 H PHE 30 H PHE 30 -2.758 1.761 -3.502 228 HA PHE 30 HA PHE 30 -4.559 3.882 -3.149 229 1HB PHE 30 2HB PHE 30 -4.595 1.396 -2.311 230 2HB PHE 30 1HB PHE 30 -3.838 2.077 -0.874 231 HD1 PHE 30 1HD PHE 30 -5.046 4.063 0.240 232 HD2 PHE 30 2HD PHE 30 -6.900 1.422 -2.534 233 HE1 PHE 30 1HE PHE 30 -7.258 4.727 1.093 234 HE2 PHE 30 2HE PHE 30 -9.115 2.081 -1.688 235 HZ PHE 30 HZ PHE 30 -9.295 3.735 0.129 236 H PHE 31 H PHE 31 -1.472 3.216 -1.643 237 HA PHE 31 HA PHE 31 -1.737 5.547 0.093 238 1HB PHE 31 2HB PHE 31 -0.657 3.112 0.616 239 2HB PHE 31 1HB PHE 31 0.785 4.011 0.155 240 HD1 PHE 31 1HD PHE 31 1.933 5.085 1.822 241 HD2 PHE 31 2HD PHE 31 -2.249 4.444 2.286 242 HE1 PHE 31 1HE PHE 31 2.037 6.068 4.074 243 HE2 PHE 31 2HE PHE 31 -2.153 5.427 4.541 244 HZ PHE 31 HZ PHE 31 -0.008 6.241 5.437 245 H GLY 32 H GLY 32 -0.467 4.667 -2.913 246 1HA GLY 32 2HA GLY 32 1.676 6.609 -2.954 247 2HA GLY 32 1HA GLY 32 1.079 5.668 -4.325 248 H VAL 33 H VAL 33 -1.596 6.187 -3.997 249 HA VAL 33 HA VAL 33 -1.891 8.689 -5.326 250 HB VAL 33 HB VAL 33 -4.244 8.113 -5.363 251 1HG1 VAL 33 1HG1 VAL 33 -2.205 6.180 -6.217 252 2HG1 VAL 33 2HG1 VAL 33 -3.386 7.075 -7.174 253 3HG1 VAL 33 3HG1 VAL 33 -3.882 5.639 -6.278 254 1HG2 VAL 33 1HG2 VAL 33 -3.449 6.029 -3.411 255 2HG2 VAL 33 2HG2 VAL 33 -4.902 5.855 -4.391 256 3HG2 VAL 33 3HG2 VAL 33 -4.734 7.225 -3.292 257 H ALA 34 H ALA 34 -2.848 7.331 -2.196 258 HA ALA 34 HA ALA 34 -4.163 9.591 -1.183 259 1HB ALA 34 1HB ALA 34 -2.897 7.200 0.121 260 2HB ALA 34 2HB ALA 34 -4.611 7.559 -0.097 261 3HB ALA 34 3HB ALA 34 -3.655 8.484 1.062 262 H ALA 35 H ALA 35 -0.823 8.465 -1.002 263 HA ALA 35 HA ALA 35 0.161 10.407 0.774 264 1HB ALA 35 1HB ALA 35 1.556 8.881 -1.425 265 2HB ALA 35 2HB ALA 35 1.461 8.440 0.281 266 3HB ALA 35 3HB ALA 35 2.381 9.861 -0.213 267 H PHE 36 H PHE 36 0.331 10.280 -2.786 268 HA PHE 36 HA PHE 36 1.259 12.963 -3.031 269 1HB PHE 36 2HB PHE 36 0.132 10.955 -4.973 270 2HB PHE 36 1HB PHE 36 0.478 12.607 -5.473 271 HD1 PHE 36 1HD PHE 36 2.463 12.874 -6.571 272 HD2 PHE 36 2HD PHE 36 2.202 9.950 -3.491 273 HE1 PHE 36 1HE PHE 36 4.815 12.266 -6.955 274 HE2 PHE 36 2HE PHE 36 4.554 9.336 -3.869 275 HZ PHE 36 HZ PHE 36 5.864 10.494 -5.604 276 H ALA 37 H ALA 37 -1.839 11.435 -2.774 277 HA ALA 37 HA ALA 37 -3.529 13.359 -3.869 278 1HB ALA 37 1HB ALA 37 -5.140 12.430 -2.031 279 2HB ALA 37 2HB ALA 37 -3.833 11.285 -1.744 280 3HB ALA 37 3HB ALA 37 -4.588 11.376 -3.333 281 H HIS 38 H HIS 38 -2.685 12.954 -0.424 282 HA HIS 38 HA HIS 38 -3.810 15.453 0.334 283 1HB HIS 38 2HB HIS 38 -1.836 13.700 1.814 284 2HB HIS 38 1HB HIS 38 -2.756 15.027 2.517 285 HD1 HIS 38 1HD HIS 38 -3.062 11.483 1.414 286 HD2 HIS 38 2HD HIS 38 -5.480 14.476 2.982 287 HE1 HIS 38 1HE HIS 38 -5.178 10.330 2.133 288 HE2 HIS 38 2HE HIS 38 -6.654 12.172 3.016 289 H LEU 39 H LEU 39 -0.567 14.361 -0.492 290 HA LEU 39 HA LEU 39 0.797 16.702 0.318 291 1HB LEU 39 2HB LEU 39 1.411 14.339 -1.358 292 2HB LEU 39 1HB LEU 39 2.400 15.762 -1.623 293 HG LEU 39 HG LEU 39 2.988 15.770 0.784 294 1HD1 LEU 39 1HD1 LEU 39 1.866 13.016 1.025 295 2HD1 LEU 39 2HD1 LEU 39 0.826 14.411 1.314 296 3HD1 LEU 39 3HD1 LEU 39 2.280 14.180 2.286 297 1HD2 LEU 39 1HD2 LEU 39 4.462 14.703 -0.828 298 2HD2 LEU 39 2HD2 LEU 39 3.559 13.196 -0.681 299 3HD2 LEU 39 3HD2 LEU 39 4.469 13.816 0.696 300 H LEU 40 H LEU 40 -1.302 16.108 -2.291 301 HA LEU 40 HA LEU 40 -0.181 18.276 -3.903 302 1HB LEU 40 2HB LEU 40 -2.003 15.998 -4.406 303 2HB LEU 40 1HB LEU 40 -2.334 17.463 -5.308 304 HG LEU 40 HG LEU 40 -0.136 17.417 -6.308 305 1HD1 LEU 40 1HD1 LEU 40 0.748 16.176 -4.105 306 2HD1 LEU 40 2HD1 LEU 40 1.608 16.142 -5.643 307 3HD1 LEU 40 3HD1 LEU 40 0.583 14.786 -5.177 308 1HD2 LEU 40 1HD2 LEU 40 -1.182 14.608 -6.473 309 2HD2 LEU 40 2HD2 LEU 40 -0.419 15.576 -7.733 310 3HD2 LEU 40 3HD2 LEU 40 -2.045 15.973 -7.179 311 H VAL 41 H VAL 41 -3.294 17.304 -2.472 312 HA VAL 41 HA VAL 41 -4.579 19.774 -3.027 313 HB VAL 41 HB VAL 41 -6.288 18.969 -1.360 314 1HG1 VAL 41 1HG1 VAL 41 -7.213 17.373 -2.840 315 2HG1 VAL 41 2HG1 VAL 41 -5.623 16.903 -3.442 316 3HG1 VAL 41 3HG1 VAL 41 -6.283 18.490 -3.840 317 1HG2 VAL 41 1HG2 VAL 41 -5.869 17.277 0.023 318 2HG2 VAL 41 2HG2 VAL 41 -4.194 17.318 -0.526 319 3HG2 VAL 41 3HG2 VAL 41 -5.352 16.242 -1.308 320 H TRP 42 H TRP 42 -2.673 18.581 -0.346 321 HA TRP 42 HA TRP 42 -3.426 20.333 1.665 322 1HB TRP 42 2HB TRP 42 -1.898 18.469 2.058 323 2HB TRP 42 1HB TRP 42 -0.661 19.251 1.079 324 HD1 TRP 42 HD TRP 42 -2.676 21.318 3.576 325 HE1 TRP 42 1HE TRP 42 -1.113 22.081 5.473 326 HE3 TRP 42 3HE TRP 42 1.478 18.596 2.354 327 HZ2 TRP 42 2HZ TRP 42 1.528 21.595 6.338 328 HZ3 TRP 42 3HZ TRP 42 3.480 18.804 3.769 329 HH2 TRP 42 HH TRP 42 3.503 20.273 5.719 330 H ILE 43 H ILE 43 -1.565 20.934 -1.205 331 HA ILE 43 HA ILE 43 -0.205 23.255 -0.460 332 HB ILE 43 HB ILE 43 0.132 22.011 -2.603 333 1HG1 ILE 43 2HG1 ILE 43 0.635 24.006 -3.937 334 2HG1 ILE 43 1HG1 ILE 43 -0.405 24.975 -2.898 335 1HG2 ILE 43 1HG2 ILE 43 -1.969 23.577 -3.954 336 2HG2 ILE 43 2HG2 ILE 43 -2.523 22.223 -2.968 337 3HG2 ILE 43 3HG2 ILE 43 -1.376 21.949 -4.281 338 1HD1 ILE 43 1HD1 ILE 43 2.312 24.594 -2.621 339 2HD1 ILE 43 2HD1 ILE 43 1.607 23.554 -1.384 340 3HD1 ILE 43 3HD1 ILE 43 1.218 25.274 -1.418 341 H TRP 44 H TRP 44 -3.546 22.729 -1.330 342 HA TRP 44 HA TRP 44 -4.361 25.204 -0.214 343 1HB TRP 44 2HB TRP 44 -3.936 25.070 -3.149 344 2HB TRP 44 1HB TRP 44 -5.417 25.850 -2.600 345 HD1 TRP 44 HD TRP 44 -2.212 26.876 -3.671 346 HE1 TRP 44 1HE TRP 44 -1.428 29.063 -2.563 347 HE3 TRP 44 3HE TRP 44 -5.483 27.015 0.256 348 HZ2 TRP 44 2HZ TRP 44 -2.105 30.637 -0.320 349 HZ3 TRP 44 3HZ TRP 44 -5.348 28.895 1.837 350 HH2 TRP 44 HH TRP 44 -3.693 30.668 1.554 351 H ARG 45 H ARG 45 -5.207 22.663 -2.541 352 HA ARG 45 HA ARG 45 -7.987 22.797 -2.255 353 1HB ARG 45 2HB ARG 45 -6.065 21.024 -3.471 354 2HB ARG 45 1HB ARG 45 -7.334 20.091 -2.688 355 1HG ARG 45 2HG ARG 45 -8.961 20.859 -4.094 356 2HG ARG 45 1HG ARG 45 -8.121 22.378 -4.415 357 1HD ARG 45 2HD ARG 45 -6.370 20.591 -5.456 358 2HD ARG 45 1HD ARG 45 -7.900 19.767 -5.753 359 HE ARG 45 HE ARG 45 -8.389 21.334 -7.345 360 1HH1 ARG 45 1HH1 ARG 45 -5.791 22.537 -5.349 361 2HH1 ARG 45 2HH1 ARG 45 -5.498 23.921 -6.349 362 1HH2 ARG 45 1HH2 ARG 45 -8.004 23.153 -8.661 363 2HH2 ARG 45 2HH2 ARG 45 -6.752 24.270 -8.229 364 HA PRO 46 HA PRO 46 -9.232 20.819 1.477 365 1HB PRO 46 2HB PRO 46 -10.203 18.395 0.061 366 2HB PRO 46 1HB PRO 46 -11.075 19.502 1.127 367 1HG PRO 46 2HG PRO 46 -11.480 19.545 -1.507 368 2HG PRO 46 1HG PRO 46 -11.449 21.046 -0.563 369 1HD PRO 46 2HD PRO 46 -9.344 19.876 -2.337 370 2HD PRO 46 1HD PRO 46 -9.828 21.572 -2.127 371 H TRP 47 H TRP 47 -9.450 18.112 2.193 372 HA TRP 47 HA TRP 47 -6.857 16.884 1.720 373 1HB TRP 47 2HB TRP 47 -6.332 16.713 4.118 374 2HB TRP 47 1HB TRP 47 -6.406 18.392 3.593 375 HD1 TRP 47 HD TRP 47 -9.176 19.369 3.971 376 HE1 TRP 47 1HE TRP 47 -10.454 19.269 6.202 377 HE3 TRP 47 3HE TRP 47 -6.513 15.658 6.269 378 HZ2 TRP 47 2HZ TRP 47 -10.348 17.811 8.617 379 HZ3 TRP 47 3HZ TRP 47 -7.166 14.970 8.539 380 HH2 TRP 47 HH TRP 47 -9.044 16.025 9.687 381 H VAL 48 H VAL 48 -9.426 16.059 0.965 382 HA VAL 48 HA VAL 48 -9.954 13.807 2.786 383 HB VAL 48 HB VAL 48 -11.888 15.271 2.442 384 1HG1 VAL 48 1HG1 VAL 48 -12.943 15.486 0.265 385 2HG1 VAL 48 2HG1 VAL 48 -11.666 14.516 -0.470 386 3HG1 VAL 48 3HG1 VAL 48 -11.290 16.098 0.211 387 1HG2 VAL 48 1HG2 VAL 48 -12.443 13.020 2.893 388 2HG2 VAL 48 2HG2 VAL 48 -12.047 12.513 1.251 389 3HG2 VAL 48 3HG2 VAL 48 -13.472 13.509 1.547 390 HA PRO 49 HA PRO 49 -8.319 11.147 -0.380 391 1HB PRO 49 2HB PRO 49 -9.245 8.779 0.545 392 2HB PRO 49 1HB PRO 49 -7.911 9.644 1.316 393 1HG PRO 49 2HG PRO 49 -10.802 9.545 2.088 394 2HG PRO 49 1HG PRO 49 -9.364 9.441 3.121 395 1HD PRO 49 2HD PRO 49 -10.802 11.724 2.830 396 2HD PRO 49 1HD PRO 49 -9.054 11.722 3.133 397 H GLY 50 H GLY 50 -9.414 11.662 -2.253 398 1HA GLY 50 2HA GLY 50 -11.315 9.810 -3.215 399 2HA GLY 50 1HA GLY 50 -12.137 11.292 -2.751 400 HA PRO 51 HA PRO 51 -10.724 11.428 -7.281 401 1HB PRO 51 2HB PRO 51 -13.357 12.828 -7.318 402 2HB PRO 51 1HB PRO 51 -12.665 11.699 -8.489 403 1HG PRO 51 2HG PRO 51 -14.576 10.910 -6.813 404 2HG PRO 51 1HG PRO 51 -13.226 9.836 -7.224 405 1HD PRO 51 2HD PRO 51 -13.718 11.394 -4.728 406 2HD PRO 51 1HD PRO 51 -12.969 9.798 -4.936 407 H ASN 52 H ASN 52 -12.251 13.799 -5.138 408 HA ASN 52 HA ASN 52 -10.172 15.675 -5.392 409 1HB ASN 52 2HB ASN 52 -11.460 15.778 -7.676 410 2HB ASN 52 1HB ASN 52 -12.637 16.706 -6.749 411 1HD2 ASN 52 1HD2 ASN 52 -12.210 18.547 -7.977 412 2HD2 ASN 52 2HD2 ASN 52 -10.769 19.475 -7.756 413 H GLY 53 H GLY 53 -13.729 15.647 -5.078 414 1HA GLY 53 2HA GLY 53 -14.414 15.789 -2.625 415 2HA GLY 53 1HA GLY 53 -13.421 17.238 -2.613 416 H TYR 54 H TYR 54 -14.342 19.124 -3.120 417 HA TYR 54 HA TYR 54 -16.048 20.609 -3.441 418 1HB TYR 54 2HB TYR 54 -16.962 20.598 -5.708 419 2HB TYR 54 1HB TYR 54 -15.236 20.258 -5.732 420 HD1 TYR 54 1HD TYR 54 -18.582 18.888 -6.309 421 HD2 TYR 54 2HD TYR 54 -14.408 18.063 -6.370 422 HE1 TYR 54 1HE TYR 54 -19.010 16.849 -7.613 423 HE2 TYR 54 2HE TYR 54 -14.825 16.022 -7.676 424 HH TYR 54 HH TYR 54 -16.809 14.412 -7.994 425 H SER 55 H SER 55 -16.777 18.242 -1.901 426 HA SER 55 HA SER 55 -19.653 18.547 -2.087 427 1HB SER 55 2HB SER 55 -18.232 16.013 -2.759 428 2HB SER 55 1HB SER 55 -19.730 15.896 -1.837 429 HG SER 55 HG SER 55 -20.482 15.928 -3.841 Start of MODEL 7 1 1H ALA 1 1H ALA 1 -2.071 -38.193 7.557 2 HA ALA 1 HA ALA 1 -3.153 -38.021 4.939 3 1HB ALA 1 1HB ALA 1 -1.556 -39.959 4.607 4 2HB ALA 1 2HB ALA 1 -3.236 -40.241 4.153 5 3HB ALA 1 3HB ALA 1 -2.613 -40.886 5.671 6 H GLU 2 H GLU 2 -4.596 -37.029 6.540 7 HA GLU 2 HA GLU 2 -6.523 -39.003 7.546 8 1HB GLU 2 2HB GLU 2 -5.126 -36.862 9.057 9 2HB GLU 2 1HB GLU 2 -6.835 -37.092 9.403 10 1HG GLU 2 2HG GLU 2 -5.250 -39.558 9.334 11 2HG GLU 2 1HG GLU 2 -4.818 -38.427 10.615 12 H VAL 3 H VAL 3 -6.194 -35.453 7.392 13 HA VAL 3 HA VAL 3 -8.350 -35.238 5.497 14 HB VAL 3 HB VAL 3 -9.685 -33.704 7.023 15 1HG1 VAL 3 1HG1 VAL 3 -9.781 -36.491 8.079 16 2HG1 VAL 3 2HG1 VAL 3 -10.112 -36.203 6.371 17 3HG1 VAL 3 3HG1 VAL 3 -11.099 -35.419 7.606 18 1HG2 VAL 3 1HG2 VAL 3 -8.124 -33.356 8.798 19 2HG2 VAL 3 2HG2 VAL 3 -7.985 -35.090 9.089 20 3HG2 VAL 3 3HG2 VAL 3 -9.493 -34.252 9.456 21 H LYS 4 H LYS 4 -6.334 -33.537 7.872 22 HA LYS 4 HA LYS 4 -6.480 -31.007 6.627 23 1HB LYS 4 2HB LYS 4 -5.544 -31.871 9.005 24 2HB LYS 4 1HB LYS 4 -4.026 -31.691 8.138 25 1HG LYS 4 2HG LYS 4 -4.150 -29.442 8.113 26 2HG LYS 4 1HG LYS 4 -5.905 -29.433 7.917 27 1HD LYS 4 2HD LYS 4 -4.761 -30.363 10.505 28 2HD LYS 4 1HD LYS 4 -4.771 -28.633 10.160 29 1HE LYS 4 2HE LYS 4 -7.281 -30.119 9.651 30 2HE LYS 4 1HE LYS 4 -6.814 -29.898 11.338 31 1HZ LYS 4 1HZ LYS 4 -6.472 -27.445 10.538 32 2HZ LYS 4 2HZ LYS 4 -8.006 -28.006 10.975 33 3HZ LYS 4 3HZ LYS 4 -7.581 -27.895 9.341 34 H GLN 5 H GLN 5 -4.242 -29.947 6.020 35 HA GLN 5 HA GLN 5 -3.013 -29.652 4.077 36 1HB GLN 5 2HB GLN 5 -1.475 -30.395 5.869 37 2HB GLN 5 1HB GLN 5 -1.662 -32.052 5.313 38 1HG GLN 5 2HG GLN 5 -0.238 -31.773 3.614 39 2HG GLN 5 1HG GLN 5 -0.866 -30.173 3.220 40 1HE2 GLN 5 1HE2 GLN 5 -0.415 -28.686 5.356 41 2HE2 GLN 5 2HE2 GLN 5 1.268 -28.613 5.743 42 H GLU 6 H GLU 6 -5.300 -31.160 3.413 43 HA GLU 6 HA GLU 6 -4.214 -32.732 1.189 44 1HB GLU 6 2HB GLU 6 -6.195 -33.634 3.242 45 2HB GLU 6 1HB GLU 6 -6.329 -34.236 1.596 46 1HG GLU 6 2HG GLU 6 -3.834 -34.840 1.861 47 2HG GLU 6 1HG GLU 6 -4.143 -34.663 3.587 48 H SER 7 H SER 7 -5.667 -30.045 1.807 49 HA SER 7 HA SER 7 -6.999 -29.827 -0.655 50 1HB SER 7 2HB SER 7 -8.609 -31.179 1.019 51 2HB SER 7 1HB SER 7 -9.041 -29.534 1.484 52 HG SER 7 HG SER 7 -8.983 -30.387 -1.213 53 H LEU 8 H LEU 8 -6.763 -28.647 2.663 54 HA LEU 8 HA LEU 8 -7.538 -25.993 2.164 55 1HB LEU 8 2HB LEU 8 -6.085 -25.542 4.257 56 2HB LEU 8 1HB LEU 8 -7.550 -26.494 4.400 57 HG LEU 8 HG LEU 8 -5.103 -28.057 3.895 58 1HD1 LEU 8 1HD1 LEU 8 -4.514 -26.101 5.504 59 2HD1 LEU 8 2HD1 LEU 8 -4.045 -27.749 5.920 60 3HD1 LEU 8 3HD1 LEU 8 -5.463 -27.021 6.672 61 1HD2 LEU 8 1HD2 LEU 8 -6.234 -29.668 5.001 62 2HD2 LEU 8 2HD2 LEU 8 -7.623 -28.652 4.616 63 3HD2 LEU 8 3HD2 LEU 8 -6.867 -28.548 6.206 64 H SER 9 H SER 9 -4.740 -27.631 1.167 65 HA SER 9 HA SER 9 -2.781 -25.650 1.345 66 1HB SER 9 2HB SER 9 -1.907 -26.804 -0.823 67 2HB SER 9 1HB SER 9 -1.982 -27.743 0.668 68 HG SER 9 HG SER 9 -3.671 -28.851 -0.090 69 H GLY 10 H GLY 10 -5.600 -25.855 -0.625 70 1HA GLY 10 2HA GLY 10 -4.718 -24.044 -2.671 71 2HA GLY 10 1HA GLY 10 -6.365 -24.595 -2.400 72 H ILE 11 H ILE 11 -6.526 -23.771 0.353 73 HA ILE 11 HA ILE 11 -7.146 -20.997 -0.087 74 HB ILE 11 HB ILE 11 -7.895 -21.072 2.299 75 1HG1 ILE 11 2HG1 ILE 11 -7.415 -24.038 2.096 76 2HG1 ILE 11 1HG1 ILE 11 -6.301 -22.945 2.910 77 1HG2 ILE 11 1HG2 ILE 11 -8.983 -22.974 0.260 78 2HG2 ILE 11 2HG2 ILE 11 -9.580 -21.378 0.714 79 3HG2 ILE 11 3HG2 ILE 11 -9.775 -22.739 1.818 80 1HD1 ILE 11 1HD1 ILE 11 -9.057 -22.643 3.795 81 2HD1 ILE 11 2HD1 ILE 11 -7.575 -22.844 4.731 82 3HD1 ILE 11 3HD1 ILE 11 -8.399 -24.257 4.071 83 H THR 12 H THR 12 -4.720 -22.879 1.595 84 HA THR 12 HA THR 12 -3.590 -20.766 3.106 85 HB THR 12 HB THR 12 -1.905 -23.040 2.155 86 HG1 THR 12 1HG THR 12 -3.627 -24.245 2.588 87 1HG2 THR 12 1HG2 THR 12 -0.974 -21.525 3.803 88 2HG2 THR 12 2HG2 THR 12 -1.218 -23.131 4.490 89 3HG2 THR 12 3HG2 THR 12 -2.342 -21.828 4.872 90 H GLU 13 H GLU 13 -2.447 -22.347 0.117 91 HA GLU 13 HA GLU 13 -0.452 -20.379 -0.382 92 1HB GLU 13 2HB GLU 13 -0.823 -22.884 -1.278 93 2HB GLU 13 1HB GLU 13 -1.501 -21.999 -2.638 94 1HG GLU 13 2HG GLU 13 0.519 -20.992 -3.157 95 2HG GLU 13 1HG GLU 13 1.189 -21.282 -1.552 96 H GLY 14 H GLY 14 -3.797 -20.764 -1.292 97 1HA GLY 14 2HA GLY 14 -3.815 -18.854 -3.404 98 2HA GLY 14 1HA GLY 14 -5.223 -19.458 -2.542 99 H GLU 15 H GLU 15 -4.887 -18.654 -0.017 100 HA GLU 15 HA GLU 15 -5.552 -15.918 -0.101 101 1HB GLU 15 2HB GLU 15 -5.716 -16.021 2.279 102 2HB GLU 15 1HB GLU 15 -6.282 -17.566 1.661 103 1HG GLU 15 2HG GLU 15 -3.872 -18.368 2.083 104 2HG GLU 15 1HG GLU 15 -3.737 -16.931 3.095 105 H ALA 16 H ALA 16 -2.590 -17.652 0.639 106 HA ALA 16 HA ALA 16 -1.061 -15.522 1.632 107 1HB ALA 16 1HB ALA 16 -0.476 -17.980 1.660 108 2HB ALA 16 2HB ALA 16 0.842 -16.889 1.232 109 3HB ALA 16 3HB ALA 16 0.007 -17.800 -0.026 110 H LYS 17 H LYS 17 -1.472 -16.768 -1.657 111 HA LYS 17 HA LYS 17 0.240 -14.997 -2.983 112 1HB LYS 17 2HB LYS 17 -1.047 -17.123 -3.810 113 2HB LYS 17 1HB LYS 17 -2.302 -15.969 -4.242 114 1HG LYS 17 2HG LYS 17 -1.180 -15.980 -6.202 115 2HG LYS 17 1HG LYS 17 -0.222 -14.749 -5.377 116 1HD LYS 17 2HD LYS 17 1.515 -16.249 -4.913 117 2HD LYS 17 1HD LYS 17 0.498 -17.658 -5.217 118 1HE LYS 17 2HE LYS 17 2.071 -17.323 -7.042 119 2HE LYS 17 1HE LYS 17 0.413 -17.082 -7.593 120 1HZ LYS 17 1HZ LYS 17 0.708 -14.796 -7.726 121 2HZ LYS 17 2HZ LYS 17 2.175 -15.402 -8.311 122 3HZ LYS 17 3HZ LYS 17 2.079 -14.801 -6.733 123 H GLU 18 H GLU 18 -3.277 -14.820 -2.472 124 HA GLU 18 HA GLU 18 -3.728 -12.359 -3.695 125 1HB GLU 18 2HB GLU 18 -5.134 -13.979 -1.634 126 2HB GLU 18 1HB GLU 18 -5.613 -12.295 -1.799 127 1HG GLU 18 2HG GLU 18 -5.578 -13.124 -4.395 128 2HG GLU 18 1HG GLU 18 -6.112 -14.577 -3.551 129 H PHE 19 H PHE 19 -2.811 -13.117 -0.370 130 HA PHE 19 HA PHE 19 -2.968 -10.567 0.725 131 1HB PHE 19 2HB PHE 19 -1.686 -13.108 1.423 132 2HB PHE 19 1HB PHE 19 -0.832 -11.700 2.042 133 HD1 PHE 19 1HD PHE 19 -2.402 -9.898 3.180 134 HD2 PHE 19 2HD PHE 19 -3.349 -14.020 2.711 135 HE1 PHE 19 1HE PHE 19 -4.009 -9.735 5.035 136 HE2 PHE 19 2HE PHE 19 -4.959 -13.866 4.566 137 HZ PHE 19 HZ PHE 19 -5.290 -11.720 5.730 138 H HIS 20 H HIS 20 -0.359 -12.144 -1.057 139 HA HIS 20 HA HIS 20 1.578 -10.125 -0.686 140 1HB HIS 20 2HB HIS 20 1.224 -12.434 -2.522 141 2HB HIS 20 1HB HIS 20 2.343 -11.176 -3.038 142 HD1 HIS 20 1HD HIS 20 1.941 -13.942 -0.596 143 HD2 HIS 20 2HD HIS 20 4.653 -10.902 -1.416 144 HE1 HIS 20 1HE HIS 20 4.009 -14.514 0.715 145 HE2 HIS 20 2HE HIS 20 5.605 -12.616 0.270 146 H LYS 21 H LYS 21 -0.512 -10.811 -3.496 147 HA LYS 21 HA LYS 21 0.166 -8.557 -4.992 148 1HB LYS 21 2HB LYS 21 -2.395 -10.156 -4.905 149 2HB LYS 21 1HB LYS 21 -2.075 -8.903 -6.096 150 1HG LYS 21 2HG LYS 21 -0.257 -11.260 -5.713 151 2HG LYS 21 1HG LYS 21 -1.643 -11.293 -6.805 152 1HD LYS 21 2HD LYS 21 -0.728 -9.409 -8.048 153 2HD LYS 21 1HD LYS 21 0.638 -9.320 -6.933 154 1HE LYS 21 2HE LYS 21 0.182 -11.952 -8.172 155 2HE LYS 21 1HE LYS 21 0.666 -10.669 -9.280 156 1HZ LYS 21 1HZ LYS 21 2.469 -10.232 -7.490 157 2HZ LYS 21 2HZ LYS 21 2.678 -11.496 -8.594 158 3HZ LYS 21 3HZ LYS 21 2.149 -11.827 -7.022 159 H ILE 22 H ILE 22 -2.726 -9.010 -2.955 160 HA ILE 22 HA ILE 22 -3.767 -6.467 -3.132 161 HB ILE 22 HB ILE 22 -5.027 -6.928 -1.180 162 1HG1 ILE 22 2HG1 ILE 22 -3.009 -9.066 -0.496 163 2HG1 ILE 22 1HG1 ILE 22 -3.187 -7.523 0.328 164 1HG2 ILE 22 1HG2 ILE 22 -5.148 -9.667 -1.666 165 2HG2 ILE 22 2HG2 ILE 22 -4.652 -8.932 -3.190 166 3HG2 ILE 22 3HG2 ILE 22 -6.133 -8.401 -2.396 167 1HD1 ILE 22 1HD1 ILE 22 -4.220 -9.272 1.615 168 2HD1 ILE 22 2HD1 ILE 22 -5.215 -9.741 0.236 169 3HD1 ILE 22 3HD1 ILE 22 -5.457 -8.173 1.005 170 H PHE 23 H PHE 23 -1.175 -7.673 -1.099 171 HA PHE 23 HA PHE 23 -0.951 -5.475 0.640 172 1HB PHE 23 2HB PHE 23 0.176 -7.595 1.094 173 2HB PHE 23 1HB PHE 23 1.189 -7.384 -0.330 174 HD1 PHE 23 1HD PHE 23 0.349 -5.807 2.928 175 HD2 PHE 23 2HD PHE 23 3.243 -6.326 -0.149 176 HE1 PHE 23 1HE PHE 23 2.013 -4.622 4.299 177 HE2 PHE 23 2HE PHE 23 4.913 -5.143 1.217 178 HZ PHE 23 HZ PHE 23 4.299 -4.289 3.444 179 H THR 24 H THR 24 1.035 -6.254 -2.220 180 HA THR 24 HA THR 24 2.427 -3.864 -2.359 181 HB THR 24 HB THR 24 2.295 -6.203 -3.835 182 HG1 THR 24 1HG THR 24 4.156 -5.019 -3.403 183 1HG2 THR 24 1HG2 THR 24 2.242 -5.493 -6.180 184 2HG2 THR 24 2HG2 THR 24 1.635 -3.916 -5.674 185 3HG2 THR 24 3HG2 THR 24 0.668 -5.364 -5.398 186 H SER 25 H SER 25 -0.596 -4.759 -4.015 187 HA SER 25 HA SER 25 -1.053 -2.391 -5.382 188 1HB SER 25 2HB SER 25 -3.053 -4.296 -4.142 189 2HB SER 25 1HB SER 25 -3.470 -3.026 -5.293 190 HG SER 25 HG SER 25 -1.832 -4.105 -6.684 191 H SER 26 H SER 26 -1.995 -3.289 -2.085 192 HA SER 26 HA SER 26 -3.428 -0.990 -1.426 193 1HB SER 26 2HB SER 26 -3.314 -1.706 0.799 194 2HB SER 26 1HB SER 26 -3.106 -3.208 -0.103 195 HG SER 26 HG SER 26 -1.022 -3.272 0.443 196 H ILE 27 H ILE 27 0.030 -1.642 -1.361 197 HA ILE 27 HA ILE 27 0.823 0.691 0.016 198 HB ILE 27 HB ILE 27 2.387 -0.905 -2.020 199 1HG1 ILE 27 2HG1 ILE 27 2.703 -1.148 0.949 200 2HG1 ILE 27 1HG1 ILE 27 1.397 -2.013 0.146 201 1HG2 ILE 27 1HG2 ILE 27 4.364 0.015 -0.842 202 2HG2 ILE 27 2HG2 ILE 27 3.286 1.056 0.087 203 3HG2 ILE 27 3HG2 ILE 27 3.406 1.248 -1.662 204 1HD1 ILE 27 1HD1 ILE 27 4.142 -2.713 0.364 205 2HD1 ILE 27 2HD1 ILE 27 3.739 -2.499 -1.339 206 3HD1 ILE 27 3HD1 ILE 27 2.815 -3.629 -0.349 207 H LEU 28 H LEU 28 0.666 -0.043 -3.467 208 HA LEU 28 HA LEU 28 1.527 2.460 -4.397 209 1HB LEU 28 2HB LEU 28 -0.258 0.362 -5.613 210 2HB LEU 28 1HB LEU 28 0.203 1.813 -6.477 211 HG LEU 28 HG LEU 28 1.505 -0.513 -6.694 212 1HD1 LEU 28 1HD1 LEU 28 3.233 1.893 -6.748 213 2HD1 LEU 28 2HD1 LEU 28 1.783 1.899 -7.750 214 3HD1 LEU 28 3HD1 LEU 28 2.995 0.637 -7.963 215 1HD2 LEU 28 1HD2 LEU 28 3.650 -0.320 -5.454 216 2HD2 LEU 28 2HD2 LEU 28 2.261 -0.665 -4.425 217 3HD2 LEU 28 3HD2 LEU 28 2.927 0.965 -4.487 218 H VAL 29 H VAL 29 -1.739 1.182 -3.936 219 HA VAL 29 HA VAL 29 -3.125 3.494 -4.623 220 HB VAL 29 HB VAL 29 -3.637 0.826 -3.808 221 1HG1 VAL 29 1HG1 VAL 29 -5.258 2.818 -2.257 222 2HG1 VAL 29 2HG1 VAL 29 -4.110 1.653 -1.595 223 3HG1 VAL 29 3HG1 VAL 29 -5.582 1.088 -2.385 224 1HG2 VAL 29 1HG2 VAL 29 -5.961 1.499 -4.666 225 2HG2 VAL 29 2HG2 VAL 29 -4.581 1.548 -5.764 226 3HG2 VAL 29 3HG2 VAL 29 -5.190 3.039 -5.046 227 H PHE 30 H PHE 30 -1.639 2.375 -1.654 228 HA PHE 30 HA PHE 30 -2.963 4.063 0.170 229 1HB PHE 30 2HB PHE 30 -0.538 2.404 0.162 230 2HB PHE 30 1HB PHE 30 -0.415 3.821 1.199 231 HD1 PHE 30 1HD PHE 30 -3.486 1.877 0.494 232 HD2 PHE 30 2HD PHE 30 -0.437 2.811 3.312 233 HE1 PHE 30 1HE PHE 30 -4.753 0.704 2.246 234 HE2 PHE 30 2HE PHE 30 -1.698 1.639 5.070 235 HZ PHE 30 HZ PHE 30 -3.859 0.583 4.538 236 H PHE 31 H PHE 31 0.404 4.454 -0.901 237 HA PHE 31 HA PHE 31 0.526 7.205 -0.328 238 1HB PHE 31 2HB PHE 31 2.204 5.249 -1.802 239 2HB PHE 31 1HB PHE 31 2.453 6.948 -2.190 240 HD1 PHE 31 1HD PHE 31 3.917 8.189 -0.915 241 HD2 PHE 31 2HD PHE 31 2.211 4.659 0.738 242 HE1 PHE 31 1HE PHE 31 5.346 8.435 1.073 243 HE2 PHE 31 2HE PHE 31 3.636 4.898 2.730 244 HZ PHE 31 HZ PHE 31 5.206 6.788 2.899 245 H GLY 32 H GLY 32 -0.615 5.390 -3.049 246 1HA GLY 32 2HA GLY 32 -0.539 7.325 -5.068 247 2HA GLY 32 1HA GLY 32 -1.690 5.997 -4.974 248 H VAL 33 H VAL 33 -3.158 6.513 -2.797 249 HA VAL 33 HA VAL 33 -4.893 8.537 -3.635 250 HB VAL 33 HB VAL 33 -4.932 6.319 -1.951 251 1HG1 VAL 33 1HG1 VAL 33 -4.319 7.578 -0.015 252 2HG1 VAL 33 2HG1 VAL 33 -6.029 7.169 0.088 253 3HG1 VAL 33 3HG1 VAL 33 -5.540 8.801 -0.368 254 1HG2 VAL 33 1HG2 VAL 33 -6.965 8.394 -2.602 255 2HG2 VAL 33 2HG2 VAL 33 -7.330 6.844 -1.839 256 3HG2 VAL 33 3HG2 VAL 33 -6.629 6.890 -3.459 257 H ALA 34 H ALA 34 -2.711 8.220 -0.884 258 HA ALA 34 HA ALA 34 -3.173 10.666 0.347 259 1HB ALA 34 1HB ALA 34 -0.665 10.359 1.043 260 2HB ALA 34 2HB ALA 34 -0.851 8.786 0.268 261 3HB ALA 34 3HB ALA 34 -1.890 9.230 1.622 262 H ALA 35 H ALA 35 -1.212 9.810 -2.420 263 HA ALA 35 HA ALA 35 0.239 12.219 -2.668 264 1HB ALA 35 1HB ALA 35 1.216 10.635 -3.966 265 2HB ALA 35 2HB ALA 35 0.181 11.354 -5.200 266 3HB ALA 35 3HB ALA 35 -0.319 9.873 -4.385 267 H PHE 36 H PHE 36 -2.362 11.074 -4.832 268 HA PHE 36 HA PHE 36 -2.937 13.598 -5.906 269 1HB PHE 36 2HB PHE 36 -4.341 10.972 -5.807 270 2HB PHE 36 1HB PHE 36 -5.296 12.383 -6.250 271 HD1 PHE 36 1HD PHE 36 -3.137 9.849 -7.424 272 HD2 PHE 36 2HD PHE 36 -4.325 13.872 -8.136 273 HE1 PHE 36 1HE PHE 36 -2.299 9.683 -9.731 274 HE2 PHE 36 2HE PHE 36 -3.491 13.714 -10.445 275 HZ PHE 36 HZ PHE 36 -2.477 11.617 -11.246 276 H ALA 37 H ALA 37 -3.911 12.049 -2.983 277 HA ALA 37 HA ALA 37 -6.195 13.482 -2.282 278 1HB ALA 37 1HB ALA 37 -5.725 11.602 -0.974 279 2HB ALA 37 2HB ALA 37 -5.385 12.952 0.108 280 3HB ALA 37 3HB ALA 37 -4.059 12.104 -0.685 281 H HIS 38 H HIS 38 -2.793 14.110 -1.431 282 HA HIS 38 HA HIS 38 -3.354 16.586 -0.142 283 1HB HIS 38 2HB HIS 38 -0.689 15.749 -1.282 284 2HB HIS 38 1HB HIS 38 -0.993 16.836 0.068 285 HD1 HIS 38 1HD HIS 38 -3.159 14.717 1.305 286 HD2 HIS 38 2HD HIS 38 0.841 14.069 0.385 287 HE1 HIS 38 1HE HIS 38 -2.447 12.772 2.732 288 HE2 HIS 38 2HE HIS 38 -0.043 12.352 2.105 289 H LEU 39 H LEU 39 -2.408 15.645 -3.394 290 HA LEU 39 HA LEU 39 -1.864 18.274 -4.330 291 1HB LEU 39 2HB LEU 39 -1.543 15.729 -5.324 292 2HB LEU 39 1HB LEU 39 -2.826 16.368 -6.334 293 HG LEU 39 HG LEU 39 -1.358 18.318 -6.868 294 1HD1 LEU 39 1HD1 LEU 39 0.552 16.745 -5.178 295 2HD1 LEU 39 2HD1 LEU 39 0.162 18.463 -5.110 296 3HD1 LEU 39 3HD1 LEU 39 1.127 17.831 -6.444 297 1HD2 LEU 39 1HD2 LEU 39 -1.412 16.740 -8.559 298 2HD2 LEU 39 2HD2 LEU 39 -0.627 15.506 -7.573 299 3HD2 LEU 39 3HD2 LEU 39 0.312 16.855 -8.209 300 H LEU 40 H LEU 40 -4.767 16.408 -3.933 301 HA LEU 40 HA LEU 40 -6.314 18.405 -5.423 302 1HB LEU 40 2HB LEU 40 -8.100 16.832 -5.490 303 2HB LEU 40 1HB LEU 40 -6.631 15.985 -5.938 304 HG LEU 40 HG LEU 40 -6.615 15.378 -3.353 305 1HD1 LEU 40 1HD1 LEU 40 -9.187 14.838 -2.961 306 2HD1 LEU 40 2HD1 LEU 40 -9.370 16.307 -3.919 307 3HD1 LEU 40 3HD1 LEU 40 -8.444 16.342 -2.418 308 1HD2 LEU 40 1HD2 LEU 40 -8.534 13.921 -5.141 309 2HD2 LEU 40 2HD2 LEU 40 -7.429 13.267 -3.931 310 3HD2 LEU 40 3HD2 LEU 40 -6.797 13.910 -5.447 311 H VAL 41 H VAL 41 -5.293 17.873 -2.322 312 HA VAL 41 HA VAL 41 -7.654 18.359 -0.835 313 HB VAL 41 HB VAL 41 -5.467 17.409 0.054 314 1HG1 VAL 41 1HG1 VAL 41 -4.360 19.714 -0.879 315 2HG1 VAL 41 2HG1 VAL 41 -3.626 18.655 0.327 316 3HG1 VAL 41 3HG1 VAL 41 -4.543 20.073 0.838 317 1HG2 VAL 41 1HG2 VAL 41 -6.898 17.684 1.781 318 2HG2 VAL 41 2HG2 VAL 41 -7.257 19.358 1.360 319 3HG2 VAL 41 3HG2 VAL 41 -5.769 18.965 2.221 320 H TRP 42 H TRP 42 -5.366 20.427 -2.456 321 HA TRP 42 HA TRP 42 -7.102 22.705 -1.991 322 1HB TRP 42 2HB TRP 42 -5.171 22.487 -0.189 323 2HB TRP 42 1HB TRP 42 -4.202 23.193 -1.478 324 HD1 TRP 42 HD TRP 42 -3.897 25.653 -0.837 325 HE1 TRP 42 1HE TRP 42 -5.455 27.576 -0.129 326 HE3 TRP 42 3HE TRP 42 -8.282 23.051 -0.452 327 HZ2 TRP 42 2HZ TRP 42 -8.179 27.941 0.509 328 HZ3 TRP 42 3HZ TRP 42 -10.317 24.261 0.213 329 HH2 TRP 42 HH TRP 42 -10.265 26.656 0.685 330 H ILE 43 H ILE 43 -6.553 21.185 -4.295 331 HA ILE 43 HA ILE 43 -5.835 21.306 -6.459 332 HB ILE 43 HB ILE 43 -7.582 23.056 -6.360 333 1HG1 ILE 43 2HG1 ILE 43 -5.667 24.264 -8.242 334 2HG1 ILE 43 1HG1 ILE 43 -5.819 22.515 -8.378 335 1HG2 ILE 43 1HG2 ILE 43 -6.786 25.447 -6.426 336 2HG2 ILE 43 2HG2 ILE 43 -5.233 24.859 -5.831 337 3HG2 ILE 43 3HG2 ILE 43 -6.687 24.647 -4.857 338 1HD1 ILE 43 1HD1 ILE 43 -7.580 24.573 -9.301 339 2HD1 ILE 43 2HD1 ILE 43 -8.431 23.494 -8.195 340 3HD1 ILE 43 3HD1 ILE 43 -7.619 22.838 -9.616 341 H TRP 44 H TRP 44 -3.674 21.282 -4.657 342 HA TRP 44 HA TRP 44 -1.395 21.332 -4.927 343 1HB TRP 44 2HB TRP 44 -2.142 22.064 -7.440 344 2HB TRP 44 1HB TRP 44 -1.289 23.512 -6.913 345 HD1 TRP 44 HD TRP 44 -0.715 19.900 -7.921 346 HE1 TRP 44 1HE TRP 44 1.816 19.474 -8.122 347 HE3 TRP 44 3HE TRP 44 1.009 24.276 -5.916 348 HZ2 TRP 44 2HZ TRP 44 4.224 20.815 -7.512 349 HZ3 TRP 44 3HZ TRP 44 3.440 24.626 -5.760 350 HH2 TRP 44 HH TRP 44 5.013 22.929 -6.541 351 H ARG 45 H ARG 45 -0.799 22.172 -3.029 352 HA ARG 45 HA ARG 45 0.174 24.787 -2.848 353 1HB ARG 45 2HB ARG 45 -2.648 24.488 -2.198 354 2HB ARG 45 1HB ARG 45 -1.725 25.139 -0.850 355 1HG ARG 45 2HG ARG 45 -1.263 26.330 -3.522 356 2HG ARG 45 1HG ARG 45 -2.794 26.682 -2.718 357 1HD ARG 45 2HD ARG 45 -0.118 27.020 -1.381 358 2HD ARG 45 1HD ARG 45 -0.907 28.311 -2.288 359 HE ARG 45 HE ARG 45 -1.595 27.362 0.334 360 1HH1 ARG 45 1HH1 ARG 45 -2.797 28.958 -2.529 361 2HH1 ARG 45 2HH1 ARG 45 -4.079 29.766 -1.692 362 1HH2 ARG 45 1HH2 ARG 45 -3.282 28.423 1.435 363 2HH2 ARG 45 2HH2 ARG 45 -4.355 29.462 0.559 364 HA PRO 46 HA PRO 46 0.393 22.911 1.571 365 1HB PRO 46 2HB PRO 46 -1.030 20.618 2.049 366 2HB PRO 46 1HB PRO 46 -1.622 22.244 2.406 367 1HG PRO 46 2HG PRO 46 -2.256 20.458 0.105 368 2HG PRO 46 1HG PRO 46 -3.307 21.578 0.986 369 1HD PRO 46 2HD PRO 46 -2.237 22.131 -1.457 370 2HD PRO 46 1HD PRO 46 -2.646 23.377 -0.263 371 H TRP 47 H TRP 47 -0.496 19.822 0.078 372 HA TRP 47 HA TRP 47 0.688 17.947 -0.364 373 1HB TRP 47 2HB TRP 47 2.574 18.170 -1.816 374 2HB TRP 47 1HB TRP 47 1.441 19.454 -2.218 375 HD1 TRP 47 HD TRP 47 4.581 19.103 0.059 376 HE1 TRP 47 1HE TRP 47 5.959 21.264 -0.173 377 HE3 TRP 47 3HE TRP 47 1.529 21.674 -3.136 378 HZ2 TRP 47 2HZ TRP 47 5.776 23.733 -1.530 379 HZ3 TRP 47 3HZ TRP 47 2.203 23.930 -3.852 380 HH2 TRP 47 HH TRP 47 4.283 24.937 -3.064 381 H VAL 48 H VAL 48 2.238 16.505 0.408 382 HA VAL 48 HA VAL 48 4.270 17.405 2.256 383 HB VAL 48 HB VAL 48 2.079 15.597 3.288 384 1HG1 VAL 48 1HG1 VAL 48 3.930 16.905 5.152 385 2HG1 VAL 48 2HG1 VAL 48 4.673 15.711 4.087 386 3HG1 VAL 48 3HG1 VAL 48 3.324 15.248 5.125 387 1HG2 VAL 48 1HG2 VAL 48 1.537 17.508 4.795 388 2HG2 VAL 48 2HG2 VAL 48 1.168 17.805 3.097 389 3HG2 VAL 48 3HG2 VAL 48 2.610 18.516 3.825 390 HA PRO 49 HA PRO 49 4.906 13.269 0.079 391 1HB PRO 49 2HB PRO 49 6.553 13.998 -1.909 392 2HB PRO 49 1HB PRO 49 4.797 14.129 -2.068 393 1HG PRO 49 2HG PRO 49 6.805 16.258 -1.442 394 2HG PRO 49 1HG PRO 49 5.403 16.325 -2.524 395 1HD PRO 49 2HD PRO 49 5.418 17.325 0.030 396 2HD PRO 49 1HD PRO 49 3.954 16.781 -0.811 397 H GLY 50 H GLY 50 7.282 15.898 0.458 398 1HA GLY 50 2HA GLY 50 8.866 15.226 2.402 399 2HA GLY 50 1HA GLY 50 9.280 13.918 1.306 400 HA PRO 51 HA PRO 51 12.380 16.547 -0.407 401 1HB PRO 51 2HB PRO 51 12.657 15.479 -2.882 402 2HB PRO 51 1HB PRO 51 13.238 14.672 -1.421 403 1HG PRO 51 2HG PRO 51 10.725 14.198 -2.977 404 2HG PRO 51 1HG PRO 51 11.841 13.017 -2.267 405 1HD PRO 51 2HD PRO 51 9.497 13.717 -1.091 406 2HD PRO 51 1HD PRO 51 10.930 13.231 -0.165 407 H ASN 52 H ASN 52 9.716 15.869 -2.685 408 HA ASN 52 HA ASN 52 10.078 18.129 -4.297 409 1HB ASN 52 2HB ASN 52 8.582 16.025 -4.643 410 2HB ASN 52 1HB ASN 52 7.355 16.964 -3.796 411 1HD2 ASN 52 1HD2 ASN 52 5.978 17.734 -5.216 412 2HD2 ASN 52 2HD2 ASN 52 6.376 18.472 -6.726 413 H GLY 53 H GLY 53 8.523 19.966 -4.498 414 1HA GLY 53 2HA GLY 53 6.763 21.190 -3.148 415 2HA GLY 53 1HA GLY 53 7.882 21.002 -1.808 416 H TYR 54 H TYR 54 10.283 21.633 -2.846 417 HA TYR 54 HA TYR 54 11.593 23.490 -3.078 418 1HB TYR 54 2HB TYR 54 11.413 24.569 -5.255 419 2HB TYR 54 1HB TYR 54 11.196 22.831 -5.416 420 HD1 TYR 54 1HD TYR 54 9.041 21.898 -6.042 421 HD2 TYR 54 2HD TYR 54 9.564 26.102 -5.644 422 HE1 TYR 54 1HE TYR 54 6.920 22.270 -7.229 423 HE2 TYR 54 2HE TYR 54 7.444 26.484 -6.827 424 HH TYR 54 HH TYR 54 5.961 25.359 -8.359 425 H SER 55 H SER 55 9.252 23.868 -1.386 426 HA SER 55 HA SER 55 8.204 25.534 -0.249 427 1HB SER 55 2HB SER 55 10.400 27.094 -1.602 428 2HB SER 55 1HB SER 55 9.231 27.874 -0.537 429 HG SER 55 HG SER 55 10.757 25.620 0.240 Start of MODEL 8 1 1H ALA 1 1H ALA 1 2.756 -33.536 6.153 2 HA ALA 1 HA ALA 1 5.193 -34.969 5.903 3 1HB ALA 1 1HB ALA 1 4.521 -37.017 7.248 4 2HB ALA 1 2HB ALA 1 3.376 -35.963 8.079 5 3HB ALA 1 3HB ALA 1 5.105 -35.624 8.161 6 H GLU 2 H GLU 2 1.967 -36.298 6.572 7 HA GLU 2 HA GLU 2 1.933 -37.830 4.190 8 1HB GLU 2 2HB GLU 2 0.586 -38.029 6.476 9 2HB GLU 2 1HB GLU 2 -0.618 -37.131 5.562 10 1HG GLU 2 2HG GLU 2 -1.171 -38.901 4.320 11 2HG GLU 2 1HG GLU 2 0.505 -39.407 4.118 12 H VAL 3 H VAL 3 0.027 -34.974 5.154 13 HA VAL 3 HA VAL 3 -0.360 -34.390 2.290 14 HB VAL 3 HB VAL 3 -2.437 -33.158 3.017 15 1HG1 VAL 3 1HG1 VAL 3 -3.765 -35.025 2.751 16 2HG1 VAL 3 2HG1 VAL 3 -2.714 -36.044 3.733 17 3HG1 VAL 3 3HG1 VAL 3 -2.226 -35.587 2.101 18 1HG2 VAL 3 1HG2 VAL 3 -3.429 -33.871 5.176 19 2HG2 VAL 3 2HG2 VAL 3 -1.970 -32.898 5.366 20 3HG2 VAL 3 3HG2 VAL 3 -1.899 -34.647 5.585 21 H LYS 4 H LYS 4 0.036 -32.994 5.515 22 HA LYS 4 HA LYS 4 1.375 -31.209 6.123 23 1HB LYS 4 2HB LYS 4 2.251 -31.417 3.605 24 2HB LYS 4 1HB LYS 4 1.337 -29.925 3.444 25 1HG LYS 4 2HG LYS 4 2.707 -29.351 5.667 26 2HG LYS 4 1HG LYS 4 3.840 -30.468 4.905 27 1HD LYS 4 2HD LYS 4 3.119 -28.889 2.802 28 2HD LYS 4 1HD LYS 4 3.074 -27.742 4.142 29 1HE LYS 4 2HE LYS 4 5.350 -28.305 4.742 30 2HE LYS 4 1HE LYS 4 5.401 -29.545 3.490 31 1HZ LYS 4 1HZ LYS 4 4.832 -27.560 1.945 32 2HZ LYS 4 2HZ LYS 4 6.427 -27.789 2.460 33 3HZ LYS 4 3HZ LYS 4 5.459 -26.621 3.206 34 H GLN 5 H GLN 5 -1.157 -30.579 3.716 35 HA GLN 5 HA GLN 5 -2.746 -29.125 5.549 36 1HB GLN 5 2HB GLN 5 -0.855 -27.603 3.851 37 2HB GLN 5 1HB GLN 5 -2.500 -26.984 3.923 38 1HG GLN 5 2HG GLN 5 -2.073 -27.365 6.533 39 2HG GLN 5 1HG GLN 5 -0.413 -27.084 6.008 40 1HE2 GLN 5 1HE2 GLN 5 -2.017 -25.424 7.714 41 2HE2 GLN 5 2HE2 GLN 5 -2.167 -23.890 6.932 42 H GLU 6 H GLU 6 -2.936 -31.237 3.528 43 HA GLU 6 HA GLU 6 -4.221 -31.923 1.762 44 1HB GLU 6 2HB GLU 6 -6.222 -29.949 2.851 45 2HB GLU 6 1HB GLU 6 -6.545 -31.465 2.023 46 1HG GLU 6 2HG GLU 6 -5.096 -31.391 4.643 47 2HG GLU 6 1HG GLU 6 -6.857 -31.383 4.555 48 H SER 7 H SER 7 -2.679 -30.717 0.347 49 HA SER 7 HA SER 7 -2.496 -29.742 -1.715 50 1HB SER 7 2HB SER 7 -4.866 -29.923 -2.171 51 2HB SER 7 1HB SER 7 -5.205 -28.559 -1.112 52 HG SER 7 HG SER 7 -3.520 -28.335 -3.367 53 H LEU 8 H LEU 8 -0.713 -28.644 -0.995 54 HA LEU 8 HA LEU 8 -0.767 -26.350 0.629 55 1HB LEU 8 2HB LEU 8 1.396 -26.709 -1.387 56 2HB LEU 8 1HB LEU 8 1.500 -26.172 0.277 57 HG LEU 8 HG LEU 8 1.175 -29.002 -0.712 58 1HD1 LEU 8 1HD1 LEU 8 3.358 -27.440 0.603 59 2HD1 LEU 8 2HD1 LEU 8 3.427 -28.486 -0.816 60 3HD1 LEU 8 3HD1 LEU 8 3.267 -29.192 0.793 61 1HD2 LEU 8 1HD2 LEU 8 0.916 -29.751 1.502 62 2HD2 LEU 8 2HD2 LEU 8 -0.227 -28.420 1.330 63 3HD2 LEU 8 3HD2 LEU 8 1.301 -28.165 2.171 64 H SER 9 H SER 9 -1.704 -26.727 -2.610 65 HA SER 9 HA SER 9 -0.914 -24.302 -3.750 66 1HB SER 9 2HB SER 9 -3.619 -25.272 -4.463 67 2HB SER 9 1HB SER 9 -2.244 -24.898 -5.501 68 HG SER 9 HG SER 9 -2.947 -27.208 -5.218 69 H GLY 10 H GLY 10 -3.256 -25.001 -1.322 70 1HA GLY 10 2HA GLY 10 -4.799 -22.602 -1.666 71 2HA GLY 10 1HA GLY 10 -4.894 -23.721 -0.316 72 H ILE 11 H ILE 11 -2.000 -23.544 0.254 73 HA ILE 11 HA ILE 11 -2.138 -21.092 1.803 74 HB ILE 11 HB ILE 11 -1.337 -22.785 3.160 75 1HG1 ILE 11 2HG1 ILE 11 0.236 -20.727 2.937 76 2HG1 ILE 11 1HG1 ILE 11 0.792 -22.133 3.840 77 1HG2 ILE 11 1HG2 ILE 11 -1.062 -24.538 1.563 78 2HG2 ILE 11 2HG2 ILE 11 0.430 -24.404 2.492 79 3HG2 ILE 11 3HG2 ILE 11 0.348 -23.744 0.860 80 1HD1 ILE 11 1HD1 ILE 11 2.137 -20.855 1.811 81 2HD1 ILE 11 2HD1 ILE 11 1.477 -22.289 1.027 82 3HD1 ILE 11 3HD1 ILE 11 2.497 -22.456 2.455 83 H THR 12 H THR 12 -0.185 -22.514 -0.765 84 HA THR 12 HA THR 12 1.707 -20.423 -0.945 85 HB THR 12 HB THR 12 0.783 -22.353 -3.084 86 HG1 THR 12 1HG THR 12 1.849 -23.762 -1.987 87 1HG2 THR 12 1HG2 THR 12 3.547 -21.330 -3.041 88 2HG2 THR 12 2HG2 THR 12 2.295 -20.220 -3.598 89 3HG2 THR 12 3HG2 THR 12 2.516 -21.775 -4.400 90 H GLU 13 H GLU 13 -1.151 -21.163 -2.941 91 HA GLU 13 HA GLU 13 -1.030 -18.669 -4.334 92 1HB GLU 13 2HB GLU 13 -2.001 -20.764 -5.286 93 2HB GLU 13 1HB GLU 13 -3.339 -20.611 -4.157 94 1HG GLU 13 2HG GLU 13 -3.335 -18.160 -5.342 95 2HG GLU 13 1HG GLU 13 -2.818 -19.204 -6.665 96 H GLY 14 H GLY 14 -2.614 -19.830 -1.455 97 1HA GLY 14 2HA GLY 14 -4.573 -17.774 -1.267 98 2HA GLY 14 1HA GLY 14 -4.031 -18.808 0.047 99 H GLU 15 H GLU 15 -1.570 -18.245 0.594 100 HA GLU 15 HA GLU 15 -1.628 -15.695 1.791 101 1HB GLU 15 2HB GLU 15 -0.321 -17.552 2.712 102 2HB GLU 15 1HB GLU 15 0.722 -17.535 1.296 103 1HG GLU 15 2HG GLU 15 0.922 -14.962 2.143 104 2HG GLU 15 1HG GLU 15 0.728 -15.823 3.670 105 H ALA 16 H ALA 16 -0.003 -16.940 -1.090 106 HA ALA 16 HA ALA 16 1.490 -14.667 -1.743 107 1HB ALA 16 1HB ALA 16 1.570 -15.587 -4.008 108 2HB ALA 16 2HB ALA 16 0.273 -16.711 -3.600 109 3HB ALA 16 3HB ALA 16 1.839 -16.841 -2.799 110 H LYS 17 H LYS 17 -1.843 -15.544 -2.451 111 HA LYS 17 HA LYS 17 -2.375 -13.402 -4.233 112 1HB LYS 17 2HB LYS 17 -3.744 -15.439 -4.161 113 2HB LYS 17 1HB LYS 17 -4.273 -15.033 -2.534 114 1HG LYS 17 2HG LYS 17 -5.046 -12.804 -3.735 115 2HG LYS 17 1HG LYS 17 -5.078 -13.872 -5.140 116 1HD LYS 17 2HD LYS 17 -6.753 -15.191 -4.267 117 2HD LYS 17 1HD LYS 17 -6.359 -14.771 -2.600 118 1HE LYS 17 2HE LYS 17 -7.086 -12.358 -3.476 119 2HE LYS 17 1HE LYS 17 -8.045 -13.346 -4.577 120 1HZ LYS 17 1HZ LYS 17 -9.502 -13.280 -2.883 121 2HZ LYS 17 2HZ LYS 17 -8.324 -12.958 -1.714 122 3HZ LYS 17 3HZ LYS 17 -8.563 -14.541 -2.259 123 H GLU 18 H GLU 18 -3.051 -13.878 -0.775 124 HA GLU 18 HA GLU 18 -4.342 -11.440 -0.319 125 1HB GLU 18 2HB GLU 18 -2.889 -13.402 1.406 126 2HB GLU 18 1HB GLU 18 -3.347 -11.848 2.087 127 1HG GLU 18 2HG GLU 18 -5.664 -12.269 1.643 128 2HG GLU 18 1HG GLU 18 -5.269 -13.747 0.765 129 H PHE 19 H PHE 19 -0.953 -12.286 0.413 130 HA PHE 19 HA PHE 19 -0.126 -9.730 1.151 131 1HB PHE 19 2HB PHE 19 1.056 -12.124 1.207 132 2HB PHE 19 1HB PHE 19 1.823 -11.491 -0.246 133 HD1 PHE 19 1HD PHE 19 2.736 -9.007 0.028 134 HD2 PHE 19 2HD PHE 19 2.100 -11.759 3.212 135 HE1 PHE 19 1HE PHE 19 4.343 -7.765 1.417 136 HE2 PHE 19 2HE PHE 19 3.706 -10.521 4.607 137 HZ PHE 19 HZ PHE 19 4.830 -8.522 3.709 138 H HIS 20 H HIS 20 -0.520 -11.163 -2.007 139 HA HIS 20 HA HIS 20 1.012 -9.250 -3.446 140 1HB HIS 20 2HB HIS 20 -0.950 -11.379 -4.144 141 2HB HIS 20 1HB HIS 20 -0.635 -10.133 -5.346 142 HD1 HIS 20 1HD HIS 20 0.185 -13.171 -5.629 143 HD2 HIS 20 2HD HIS 20 2.694 -10.064 -4.483 144 HE1 HIS 20 1HE HIS 20 2.512 -13.953 -6.170 145 HE2 HIS 20 2HE HIS 20 4.020 -12.094 -5.384 146 H LYS 21 H LYS 21 -2.528 -9.702 -3.363 147 HA LYS 21 HA LYS 21 -3.163 -7.273 -4.576 148 1HB LYS 21 2HB LYS 21 -5.420 -7.603 -3.417 149 2HB LYS 21 1HB LYS 21 -4.879 -8.866 -4.512 150 1HG LYS 21 2HG LYS 21 -5.174 -10.346 -2.898 151 2HG LYS 21 1HG LYS 21 -3.903 -9.554 -1.967 152 1HD LYS 21 2HD LYS 21 -5.804 -9.605 -0.563 153 2HD LYS 21 1HD LYS 21 -5.684 -7.947 -1.155 154 1HE LYS 21 2HE LYS 21 -7.359 -8.474 -2.886 155 2HE LYS 21 1HE LYS 21 -7.509 -10.100 -2.219 156 1HZ LYS 21 1HZ LYS 21 -9.217 -9.058 -1.161 157 2HZ LYS 21 2HZ LYS 21 -8.452 -7.551 -1.131 158 3HZ LYS 21 3HZ LYS 21 -7.988 -8.756 -0.038 159 H ILE 22 H ILE 22 -2.975 -8.071 -1.107 160 HA ILE 22 HA ILE 22 -3.784 -5.580 -0.140 161 HB ILE 22 HB ILE 22 -2.849 -6.223 1.969 162 1HG1 ILE 22 2HG1 ILE 22 -1.574 -8.538 1.931 163 2HG1 ILE 22 1HG1 ILE 22 -1.154 -8.026 0.301 164 1HG2 ILE 22 1HG2 ILE 22 -3.603 -8.811 1.810 165 2HG2 ILE 22 2HG2 ILE 22 -4.336 -8.156 0.346 166 3HG2 ILE 22 3HG2 ILE 22 -4.722 -7.452 1.916 167 1HD1 ILE 22 1HD1 ILE 22 -0.655 -5.811 1.913 168 2HD1 ILE 22 2HD1 ILE 22 0.529 -6.898 1.186 169 3HD1 ILE 22 3HD1 ILE 22 -0.059 -7.199 2.822 170 H PHE 23 H PHE 23 -0.577 -6.789 -1.000 171 HA PHE 23 HA PHE 23 0.900 -4.584 -0.059 172 1HB PHE 23 2HB PHE 23 1.969 -6.707 -0.612 173 2HB PHE 23 1HB PHE 23 1.527 -6.515 -2.305 174 HD1 PHE 23 1HD PHE 23 3.896 -5.687 0.280 175 HD2 PHE 23 2HD PHE 23 2.580 -4.696 -3.644 176 HE1 PHE 23 1HE PHE 23 6.017 -4.510 -0.131 177 HE2 PHE 23 2HE PHE 23 4.699 -3.519 -4.062 178 HZ PHE 23 HZ PHE 23 6.421 -3.425 -2.304 179 H THR 24 H THR 24 0.292 -5.396 -3.471 180 HA THR 24 HA THR 24 0.985 -2.969 -4.564 181 HB THR 24 HB THR 24 -0.011 -5.368 -5.493 182 HG1 THR 24 1HG THR 24 1.504 -4.087 -6.541 183 1HG2 THR 24 1HG2 THR 24 -2.327 -4.594 -5.365 184 2HG2 THR 24 2HG2 THR 24 -1.806 -4.866 -7.027 185 3HG2 THR 24 3HG2 THR 24 -1.918 -3.223 -6.395 186 H SER 25 H SER 25 -2.223 -4.008 -3.448 187 HA SER 25 HA SER 25 -3.707 -1.798 -4.197 188 1HB SER 25 2HB SER 25 -4.780 -3.774 -3.302 189 2HB SER 25 1HB SER 25 -3.997 -3.540 -1.740 190 HG SER 25 HG SER 25 -5.195 -1.632 -1.489 191 H SER 26 H SER 26 -2.537 -2.321 -0.872 192 HA SER 26 HA SER 26 -3.022 0.144 0.173 193 1HB SER 26 2HB SER 26 -1.465 -0.359 1.892 194 2HB SER 26 1HB SER 26 -2.096 -1.913 1.350 195 HG SER 26 HG SER 26 -0.138 -2.448 0.848 196 H ILE 27 H ILE 27 -0.089 -0.801 -1.623 197 HA ILE 27 HA ILE 27 1.254 1.659 -1.296 198 HB ILE 27 HB ILE 27 1.498 -0.351 -3.542 199 1HG1 ILE 27 2HG1 ILE 27 2.004 -1.338 -1.383 200 2HG1 ILE 27 1HG1 ILE 27 3.502 -1.101 -2.278 201 1HG2 ILE 27 1HG2 ILE 27 3.905 0.801 -3.467 202 2HG2 ILE 27 2HG2 ILE 27 2.925 2.173 -2.948 203 3HG2 ILE 27 3HG2 ILE 27 2.597 1.390 -4.495 204 1HD1 ILE 27 1HD1 ILE 27 3.870 0.981 -0.984 205 2HD1 ILE 27 2HD1 ILE 27 3.858 -0.485 -0.004 206 3HD1 ILE 27 3HD1 ILE 27 2.450 0.577 -0.020 207 H LEU 28 H LEU 28 -0.970 0.470 -3.738 208 HA LEU 28 HA LEU 28 -0.814 2.641 -5.525 209 1HB LEU 28 2HB LEU 28 -2.583 0.334 -5.053 210 2HB LEU 28 1HB LEU 28 -3.334 1.688 -5.875 211 HG LEU 28 HG LEU 28 -1.863 1.544 -7.692 212 1HD1 LEU 28 1HD1 LEU 28 0.290 1.207 -7.154 213 2HD1 LEU 28 2HD1 LEU 28 -0.092 -0.499 -7.390 214 3HD1 LEU 28 3HD1 LEU 28 -0.114 0.193 -5.769 215 1HD2 LEU 28 1HD2 LEU 28 -2.860 -1.095 -6.713 216 2HD2 LEU 28 2HD2 LEU 28 -1.953 -0.996 -8.223 217 3HD2 LEU 28 3HD2 LEU 28 -3.456 -0.094 -8.037 218 H VAL 29 H VAL 29 -3.395 1.816 -3.290 219 HA VAL 29 HA VAL 29 -4.782 4.242 -3.497 220 HB VAL 29 HB VAL 29 -5.767 3.404 -1.199 221 1HG1 VAL 29 1HG1 VAL 29 -7.489 2.626 -2.421 222 2HG1 VAL 29 2HG1 VAL 29 -6.465 1.548 -3.372 223 3HG1 VAL 29 3HG1 VAL 29 -6.548 3.265 -3.769 224 1HG2 VAL 29 1HG2 VAL 29 -5.072 0.706 -2.137 225 2HG2 VAL 29 2HG2 VAL 29 -5.290 1.321 -0.498 226 3HG2 VAL 29 3HG2 VAL 29 -3.773 1.598 -1.350 227 H PHE 30 H PHE 30 -2.680 3.058 -0.849 228 HA PHE 30 HA PHE 30 -2.924 5.343 0.763 229 1HB PHE 30 2HB PHE 30 -1.929 2.986 1.276 230 2HB PHE 30 1HB PHE 30 -0.415 3.702 0.732 231 HD1 PHE 30 1HD PHE 30 -2.748 3.378 3.431 232 HD2 PHE 30 2HD PHE 30 0.435 5.762 1.915 233 HE1 PHE 30 1HE PHE 30 -2.413 4.346 5.668 234 HE2 PHE 30 2HE PHE 30 0.776 6.734 4.150 235 HZ PHE 30 HZ PHE 30 -0.649 6.026 6.029 236 H PHE 31 H PHE 31 -0.734 4.597 -1.854 237 HA PHE 31 HA PHE 31 0.713 7.105 -1.480 238 1HB PHE 31 2HB PHE 31 1.708 4.704 -2.116 239 2HB PHE 31 1HB PHE 31 1.357 5.280 -3.742 240 HD1 PHE 31 1HD PHE 31 3.607 5.427 -0.964 241 HD2 PHE 31 2HD PHE 31 2.362 7.478 -4.480 242 HE1 PHE 31 1HE PHE 31 5.707 6.710 -0.956 243 HE2 PHE 31 2HE PHE 31 4.460 8.762 -4.479 244 HZ PHE 31 HZ PHE 31 6.136 8.379 -2.715 245 H GLY 32 H GLY 32 -1.843 5.770 -3.244 246 1HA GLY 32 2HA GLY 32 -1.653 7.497 -5.545 247 2HA GLY 32 1HA GLY 32 -3.011 6.450 -5.117 248 H VAL 33 H VAL 33 -3.217 7.291 -2.471 249 HA VAL 33 HA VAL 33 -4.812 9.642 -2.768 250 HB VAL 33 HB VAL 33 -5.303 9.300 -0.400 251 1HG1 VAL 33 1HG1 VAL 33 -5.607 7.099 -2.346 252 2HG1 VAL 33 2HG1 VAL 33 -6.834 8.129 -1.608 253 3HG1 VAL 33 3HG1 VAL 33 -6.108 6.817 -0.679 254 1HG2 VAL 33 1HG2 VAL 33 -3.438 8.523 0.667 255 2HG2 VAL 33 2HG2 VAL 33 -3.117 7.319 -0.576 256 3HG2 VAL 33 3HG2 VAL 33 -4.429 7.068 0.569 257 H ALA 34 H ALA 34 -1.975 8.748 -0.777 258 HA ALA 34 HA ALA 34 -1.425 11.195 0.344 259 1HB ALA 34 1HB ALA 34 -0.082 9.441 1.093 260 2HB ALA 34 2HB ALA 34 1.038 10.414 0.140 261 3HB ALA 34 3HB ALA 34 0.346 8.943 -0.544 262 H ALA 35 H ALA 35 -0.535 9.942 -2.828 263 HA ALA 35 HA ALA 35 0.969 12.147 -3.721 264 1HB ALA 35 1HB ALA 35 -0.578 10.051 -5.235 265 2HB ALA 35 2HB ALA 35 1.139 10.033 -4.837 266 3HB ALA 35 3HB ALA 35 0.514 11.213 -5.988 267 H PHE 36 H PHE 36 -2.221 11.219 -5.002 268 HA PHE 36 HA PHE 36 -2.788 13.814 -5.979 269 1HB PHE 36 2HB PHE 36 -4.164 11.216 -5.848 270 2HB PHE 36 1HB PHE 36 -5.238 12.610 -5.857 271 HD1 PHE 36 1HD PHE 36 -5.957 13.366 -7.895 272 HD2 PHE 36 2HD PHE 36 -2.195 11.394 -7.643 273 HE1 PHE 36 1HE PHE 36 -5.705 13.545 -10.336 274 HE2 PHE 36 2HE PHE 36 -1.935 11.570 -10.084 275 HZ PHE 36 HZ PHE 36 -3.691 12.647 -11.433 276 H ALA 37 H ALA 37 -4.189 11.997 -3.249 277 HA ALA 37 HA ALA 37 -5.951 13.848 -2.271 278 1HB ALA 37 1HB ALA 37 -4.279 12.343 -0.308 279 2HB ALA 37 2HB ALA 37 -5.302 11.450 -1.434 280 3HB ALA 37 3HB ALA 37 -6.021 12.617 -0.327 281 H HIS 38 H HIS 38 -2.556 13.542 -1.085 282 HA HIS 38 HA HIS 38 -2.687 15.911 0.449 283 1HB HIS 38 2HB HIS 38 -0.214 14.648 -0.763 284 2HB HIS 38 1HB HIS 38 -0.254 15.768 0.587 285 HD1 HIS 38 1HD HIS 38 -2.941 13.947 1.566 286 HD2 HIS 38 2HD HIS 38 1.062 12.900 1.182 287 HE1 HIS 38 1HE HIS 38 -2.619 11.955 3.068 288 HE2 HIS 38 2HE HIS 38 -0.209 11.289 2.755 289 H LEU 39 H LEU 39 -1.979 15.308 -2.916 290 HA LEU 39 HA LEU 39 -0.875 17.858 -3.488 291 1HB LEU 39 2HB LEU 39 -2.002 15.609 -5.077 292 2HB LEU 39 1HB LEU 39 -1.910 17.175 -5.856 293 HG LEU 39 HG LEU 39 0.515 16.023 -4.525 294 1HD1 LEU 39 1HD1 LEU 39 0.998 14.583 -6.196 295 2HD1 LEU 39 2HD1 LEU 39 0.170 15.547 -7.418 296 3HD1 LEU 39 3HD1 LEU 39 -0.758 14.512 -6.334 297 1HD2 LEU 39 1HD2 LEU 39 0.792 17.444 -7.044 298 2HD2 LEU 39 2HD2 LEU 39 1.574 17.730 -5.489 299 3HD2 LEU 39 3HD2 LEU 39 -0.022 18.405 -5.810 300 H LEU 40 H LEU 40 -4.005 16.801 -2.707 301 HA LEU 40 HA LEU 40 -5.112 19.378 -3.576 302 1HB LEU 40 2HB LEU 40 -7.246 18.305 -4.031 303 2HB LEU 40 1HB LEU 40 -5.973 17.616 -5.021 304 HG LEU 40 HG LEU 40 -5.862 15.783 -3.182 305 1HD1 LEU 40 1HD1 LEU 40 -8.289 17.299 -2.458 306 2HD1 LEU 40 2HD1 LEU 40 -7.209 16.333 -1.454 307 3HD1 LEU 40 3HD1 LEU 40 -8.427 15.542 -2.455 308 1HD2 LEU 40 1HD2 LEU 40 -7.191 14.430 -4.494 309 2HD2 LEU 40 2HD2 LEU 40 -6.807 15.743 -5.608 310 3HD2 LEU 40 3HD2 LEU 40 -8.373 15.704 -4.797 311 H VAL 41 H VAL 41 -4.084 18.002 -0.927 312 HA VAL 41 HA VAL 41 -5.901 19.389 0.753 313 HB VAL 41 HB VAL 41 -7.155 17.276 0.328 314 1HG1 VAL 41 1HG1 VAL 41 -5.795 15.552 2.116 315 2HG1 VAL 41 2HG1 VAL 41 -4.623 16.097 0.917 316 3HG1 VAL 41 3HG1 VAL 41 -6.115 15.312 0.398 317 1HG2 VAL 41 1HG2 VAL 41 -6.911 18.733 2.567 318 2HG2 VAL 41 2HG2 VAL 41 -6.474 17.139 3.180 319 3HG2 VAL 41 3HG2 VAL 41 -8.031 17.384 2.390 320 H TRP 42 H TRP 42 -3.013 19.310 0.253 321 HA TRP 42 HA TRP 42 -2.178 18.748 3.017 322 1HB TRP 42 2HB TRP 42 -1.295 16.988 1.546 323 2HB TRP 42 1HB TRP 42 -0.502 18.208 0.559 324 HD1 TRP 42 HD TRP 42 -0.496 18.010 4.424 325 HE1 TRP 42 1HE TRP 42 1.949 17.844 5.208 326 HE3 TRP 42 3HE TRP 42 1.802 17.723 -0.135 327 HZ2 TRP 42 2HZ TRP 42 4.513 17.623 4.048 328 HZ3 TRP 42 3HZ TRP 42 4.254 17.537 -0.210 329 HH2 TRP 42 HH TRP 42 5.581 17.488 1.840 330 H ILE 43 H ILE 43 -0.173 20.017 0.391 331 HA ILE 43 HA ILE 43 -0.499 22.743 1.226 332 HB ILE 43 HB ILE 43 1.032 21.696 2.963 333 1HG1 ILE 43 2HG1 ILE 43 2.786 23.663 2.525 334 2HG1 ILE 43 1HG1 ILE 43 1.557 24.146 1.360 335 1HG2 ILE 43 1HG2 ILE 43 2.299 20.401 1.144 336 2HG2 ILE 43 2HG2 ILE 43 3.229 21.119 2.459 337 3HG2 ILE 43 3HG2 ILE 43 3.176 21.909 0.882 338 1HD1 ILE 43 1HD1 ILE 43 0.083 23.617 3.606 339 2HD1 ILE 43 2HD1 ILE 43 0.611 25.211 3.064 340 3HD1 ILE 43 3HD1 ILE 43 1.560 24.325 4.259 341 H TRP 44 H TRP 44 -0.420 20.924 -1.220 342 HA TRP 44 HA TRP 44 1.812 21.775 -2.778 343 1HB TRP 44 2HB TRP 44 0.357 19.690 -3.132 344 2HB TRP 44 1HB TRP 44 -0.801 20.775 -3.896 345 HD1 TRP 44 HD TRP 44 -0.477 21.158 -6.412 346 HE1 TRP 44 1HE TRP 44 1.406 20.712 -8.110 347 HE3 TRP 44 3HE TRP 44 3.170 19.594 -3.188 348 HZ2 TRP 44 2HZ TRP 44 4.083 19.817 -8.085 349 HZ3 TRP 44 3HZ TRP 44 5.364 18.961 -4.107 350 HH2 TRP 44 HH TRP 44 5.809 19.071 -6.504 351 H ARG 45 H ARG 45 -1.641 22.632 -2.825 352 HA ARG 45 HA ARG 45 -1.286 25.367 -3.139 353 1HB ARG 45 2HB ARG 45 -0.545 24.103 -5.474 354 2HB ARG 45 1HB ARG 45 -2.214 24.551 -5.794 355 1HG ARG 45 2HG ARG 45 -1.416 26.874 -4.844 356 2HG ARG 45 1HG ARG 45 0.164 26.273 -5.350 357 1HD ARG 45 2HD ARG 45 -2.261 26.368 -7.136 358 2HD ARG 45 1HD ARG 45 -1.031 27.629 -7.075 359 HE ARG 45 HE ARG 45 0.076 25.040 -7.567 360 1HH1 ARG 45 1HH1 ARG 45 -1.497 27.766 -9.074 361 2HH1 ARG 45 2HH1 ARG 45 -0.827 27.447 -10.638 362 1HH2 ARG 45 1HH2 ARG 45 0.959 24.619 -9.623 363 2HH2 ARG 45 2HH2 ARG 45 0.566 25.660 -10.951 364 HA PRO 46 HA PRO 46 -5.835 24.095 -4.407 365 1HB PRO 46 2HB PRO 46 -5.768 21.195 -3.835 366 2HB PRO 46 1HB PRO 46 -6.508 22.059 -5.185 367 1HG PRO 46 2HG PRO 46 -4.284 20.612 -5.518 368 2HG PRO 46 1HG PRO 46 -4.538 22.134 -6.393 369 1HD PRO 46 2HD PRO 46 -2.841 21.590 -3.988 370 2HD PRO 46 1HD PRO 46 -2.502 22.614 -5.398 371 H TRP 47 H TRP 47 -4.858 21.512 -2.133 372 HA TRP 47 HA TRP 47 -5.348 21.161 0.061 373 1HB TRP 47 2HB TRP 47 -4.530 23.781 -0.078 374 2HB TRP 47 1HB TRP 47 -6.099 23.928 0.704 375 HD1 TRP 47 HD TRP 47 -5.250 20.793 2.015 376 HE1 TRP 47 1HE TRP 47 -3.939 20.920 4.226 377 HE3 TRP 47 3HE TRP 47 -3.724 25.666 1.774 378 HZ2 TRP 47 2HZ TRP 47 -2.455 22.834 5.676 379 HZ3 TRP 47 3HZ TRP 47 -2.362 26.568 3.615 380 HH2 TRP 47 HH TRP 47 -1.742 25.180 5.524 381 H VAL 48 H VAL 48 -7.141 20.681 1.346 382 HA VAL 48 HA VAL 48 -9.646 20.794 0.006 383 HB VAL 48 HB VAL 48 -8.918 18.924 1.510 384 1HG1 VAL 48 1HG1 VAL 48 -9.522 20.971 3.623 385 2HG1 VAL 48 2HG1 VAL 48 -8.083 19.971 3.438 386 3HG1 VAL 48 3HG1 VAL 48 -9.606 19.240 3.940 387 1HG2 VAL 48 1HG2 VAL 48 -11.586 20.248 1.649 388 2HG2 VAL 48 2HG2 VAL 48 -11.282 18.801 2.611 389 3HG2 VAL 48 3HG2 VAL 48 -11.113 18.745 0.856 390 HA PRO 49 HA PRO 49 -10.815 24.032 3.329 391 1HB PRO 49 2HB PRO 49 -8.900 25.485 4.497 392 2HB PRO 49 1HB PRO 49 -9.324 23.876 5.095 393 1HG PRO 49 2HG PRO 49 -7.015 24.721 3.397 394 2HG PRO 49 1HG PRO 49 -7.056 23.562 4.737 395 1HD PRO 49 2HD PRO 49 -7.120 22.885 2.062 396 2HD PRO 49 1HD PRO 49 -7.699 21.852 3.377 397 H GLY 50 H GLY 50 -11.380 24.795 1.141 398 1HA GLY 50 2HA GLY 50 -10.649 27.525 0.796 399 2HA GLY 50 1HA GLY 50 -9.891 26.519 -0.428 400 HA PRO 51 HA PRO 51 -14.591 27.713 -1.169 401 1HB PRO 51 2HB PRO 51 -13.303 29.595 -3.087 402 2HB PRO 51 1HB PRO 51 -14.761 29.804 -2.113 403 1HG PRO 51 2HG PRO 51 -12.490 31.016 -1.434 404 2HG PRO 51 1HG PRO 51 -13.565 30.337 -0.198 405 1HD PRO 51 2HD PRO 51 -10.982 29.278 -1.258 406 2HD PRO 51 1HD PRO 51 -11.640 29.211 0.389 407 H ASN 52 H ASN 52 -12.110 28.122 -3.705 408 HA ASN 52 HA ASN 52 -13.563 26.206 -5.369 409 1HB ASN 52 2HB ASN 52 -11.536 28.344 -5.912 410 2HB ASN 52 1HB ASN 52 -11.736 27.030 -7.068 411 1HD2 ASN 52 1HD2 ASN 52 -12.587 30.074 -6.528 412 2HD2 ASN 52 2HD2 ASN 52 -14.143 30.115 -7.276 413 H GLY 53 H GLY 53 -11.827 25.023 -6.926 414 1HA GLY 53 2HA GLY 53 -9.370 24.170 -6.065 415 2HA GLY 53 1HA GLY 53 -10.509 23.158 -5.191 416 H TYR 54 H TYR 54 -12.461 23.107 -7.347 417 HA TYR 54 HA TYR 54 -11.287 20.957 -8.870 418 1HB TYR 54 2HB TYR 54 -14.051 22.112 -9.231 419 2HB TYR 54 1HB TYR 54 -13.493 20.491 -9.632 420 HD1 TYR 54 1HD TYR 54 -14.737 22.676 -7.006 421 HD2 TYR 54 2HD TYR 54 -13.100 18.839 -7.841 422 HE1 TYR 54 1HE TYR 54 -15.498 21.879 -4.808 423 HE2 TYR 54 2HE TYR 54 -13.857 18.031 -5.645 424 HH TYR 54 HH TYR 54 -16.021 19.810 -3.678 425 H SER 55 H SER 55 -11.799 20.856 -11.278 426 HA SER 55 HA SER 55 -11.394 21.625 -13.380 427 1HB SER 55 2HB SER 55 -13.395 23.129 -12.557 428 2HB SER 55 1HB SER 55 -12.178 24.405 -12.586 429 HG SER 55 HG SER 55 -13.489 23.919 -14.584 Start of MODEL 9 1 1H ALA 1 1H ALA 1 -5.386 -35.031 -5.497 2 HA ALA 1 HA ALA 1 -4.729 -33.244 -7.602 3 1HB ALA 1 1HB ALA 1 -6.080 -33.702 -9.348 4 2HB ALA 1 2HB ALA 1 -7.366 -34.344 -8.325 5 3HB ALA 1 3HB ALA 1 -5.972 -35.348 -8.723 6 H GLU 2 H GLU 2 -5.399 -33.239 -4.815 7 HA GLU 2 HA GLU 2 -7.013 -30.950 -4.692 8 1HB GLU 2 2HB GLU 2 -8.621 -33.079 -5.073 9 2HB GLU 2 1HB GLU 2 -8.503 -33.114 -3.320 10 1HG GLU 2 2HG GLU 2 -9.430 -30.953 -3.118 11 2HG GLU 2 1HG GLU 2 -9.259 -30.641 -4.845 12 H VAL 3 H VAL 3 -5.904 -33.833 -2.981 13 HA VAL 3 HA VAL 3 -5.562 -32.246 -0.535 14 HB VAL 3 HB VAL 3 -4.875 -35.107 -0.411 15 1HG1 VAL 3 1HG1 VAL 3 -5.389 -33.154 1.388 16 2HG1 VAL 3 2HG1 VAL 3 -5.514 -34.879 1.733 17 3HG1 VAL 3 3HG1 VAL 3 -6.959 -33.956 1.316 18 1HG2 VAL 3 1HG2 VAL 3 -7.432 -35.596 -0.218 19 2HG2 VAL 3 2HG2 VAL 3 -6.649 -35.611 -1.797 20 3HG2 VAL 3 3HG2 VAL 3 -7.584 -34.204 -1.290 21 H LYS 4 H LYS 4 -3.542 -33.508 0.728 22 HA LYS 4 HA LYS 4 -1.287 -34.021 0.748 23 1HB LYS 4 2HB LYS 4 -1.672 -34.513 -1.834 24 2HB LYS 4 1HB LYS 4 -0.807 -32.992 -2.011 25 1HG LYS 4 2HG LYS 4 1.158 -33.863 -1.293 26 2HG LYS 4 1HG LYS 4 0.380 -35.011 -0.202 27 1HD LYS 4 2HD LYS 4 -0.429 -36.165 -2.369 28 2HD LYS 4 1HD LYS 4 0.840 -35.226 -3.157 29 1HE LYS 4 2HE LYS 4 1.205 -37.167 -0.877 30 2HE LYS 4 1HE LYS 4 1.650 -37.442 -2.560 31 1HZ LYS 4 1HZ LYS 4 3.221 -35.601 -2.395 32 2HZ LYS 4 2HZ LYS 4 3.569 -36.806 -1.261 33 3HZ LYS 4 3HZ LYS 4 2.810 -35.376 -0.769 34 H GLN 5 H GLN 5 -2.009 -31.164 -1.262 35 HA GLN 5 HA GLN 5 0.116 -29.610 -0.232 36 1HB GLN 5 2HB GLN 5 -1.934 -29.315 -2.181 37 2HB GLN 5 1HB GLN 5 -2.011 -27.920 -1.114 38 1HG GLN 5 2HG GLN 5 0.169 -27.258 -1.628 39 2HG GLN 5 1HG GLN 5 0.577 -28.830 -2.314 40 1HE2 GLN 5 1HE2 GLN 5 -0.787 -25.737 -2.883 41 2HE2 GLN 5 2HE2 GLN 5 -1.093 -25.934 -4.572 42 H GLU 6 H GLU 6 -3.120 -30.236 0.868 43 HA GLU 6 HA GLU 6 -4.180 -29.744 2.820 44 1HB GLU 6 2HB GLU 6 -1.632 -28.414 3.736 45 2HB GLU 6 1HB GLU 6 -2.927 -29.053 4.738 46 1HG GLU 6 2HG GLU 6 -1.681 -31.005 2.937 47 2HG GLU 6 1HG GLU 6 -0.620 -30.350 4.183 48 H SER 7 H SER 7 -5.641 -28.339 1.945 49 HA SER 7 HA SER 7 -6.812 -26.359 2.192 50 1HB SER 7 2HB SER 7 -5.932 -24.445 3.127 51 2HB SER 7 1HB SER 7 -4.821 -25.649 3.779 52 HG SER 7 HG SER 7 -4.411 -23.971 1.533 53 H LEU 8 H LEU 8 -4.018 -26.821 0.207 54 HA LEU 8 HA LEU 8 -3.372 -25.900 -1.823 55 1HB LEU 8 2HB LEU 8 -6.103 -27.058 -2.158 56 2HB LEU 8 1HB LEU 8 -5.183 -26.462 -3.525 57 HG LEU 8 HG LEU 8 -3.346 -28.070 -2.844 58 1HD1 LEU 8 1HD1 LEU 8 -5.518 -28.926 -0.964 59 2HD1 LEU 8 2HD1 LEU 8 -3.814 -28.617 -0.627 60 3HD1 LEU 8 3HD1 LEU 8 -4.289 -30.057 -1.528 61 1HD2 LEU 8 1HD2 LEU 8 -4.615 -30.068 -3.739 62 2HD2 LEU 8 2HD2 LEU 8 -4.636 -28.618 -4.743 63 3HD2 LEU 8 3HD2 LEU 8 -6.043 -29.032 -3.762 64 H SER 9 H SER 9 -6.831 -25.164 -2.189 65 HA SER 9 HA SER 9 -6.456 -22.785 -3.562 66 1HB SER 9 2HB SER 9 -8.625 -23.889 -3.524 67 2HB SER 9 1HB SER 9 -8.774 -23.606 -1.790 68 HG SER 9 HG SER 9 -9.447 -21.992 -3.813 69 H GLY 10 H GLY 10 -6.453 -23.458 -0.150 70 1HA GLY 10 2HA GLY 10 -6.503 -20.693 0.657 71 2HA GLY 10 1HA GLY 10 -6.192 -22.084 1.692 72 H ILE 11 H ILE 11 -4.118 -23.018 -0.326 73 HA ILE 11 HA ILE 11 -1.886 -21.713 0.928 74 HB ILE 11 HB ILE 11 -1.792 -23.551 -1.465 75 1HG1 ILE 11 2HG1 ILE 11 -1.823 -24.238 1.483 76 2HG1 ILE 11 1HG1 ILE 11 -3.063 -24.642 0.302 77 1HG2 ILE 11 1HG2 ILE 11 0.309 -23.487 0.623 78 2HG2 ILE 11 2HG2 ILE 11 0.214 -22.111 -0.474 79 3HG2 ILE 11 3HG2 ILE 11 0.444 -23.736 -1.118 80 1HD1 ILE 11 1HD1 ILE 11 -1.030 -25.834 -0.887 81 2HD1 ILE 11 2HD1 ILE 11 -1.959 -26.620 0.390 82 3HD1 ILE 11 3HD1 ILE 11 -0.408 -25.866 0.763 83 H THR 12 H THR 12 -2.873 -22.009 -2.487 84 HA THR 12 HA THR 12 -1.089 -20.051 -3.447 85 HB THR 12 HB THR 12 -2.572 -20.040 -5.471 86 HG1 THR 12 1HG THR 12 -4.059 -22.001 -4.075 87 1HG2 THR 12 1HG2 THR 12 -1.093 -21.672 -5.893 88 2HG2 THR 12 2HG2 THR 12 -2.494 -22.715 -5.649 89 3HG2 THR 12 3HG2 THR 12 -1.347 -22.456 -4.334 90 H GLU 13 H GLU 13 -4.574 -19.871 -2.724 91 HA GLU 13 HA GLU 13 -4.842 -17.125 -3.303 92 1HB GLU 13 2HB GLU 13 -6.672 -18.920 -2.984 93 2HB GLU 13 1HB GLU 13 -6.525 -18.567 -1.268 94 1HG GLU 13 2HG GLU 13 -8.283 -17.226 -1.946 95 2HG GLU 13 1HG GLU 13 -6.909 -16.122 -1.944 96 H GLY 14 H GLY 14 -3.818 -18.864 -0.450 97 1HA GLY 14 2HA GLY 14 -4.061 -16.764 1.423 98 2HA GLY 14 1HA GLY 14 -2.993 -18.153 1.573 99 H GLU 15 H GLU 15 -1.076 -17.993 -0.094 100 HA GLU 15 HA GLU 15 0.508 -15.809 0.711 101 1HB GLU 15 2HB GLU 15 0.873 -17.784 -1.549 102 2HB GLU 15 1HB GLU 15 2.098 -16.625 -1.052 103 1HG GLU 15 2HG GLU 15 1.027 -18.290 1.111 104 2HG GLU 15 1HG GLU 15 1.910 -19.165 -0.139 105 H ALA 16 H ALA 16 -1.217 -16.515 -2.292 106 HA ALA 16 HA ALA 16 -0.372 -14.310 -3.789 107 1HB ALA 16 1HB ALA 16 -1.625 -16.288 -4.658 108 2HB ALA 16 2HB ALA 16 -2.249 -14.735 -5.215 109 3HB ALA 16 3HB ALA 16 -3.085 -15.615 -3.935 110 H LYS 17 H LYS 17 -3.016 -14.680 -1.481 111 HA LYS 17 HA LYS 17 -4.180 -12.135 -1.902 112 1HB LYS 17 2HB LYS 17 -5.415 -13.929 -0.812 113 2HB LYS 17 1HB LYS 17 -4.257 -13.957 0.511 114 1HG LYS 17 2HG LYS 17 -4.929 -11.547 0.949 115 2HG LYS 17 1HG LYS 17 -6.274 -11.836 -0.154 116 1HD LYS 17 2HD LYS 17 -7.316 -13.295 1.279 117 2HD LYS 17 1HD LYS 17 -5.807 -13.773 2.059 118 1HE LYS 17 2HE LYS 17 -5.902 -11.165 2.744 119 2HE LYS 17 1HE LYS 17 -7.625 -11.527 2.650 120 1HZ LYS 17 1HZ LYS 17 -5.603 -12.899 4.333 121 2HZ LYS 17 2HZ LYS 17 -7.198 -13.434 4.151 122 3HZ LYS 17 3HZ LYS 17 -6.886 -11.931 4.864 123 H GLU 18 H GLU 18 -1.587 -13.300 0.153 124 HA GLU 18 HA GLU 18 -1.362 -11.006 1.791 125 1HB GLU 18 2HB GLU 18 -0.295 -13.415 1.979 126 2HB GLU 18 1HB GLU 18 1.035 -12.657 1.114 127 1HG GLU 18 2HG GLU 18 0.653 -10.829 3.036 128 2HG GLU 18 1HG GLU 18 0.110 -12.276 3.885 129 H PHE 19 H PHE 19 0.848 -12.055 -0.796 130 HA PHE 19 HA PHE 19 2.221 -9.654 -1.043 131 1HB PHE 19 2HB PHE 19 2.687 -12.028 -2.043 132 2HB PHE 19 1HB PHE 19 1.793 -11.410 -3.427 133 HD1 PHE 19 1HD PHE 19 4.641 -10.542 -1.193 134 HD2 PHE 19 2HD PHE 19 2.910 -10.237 -5.069 135 HE1 PHE 19 1HE PHE 19 6.682 -9.441 -2.014 136 HE2 PHE 19 2HE PHE 19 4.949 -9.136 -5.898 137 HZ PHE 19 HZ PHE 19 6.838 -8.738 -4.369 138 H HIS 20 H HIS 20 -0.818 -10.672 -2.441 139 HA HIS 20 HA HIS 20 -0.958 -8.605 -4.401 140 1HB HIS 20 2HB HIS 20 -2.240 -10.695 -4.604 141 2HB HIS 20 1HB HIS 20 -3.180 -10.257 -3.181 142 HD1 HIS 20 1HD HIS 20 -3.252 -10.063 -6.769 143 HD2 HIS 20 2HD HIS 20 -4.672 -7.714 -3.649 144 HE1 HIS 20 1HE HIS 20 -5.015 -8.588 -7.787 145 HE2 HIS 20 2HE HIS 20 -5.910 -7.225 -5.866 146 H LYS 21 H LYS 21 -2.656 -9.059 -1.295 147 HA LYS 21 HA LYS 21 -3.914 -6.551 -1.285 148 1HB LYS 21 2HB LYS 21 -3.335 -8.634 0.762 149 2HB LYS 21 1HB LYS 21 -3.810 -7.041 1.329 150 1HG LYS 21 2HG LYS 21 -5.712 -8.574 1.134 151 2HG LYS 21 1HG LYS 21 -5.875 -7.166 0.085 152 1HD LYS 21 2HD LYS 21 -4.894 -8.610 -1.760 153 2HD LYS 21 1HD LYS 21 -5.144 -9.982 -0.679 154 1HE LYS 21 2HE LYS 21 -7.007 -9.737 -2.234 155 2HE LYS 21 1HE LYS 21 -7.528 -9.470 -0.571 156 1HZ LYS 21 1HZ LYS 21 -6.721 -7.148 -2.166 157 2HZ LYS 21 2HZ LYS 21 -7.877 -7.262 -0.937 158 3HZ LYS 21 3HZ LYS 21 -8.227 -7.851 -2.483 159 H ILE 22 H ILE 22 -0.837 -7.608 0.134 160 HA ILE 22 HA ILE 22 -0.238 -5.191 1.429 161 HB ILE 22 HB ILE 22 1.969 -6.020 1.710 162 1HG1 ILE 22 2HG1 ILE 22 1.386 -8.027 -0.465 163 2HG1 ILE 22 1HG1 ILE 22 2.457 -6.638 -0.610 164 1HG2 ILE 22 1HG2 ILE 22 0.953 -7.324 3.196 165 2HG2 ILE 22 2HG2 ILE 22 1.254 -8.628 2.049 166 3HG2 ILE 22 3HG2 ILE 22 -0.302 -7.801 2.054 167 1HD1 ILE 22 1HD1 ILE 22 2.846 -9.151 0.953 168 2HD1 ILE 22 2HD1 ILE 22 3.731 -7.681 1.360 169 3HD1 ILE 22 3HD1 ILE 22 3.906 -8.402 -0.241 170 H PHE 23 H PHE 23 0.689 -6.418 -1.778 171 HA PHE 23 HA PHE 23 2.279 -4.216 -2.520 172 1HB PHE 23 2HB PHE 23 2.174 -6.471 -3.671 173 2HB PHE 23 1HB PHE 23 0.666 -5.937 -4.408 174 HD1 PHE 23 1HD PHE 23 4.170 -6.069 -4.748 175 HD2 PHE 23 2HD PHE 23 0.777 -3.689 -5.713 176 HE1 PHE 23 1HE PHE 23 5.445 -4.992 -6.555 177 HE2 PHE 23 2HE PHE 23 2.046 -2.608 -7.523 178 HZ PHE 23 HZ PHE 23 4.382 -3.259 -7.947 179 H THR 24 H THR 24 -1.041 -5.016 -3.538 180 HA THR 24 HA THR 24 -1.626 -2.631 -4.814 181 HB THR 24 HB THR 24 -2.970 -4.984 -4.227 182 HG1 THR 24 1HG THR 24 -3.125 -3.800 -6.142 183 1HG2 THR 24 1HG2 THR 24 -3.937 -4.055 -2.190 184 2HG2 THR 24 2HG2 THR 24 -5.163 -4.347 -3.425 185 3HG2 THR 24 3HG2 THR 24 -4.593 -2.706 -3.119 186 H SER 25 H SER 25 -1.861 -3.485 -1.406 187 HA SER 25 HA SER 25 -3.253 -1.267 -0.462 188 1HB SER 25 2HB SER 25 -1.249 -3.130 0.763 189 2HB SER 25 1HB SER 25 -1.792 -1.719 1.668 190 HG SER 25 HG SER 25 -2.999 -3.976 1.584 191 H SER 26 H SER 26 0.272 -1.734 -0.547 192 HA SER 26 HA SER 26 1.021 0.796 0.299 193 1HB SER 26 2HB SER 26 2.616 -1.018 0.214 194 2HB SER 26 1HB SER 26 2.467 -1.118 -1.540 195 HG SER 26 HG SER 26 3.389 0.947 -1.680 196 H ILE 27 H ILE 27 0.590 -0.356 -3.060 197 HA ILE 27 HA ILE 27 1.362 2.066 -4.265 198 HB ILE 27 HB ILE 27 0.950 -0.327 -5.291 199 1HG1 ILE 27 2HG1 ILE 27 0.945 0.684 -7.522 200 2HG1 ILE 27 1HG1 ILE 27 0.412 2.216 -6.833 201 1HG2 ILE 27 1HG2 ILE 27 -1.076 -0.437 -6.657 202 2HG2 ILE 27 2HG2 ILE 27 -1.660 1.047 -5.906 203 3HG2 ILE 27 3HG2 ILE 27 -1.446 -0.409 -4.936 204 1HD1 ILE 27 1HD1 ILE 27 2.460 2.654 -5.890 205 2HD1 ILE 27 2HD1 ILE 27 2.912 1.842 -7.389 206 3HD1 ILE 27 3HD1 ILE 27 2.931 0.954 -5.864 207 H LEU 28 H LEU 28 -1.827 0.813 -3.423 208 HA LEU 28 HA LEU 28 -3.370 2.941 -4.402 209 1HB LEU 28 2HB LEU 28 -3.729 0.702 -2.512 210 2HB LEU 28 1HB LEU 28 -4.831 2.049 -2.304 211 HG LEU 28 HG LEU 28 -5.670 1.809 -4.504 212 1HD1 LEU 28 1HD1 LEU 28 -3.628 1.291 -5.691 213 2HD1 LEU 28 2HD1 LEU 28 -4.849 0.069 -6.046 214 3HD1 LEU 28 3HD1 LEU 28 -3.548 -0.288 -4.910 215 1HD2 LEU 28 1HD2 LEU 28 -6.898 0.364 -3.234 216 2HD2 LEU 28 2HD2 LEU 28 -5.500 -0.628 -2.819 217 3HD2 LEU 28 3HD2 LEU 28 -6.236 -0.765 -4.416 218 H VAL 29 H VAL 29 -2.441 2.230 -1.095 219 HA VAL 29 HA VAL 29 -3.349 4.534 0.123 220 HB VAL 29 HB VAL 29 -1.961 3.937 2.004 221 1HG1 VAL 29 1HG1 VAL 29 -2.437 1.280 1.795 222 2HG1 VAL 29 2HG1 VAL 29 -3.513 1.921 0.554 223 3HG1 VAL 29 3HG1 VAL 29 -3.655 2.484 2.219 224 1HG2 VAL 29 1HG2 VAL 29 -0.438 2.351 -0.016 225 2HG2 VAL 29 2HG2 VAL 29 -0.424 1.884 1.682 226 3HG2 VAL 29 3HG2 VAL 29 0.161 3.476 1.200 227 H PHE 30 H PHE 30 -0.084 3.843 -1.164 228 HA PHE 30 HA PHE 30 1.089 6.275 -0.360 229 1HB PHE 30 2HB PHE 30 2.274 4.192 -1.232 230 2HB PHE 30 1HB PHE 30 1.836 4.733 -2.849 231 HD1 PHE 30 1HD PHE 30 3.615 5.824 0.225 232 HD2 PHE 30 2HD PHE 30 3.202 6.217 -3.992 233 HE1 PHE 30 1HE PHE 30 5.621 7.248 0.165 234 HE2 PHE 30 2HE PHE 30 5.207 7.641 -4.060 235 HZ PHE 30 HZ PHE 30 6.419 8.158 -1.980 236 H PHE 31 H PHE 31 -0.859 5.377 -3.078 237 HA PHE 31 HA PHE 31 -0.555 7.961 -4.381 238 1HB PHE 31 2HB PHE 31 -1.832 5.352 -5.149 239 2HB PHE 31 1HB PHE 31 -2.276 6.831 -5.994 240 HD1 PHE 31 1HD PHE 31 -0.494 4.080 -6.510 241 HD2 PHE 31 2HD PHE 31 0.169 8.279 -6.305 242 HE1 PHE 31 1HE PHE 31 1.479 3.835 -7.960 243 HE2 PHE 31 2HE PHE 31 2.142 8.042 -7.755 244 HZ PHE 31 HZ PHE 31 2.799 5.818 -8.584 245 H GLY 32 H GLY 32 -2.493 6.423 -2.098 246 1HA GLY 32 2HA GLY 32 -4.950 7.824 -2.604 247 2HA GLY 32 1HA GLY 32 -4.551 6.876 -1.166 248 H VAL 33 H VAL 33 -2.172 8.019 -0.531 249 HA VAL 33 HA VAL 33 -2.956 10.377 0.870 250 HB VAL 33 HB VAL 33 -0.379 10.389 1.326 251 1HG1 VAL 33 1HG1 VAL 33 -2.490 9.557 2.713 252 2HG1 VAL 33 2HG1 VAL 33 -0.835 9.392 3.303 253 3HG1 VAL 33 3HG1 VAL 33 -1.642 8.021 2.540 254 1HG2 VAL 33 1HG2 VAL 33 0.874 8.768 0.523 255 2HG2 VAL 33 2HG2 VAL 33 -0.501 8.242 -0.441 256 3HG2 VAL 33 3HG2 VAL 33 -0.228 7.545 1.151 257 H ALA 34 H ALA 34 -0.351 9.723 -1.476 258 HA ALA 34 HA ALA 34 0.465 12.263 -2.031 259 1HB ALA 34 1HB ALA 34 1.338 11.466 -4.047 260 2HB ALA 34 2HB ALA 34 0.007 10.333 -4.284 261 3HB ALA 34 3HB ALA 34 1.229 10.014 -3.052 262 H ALA 35 H ALA 35 -2.221 10.537 -3.587 263 HA ALA 35 HA ALA 35 -3.138 12.703 -5.149 264 1HB ALA 35 1HB ALA 35 -5.154 11.358 -5.462 265 2HB ALA 35 2HB ALA 35 -4.645 10.286 -4.158 266 3HB ALA 35 3HB ALA 35 -3.699 10.378 -5.643 267 H PHE 36 H PHE 36 -4.895 11.226 -2.422 268 HA PHE 36 HA PHE 36 -6.555 13.456 -1.994 269 1HB PHE 36 2HB PHE 36 -6.526 10.860 -1.125 270 2HB PHE 36 1HB PHE 36 -6.125 11.737 0.348 271 HD1 PHE 36 1HD PHE 36 -8.406 12.528 -2.491 272 HD2 PHE 36 2HD PHE 36 -7.994 11.811 1.683 273 HE1 PHE 36 1HE PHE 36 -10.788 13.054 -2.170 274 HE2 PHE 36 2HE PHE 36 -10.375 12.336 2.012 275 HZ PHE 36 HZ PHE 36 -11.775 12.958 0.084 276 H ALA 37 H ALA 37 -3.811 12.278 -0.033 277 HA ALA 37 HA ALA 37 -3.753 14.222 1.902 278 1HB ALA 37 1HB ALA 37 -1.145 13.341 0.764 279 2HB ALA 37 2HB ALA 37 -2.223 12.129 1.456 280 3HB ALA 37 3HB ALA 37 -1.657 13.472 2.446 281 H HIS 38 H HIS 38 -2.180 14.422 -1.321 282 HA HIS 38 HA HIS 38 -1.089 17.000 -0.837 283 1HB HIS 38 2HB HIS 38 -1.658 15.536 -3.415 284 2HB HIS 38 1HB HIS 38 -0.870 17.104 -3.349 285 HD1 HIS 38 1HD HIS 38 0.519 15.715 -0.528 286 HD2 HIS 38 2HD HIS 38 0.971 14.840 -4.564 287 HE1 HIS 38 1HE HIS 38 2.721 14.515 -0.713 288 HE2 HIS 38 2HE HIS 38 2.924 13.905 -3.149 289 H LEU 39 H LEU 39 -4.031 15.898 -2.489 290 HA LEU 39 HA LEU 39 -4.908 18.519 -3.153 291 1HB LEU 39 2HB LEU 39 -6.658 17.510 -4.178 292 2HB LEU 39 1HB LEU 39 -5.614 16.112 -4.037 293 HG LEU 39 HG LEU 39 -6.902 15.679 -1.815 294 1HD1 LEU 39 1HD1 LEU 39 -8.330 17.360 -1.366 295 2HD1 LEU 39 2HD1 LEU 39 -9.384 16.497 -2.485 296 3HD1 LEU 39 3HD1 LEU 39 -8.431 17.868 -3.051 297 1HD2 LEU 39 1HD2 LEU 39 -8.608 14.418 -3.058 298 2HD2 LEU 39 2HD2 LEU 39 -6.999 14.221 -3.753 299 3HD2 LEU 39 3HD2 LEU 39 -8.168 15.292 -4.525 300 H LEU 40 H LEU 40 -4.801 16.827 -0.233 301 HA LEU 40 HA LEU 40 -7.049 18.267 0.944 302 1HB LEU 40 2HB LEU 40 -5.244 16.082 1.955 303 2HB LEU 40 1HB LEU 40 -6.374 16.922 3.001 304 HG LEU 40 HG LEU 40 -7.303 15.545 0.497 305 1HD1 LEU 40 1HD1 LEU 40 -7.964 13.827 2.501 306 2HD1 LEU 40 2HD1 LEU 40 -6.349 14.340 2.990 307 3HD1 LEU 40 3HD1 LEU 40 -6.601 13.619 1.401 308 1HD2 LEU 40 1HD2 LEU 40 -8.637 17.238 2.022 309 2HD2 LEU 40 2HD2 LEU 40 -8.870 15.796 3.011 310 3HD2 LEU 40 3HD2 LEU 40 -9.412 15.811 1.333 311 H VAL 41 H VAL 41 -3.651 18.530 0.625 312 HA VAL 41 HA VAL 41 -3.006 19.815 3.045 313 HB VAL 41 HB VAL 41 -1.364 18.902 1.352 314 1HG1 VAL 41 1HG1 VAL 41 -1.176 21.490 -0.009 315 2HG1 VAL 41 2HG1 VAL 41 -2.612 20.549 -0.416 316 3HG1 VAL 41 3HG1 VAL 41 -1.007 19.854 -0.647 317 1HG2 VAL 41 1HG2 VAL 41 -0.236 19.975 3.004 318 2HG2 VAL 41 2HG2 VAL 41 -1.142 21.475 2.801 319 3HG2 VAL 41 3HG2 VAL 41 0.153 21.069 1.677 320 H TRP 42 H TRP 42 -4.535 20.951 0.134 321 HA TRP 42 HA TRP 42 -5.155 23.461 1.427 322 1HB TRP 42 2HB TRP 42 -2.949 23.833 0.274 323 2HB TRP 42 1HB TRP 42 -3.758 23.513 -1.256 324 HD1 TRP 42 HD TRP 42 -4.025 25.763 -2.439 325 HE1 TRP 42 1HE TRP 42 -4.834 28.114 -1.776 326 HE3 TRP 42 3HE TRP 42 -4.742 24.995 2.567 327 HZ2 TRP 42 2HZ TRP 42 -5.664 29.464 0.559 328 HZ3 TRP 42 3HZ TRP 42 -5.544 26.869 3.942 329 HH2 TRP 42 HH TRP 42 -5.995 29.058 2.958 330 H ILE 43 H ILE 43 -5.145 22.516 -2.005 331 HA ILE 43 HA ILE 43 -7.862 21.739 -2.088 332 HB ILE 43 HB ILE 43 -8.447 23.783 -3.669 333 1HG1 ILE 43 2HG1 ILE 43 -7.612 25.903 -2.647 334 2HG1 ILE 43 1HG1 ILE 43 -6.484 24.951 -1.687 335 1HG2 ILE 43 1HG2 ILE 43 -8.706 24.474 -0.807 336 2HG2 ILE 43 2HG2 ILE 43 -9.352 22.914 -1.317 337 3HG2 ILE 43 3HG2 ILE 43 -9.929 24.398 -2.075 338 1HD1 ILE 43 1HD1 ILE 43 -5.595 26.038 -3.796 339 2HD1 ILE 43 2HD1 ILE 43 -6.520 24.824 -4.679 340 3HD1 ILE 43 3HD1 ILE 43 -5.245 24.324 -3.568 341 H TRP 44 H TRP 44 -5.251 20.944 -3.089 342 HA TRP 44 HA TRP 44 -4.578 19.742 -4.921 343 1HB TRP 44 2HB TRP 44 -7.218 20.072 -5.527 344 2HB TRP 44 1HB TRP 44 -6.452 20.911 -6.873 345 HD1 TRP 44 HD TRP 44 -3.927 18.930 -7.175 346 HE1 TRP 44 1HE TRP 44 -4.307 16.597 -8.196 347 HE3 TRP 44 3HE TRP 44 -8.953 18.490 -6.350 348 HZ2 TRP 44 2HZ TRP 44 -6.452 14.808 -8.599 349 HZ3 TRP 44 3HZ TRP 44 -10.094 16.436 -7.084 350 HH2 TRP 44 HH TRP 44 -8.868 14.635 -8.184 351 H ARG 45 H ARG 45 -4.089 22.720 -4.247 352 HA ARG 45 HA ARG 45 -3.330 23.851 -6.776 353 1HB ARG 45 2HB ARG 45 -4.011 25.410 -5.131 354 2HB ARG 45 1HB ARG 45 -2.939 24.728 -3.919 355 1HG ARG 45 2HG ARG 45 -1.552 25.714 -6.294 356 2HG ARG 45 1HG ARG 45 -2.443 26.957 -5.415 357 1HD ARG 45 2HD ARG 45 -0.423 25.065 -4.216 358 2HD ARG 45 1HD ARG 45 -0.123 26.751 -4.634 359 HE ARG 45 HE ARG 45 -1.465 25.762 -2.307 360 1HH1 ARG 45 1HH1 ARG 45 -1.238 28.464 -4.504 361 2HH1 ARG 45 2HH1 ARG 45 -1.805 29.617 -3.343 362 1HH2 ARG 45 1HH2 ARG 45 -2.211 27.277 -0.778 363 2HH2 ARG 45 2HH2 ARG 45 -2.358 28.943 -1.227 364 HA PRO 46 HA PRO 46 1.169 23.080 -5.180 365 1HB PRO 46 2HB PRO 46 1.448 21.318 -3.101 366 2HB PRO 46 1HB PRO 46 1.373 23.072 -2.905 367 1HG PRO 46 2HG PRO 46 -0.782 21.031 -2.545 368 2HG PRO 46 1HG PRO 46 -0.416 22.461 -1.565 369 1HD PRO 46 2HD PRO 46 -2.430 22.422 -3.356 370 2HD PRO 46 1HD PRO 46 -1.492 23.890 -3.019 371 H TRP 47 H TRP 47 0.195 19.977 -3.833 372 HA TRP 47 HA TRP 47 0.432 17.852 -4.602 373 1HB TRP 47 2HB TRP 47 -1.302 19.091 -6.278 374 2HB TRP 47 1HB TRP 47 -0.070 18.574 -7.423 375 HD1 TRP 47 HD TRP 47 -2.660 17.162 -4.974 376 HE1 TRP 47 1HE TRP 47 -3.077 14.691 -5.560 377 HE3 TRP 47 3HE TRP 47 0.979 16.539 -8.510 378 HZ2 TRP 47 2HZ TRP 47 -2.005 12.736 -7.291 379 HZ3 TRP 47 3HZ TRP 47 1.217 14.338 -9.583 380 HH2 TRP 47 HH TRP 47 -0.245 12.476 -8.984 381 H VAL 48 H VAL 48 2.732 19.814 -4.823 382 HA VAL 48 HA VAL 48 4.657 18.062 -5.839 383 HB VAL 48 HB VAL 48 5.327 19.824 -7.754 384 1HG1 VAL 48 1HG1 VAL 48 4.623 17.210 -7.664 385 2HG1 VAL 48 2HG1 VAL 48 5.070 18.074 -9.136 386 3HG1 VAL 48 3HG1 VAL 48 3.369 17.861 -8.721 387 1HG2 VAL 48 1HG2 VAL 48 3.138 21.052 -7.285 388 2HG2 VAL 48 2HG2 VAL 48 2.344 19.692 -8.077 389 3HG2 VAL 48 3HG2 VAL 48 3.507 20.672 -8.967 390 HA PRO 49 HA PRO 49 7.299 20.859 -3.693 391 1HB PRO 49 2HB PRO 49 9.655 20.647 -5.011 392 2HB PRO 49 1HB PRO 49 9.006 19.347 -4.004 393 1HG PRO 49 2HG PRO 49 8.912 19.667 -6.980 394 2HG PRO 49 1HG PRO 49 9.259 18.215 -6.020 395 1HD PRO 49 2HD PRO 49 6.834 18.689 -7.140 396 2HD PRO 49 1HD PRO 49 7.030 17.796 -5.619 397 H GLY 50 H GLY 50 5.712 22.477 -4.982 398 1HA GLY 50 2HA GLY 50 5.829 24.773 -5.483 399 2HA GLY 50 1HA GLY 50 7.499 24.556 -5.987 400 HA PRO 51 HA PRO 51 4.699 23.174 -9.691 401 1HB PRO 51 2HB PRO 51 2.128 24.023 -9.638 402 2HB PRO 51 1HB PRO 51 2.635 22.474 -8.952 403 1HG PRO 51 2HG PRO 51 2.104 25.077 -7.570 404 2HG PRO 51 1HG PRO 51 1.635 23.436 -7.086 405 1HD PRO 51 2HD PRO 51 3.767 24.733 -6.016 406 2HD PRO 51 1HD PRO 51 3.707 22.969 -6.201 407 H ASN 52 H ASN 52 3.611 26.223 -8.200 408 HA ASN 52 HA ASN 52 3.418 27.665 -10.619 409 1HB ASN 52 2HB ASN 52 2.633 28.162 -8.088 410 2HB ASN 52 1HB ASN 52 4.081 29.163 -8.147 411 1HD2 ASN 52 1HD2 ASN 52 4.017 31.060 -9.188 412 2HD2 ASN 52 2HD2 ASN 52 2.651 31.659 -10.058 413 H GLY 53 H GLY 53 6.050 27.181 -8.328 414 1HA GLY 53 2HA GLY 53 8.221 27.243 -9.790 415 2HA GLY 53 1HA GLY 53 7.783 28.940 -9.909 416 H TYR 54 H TYR 54 7.439 30.059 -7.764 417 HA TYR 54 HA TYR 54 8.809 28.951 -5.487 418 1HB TYR 54 2HB TYR 54 10.446 30.902 -5.409 419 2HB TYR 54 1HB TYR 54 10.784 29.644 -6.594 420 HD1 TYR 54 1HD TYR 54 10.399 33.124 -6.079 421 HD2 TYR 54 2HD TYR 54 9.891 30.075 -9.002 422 HE1 TYR 54 1HE TYR 54 10.461 34.825 -7.854 423 HE2 TYR 54 2HE TYR 54 9.952 31.766 -10.786 424 HH TYR 54 HH TYR 54 9.560 34.159 -11.070 425 H SER 55 H SER 55 7.742 32.014 -6.960 426 HA SER 55 HA SER 55 5.953 32.469 -4.725 427 1HB SER 55 2HB SER 55 6.867 34.803 -4.382 428 2HB SER 55 1HB SER 55 7.913 33.503 -3.814 429 HG SER 55 HG SER 55 8.169 34.692 -6.372 Start of MODEL 10 1 1H ALA 1 1H ALA 1 -3.582 -30.981 -16.792 2 HA ALA 1 HA ALA 1 -5.392 -30.646 -14.631 3 1HB ALA 1 1HB ALA 1 -5.149 -33.183 -14.634 4 2HB ALA 1 2HB ALA 1 -4.878 -32.350 -13.103 5 3HB ALA 1 3HB ALA 1 -3.504 -32.910 -14.058 6 H GLU 2 H GLU 2 -4.451 -29.556 -12.880 7 HA GLU 2 HA GLU 2 -2.195 -28.005 -13.465 8 1HB GLU 2 2HB GLU 2 -3.312 -28.554 -10.712 9 2HB GLU 2 1HB GLU 2 -2.376 -27.154 -11.216 10 1HG GLU 2 2HG GLU 2 -4.159 -26.113 -12.075 11 2HG GLU 2 1HG GLU 2 -4.817 -27.595 -12.766 12 H VAL 3 H VAL 3 -0.382 -27.853 -11.642 13 HA VAL 3 HA VAL 3 0.561 -30.271 -10.512 14 HB VAL 3 HB VAL 3 0.993 -30.856 -12.857 15 1HG1 VAL 3 1HG1 VAL 3 3.001 -28.632 -12.987 16 2HG1 VAL 3 2HG1 VAL 3 1.335 -28.404 -13.518 17 3HG1 VAL 3 3HG1 VAL 3 2.351 -29.617 -14.298 18 1HG2 VAL 3 1HG2 VAL 3 2.473 -31.778 -11.204 19 2HG2 VAL 3 2HG2 VAL 3 3.454 -30.312 -11.203 20 3HG2 VAL 3 3HG2 VAL 3 3.418 -31.349 -12.630 21 H LYS 4 H LYS 4 2.334 -29.960 -9.194 22 HA LYS 4 HA LYS 4 4.124 -28.878 -8.218 23 1HB LYS 4 2HB LYS 4 4.304 -27.577 -10.454 24 2HB LYS 4 1HB LYS 4 3.434 -26.305 -9.607 25 1HG LYS 4 2HG LYS 4 5.249 -26.469 -7.831 26 2HG LYS 4 1HG LYS 4 6.151 -27.422 -9.010 27 1HD LYS 4 2HD LYS 4 5.567 -25.395 -10.590 28 2HD LYS 4 1HD LYS 4 5.417 -24.535 -9.056 29 1HE LYS 4 2HE LYS 4 7.649 -24.219 -9.708 30 2HE LYS 4 1HE LYS 4 7.710 -25.491 -8.488 31 1HZ LYS 4 1HZ LYS 4 7.512 -26.205 -11.336 32 2HZ LYS 4 2HZ LYS 4 8.168 -27.093 -10.055 33 3HZ LYS 4 3HZ LYS 4 9.011 -25.769 -10.684 34 H GLN 5 H GLN 5 1.102 -28.784 -7.650 35 HA GLN 5 HA GLN 5 1.289 -27.476 -5.166 36 1HB GLN 5 2HB GLN 5 -0.657 -25.801 -5.857 37 2HB GLN 5 1HB GLN 5 1.037 -25.358 -5.977 38 1HG GLN 5 2HG GLN 5 0.614 -26.463 -8.421 39 2HG GLN 5 1HG GLN 5 -0.965 -25.762 -8.078 40 1HE2 GLN 5 1HE2 GLN 5 2.349 -24.736 -7.341 41 2HE2 GLN 5 2HE2 GLN 5 2.217 -23.183 -8.084 42 H GLU 6 H GLU 6 -1.471 -27.568 -7.412 43 HA GLU 6 HA GLU 6 -3.394 -28.785 -7.417 44 1HB GLU 6 2HB GLU 6 -1.541 -30.640 -6.817 45 2HB GLU 6 1HB GLU 6 -2.494 -30.700 -5.341 46 1HG GLU 6 2HG GLU 6 -4.516 -31.086 -6.709 47 2HG GLU 6 1HG GLU 6 -3.494 -31.137 -8.145 48 H SER 7 H SER 7 -2.159 -28.997 -4.069 49 HA SER 7 HA SER 7 -4.680 -28.709 -2.860 50 1HB SER 7 2HB SER 7 -2.314 -29.469 -1.916 51 2HB SER 7 1HB SER 7 -2.244 -27.779 -1.415 52 HG SER 7 HG SER 7 -4.262 -28.119 -0.354 53 H LEU 8 H LEU 8 -2.426 -26.395 -4.095 54 HA LEU 8 HA LEU 8 -2.260 -24.085 -3.568 55 1HB LEU 8 2HB LEU 8 -4.824 -24.237 -5.112 56 2HB LEU 8 1HB LEU 8 -3.582 -23.003 -5.185 57 HG LEU 8 HG LEU 8 -2.571 -25.644 -5.896 58 1HD1 LEU 8 1HD1 LEU 8 -3.804 -26.158 -7.745 59 2HD1 LEU 8 2HD1 LEU 8 -4.373 -24.504 -7.965 60 3HD1 LEU 8 3HD1 LEU 8 -5.071 -25.515 -6.700 61 1HD2 LEU 8 1HD2 LEU 8 -2.065 -24.128 -8.009 62 2HD2 LEU 8 2HD2 LEU 8 -1.144 -23.980 -6.513 63 3HD2 LEU 8 3HD2 LEU 8 -2.444 -22.842 -6.863 64 H SER 9 H SER 9 -5.796 -24.330 -3.675 65 HA SER 9 HA SER 9 -7.232 -22.906 -2.474 66 1HB SER 9 2HB SER 9 -7.733 -25.119 -1.767 67 2HB SER 9 1HB SER 9 -6.328 -25.174 -0.703 68 HG SER 9 HG SER 9 -8.773 -23.838 -0.362 69 H GLY 10 H GLY 10 -5.289 -23.814 0.333 70 1HA GLY 10 2HA GLY 10 -5.437 -21.225 1.457 71 2HA GLY 10 1HA GLY 10 -4.405 -22.531 2.018 72 H ILE 11 H ILE 11 -3.136 -22.696 -0.704 73 HA ILE 11 HA ILE 11 -1.109 -20.682 -0.205 74 HB ILE 11 HB ILE 11 -1.171 -22.711 -2.437 75 1HG1 ILE 11 2HG1 ILE 11 -1.387 -23.893 -0.320 76 2HG1 ILE 11 1HG1 ILE 11 0.236 -24.121 -0.964 77 1HG2 ILE 11 1HG2 ILE 11 0.516 -21.273 -2.999 78 2HG2 ILE 11 2HG2 ILE 11 1.398 -22.398 -1.965 79 3HG2 ILE 11 3HG2 ILE 11 0.861 -20.846 -1.323 80 1HD1 ILE 11 1HD1 ILE 11 0.605 -23.729 1.281 81 2HD1 ILE 11 2HD1 ILE 11 -0.654 -22.497 1.378 82 3HD1 ILE 11 3HD1 ILE 11 0.868 -22.141 0.561 83 H THR 12 H THR 12 -3.529 -21.474 -2.639 84 HA THR 12 HA THR 12 -2.747 -19.563 -4.562 85 HB THR 12 HB THR 12 -5.551 -19.861 -4.727 86 HG1 THR 12 1HG THR 12 -5.982 -21.826 -4.110 87 1HG2 THR 12 1HG2 THR 12 -3.200 -20.886 -6.182 88 2HG2 THR 12 2HG2 THR 12 -4.615 -20.012 -6.770 89 3HG2 THR 12 3HG2 THR 12 -4.726 -21.738 -6.421 90 H GLU 13 H GLU 13 -5.329 -19.444 -2.109 91 HA GLU 13 HA GLU 13 -5.890 -16.684 -2.565 92 1HB GLU 13 2HB GLU 13 -7.368 -18.583 -1.504 93 2HB GLU 13 1HB GLU 13 -6.603 -18.065 -0.007 94 1HG GLU 13 2HG GLU 13 -7.389 -15.754 -0.483 95 2HG GLU 13 1HG GLU 13 -8.280 -16.396 -1.862 96 H GLY 14 H GLY 14 -3.791 -18.463 -0.404 97 1HA GLY 14 2HA GLY 14 -3.262 -16.445 1.477 98 2HA GLY 14 1HA GLY 14 -2.180 -17.771 1.079 99 H GLU 15 H GLU 15 -1.135 -17.444 -1.204 100 HA GLU 15 HA GLU 15 0.538 -15.188 -1.024 101 1HB GLU 15 2HB GLU 15 0.054 -16.844 -3.504 102 2HB GLU 15 1HB GLU 15 1.491 -15.913 -3.108 103 1HG GLU 15 2HG GLU 15 0.803 -17.937 -1.117 104 2HG GLU 15 1HG GLU 15 1.180 -18.589 -2.711 105 H ALA 16 H ALA 16 -2.284 -15.902 -3.027 106 HA ALA 16 HA ALA 16 -2.218 -13.627 -4.659 107 1HB ALA 16 1HB ALA 16 -4.593 -15.218 -3.695 108 2HB ALA 16 2HB ALA 16 -3.650 -15.520 -5.154 109 3HB ALA 16 3HB ALA 16 -4.619 -14.052 -5.017 110 H LYS 17 H LYS 17 -3.505 -14.154 -1.432 111 HA LYS 17 HA LYS 17 -4.875 -11.677 -1.214 112 1HB LYS 17 2HB LYS 17 -5.400 -13.588 0.226 113 2HB LYS 17 1HB LYS 17 -3.796 -13.504 0.941 114 1HG LYS 17 2HG LYS 17 -4.406 -11.155 1.678 115 2HG LYS 17 1HG LYS 17 -6.064 -11.559 1.227 116 1HD LYS 17 2HD LYS 17 -4.703 -13.542 2.923 117 2HD LYS 17 1HD LYS 17 -5.000 -11.979 3.684 118 1HE LYS 17 2HE LYS 17 -6.824 -13.673 3.989 119 2HE LYS 17 1HE LYS 17 -7.339 -12.139 3.289 120 1HZ LYS 17 1HZ LYS 17 -6.627 -14.425 1.564 121 2HZ LYS 17 2HZ LYS 17 -7.596 -13.087 1.204 122 3HZ LYS 17 3HZ LYS 17 -8.176 -14.295 2.234 123 H GLU 18 H GLU 18 -1.671 -12.780 -0.151 124 HA GLU 18 HA GLU 18 -0.895 -10.391 1.111 125 1HB GLU 18 2HB GLU 18 0.517 -12.785 0.046 126 2HB GLU 18 1HB GLU 18 1.481 -11.355 0.383 127 1HG GLU 18 2HG GLU 18 -0.381 -12.142 2.513 128 2HG GLU 18 1HG GLU 18 0.924 -13.282 2.184 129 H PHE 19 H PHE 19 -0.397 -11.557 -2.201 130 HA PHE 19 HA PHE 19 1.147 -9.409 -3.122 131 1HB PHE 19 2HB PHE 19 0.870 -11.550 -4.338 132 2HB PHE 19 1HB PHE 19 -0.794 -11.108 -4.704 133 HD1 PHE 19 1HD PHE 19 2.729 -10.113 -5.244 134 HD2 PHE 19 2HD PHE 19 -1.306 -9.769 -6.553 135 HE1 PHE 19 1HE PHE 19 3.491 -8.955 -7.278 136 HE2 PHE 19 2HE PHE 19 -0.551 -8.613 -8.589 137 HZ PHE 19 HZ PHE 19 1.851 -8.205 -8.954 138 H HIS 20 H HIS 20 -2.345 -9.984 -3.613 139 HA HIS 20 HA HIS 20 -2.884 -7.468 -4.725 140 1HB HIS 20 2HB HIS 20 -4.890 -8.414 -5.029 141 2HB HIS 20 1HB HIS 20 -4.349 -9.795 -4.085 142 HD1 HIS 20 1HD HIS 20 -6.657 -6.927 -4.020 143 HD2 HIS 20 2HD HIS 20 -5.144 -9.702 -1.323 144 HE1 HIS 20 1HE HIS 20 -8.149 -6.783 -2.000 145 HE2 HIS 20 2HE HIS 20 -7.158 -8.405 -0.346 146 H LYS 21 H LYS 21 -2.661 -8.562 -1.415 147 HA LYS 21 HA LYS 21 -3.909 -6.427 -0.114 148 1HB LYS 21 2HB LYS 21 -1.902 -8.485 0.632 149 2HB LYS 21 1HB LYS 21 -2.013 -7.075 1.677 150 1HG LYS 21 2HG LYS 21 -4.573 -8.343 0.956 151 2HG LYS 21 1HG LYS 21 -3.498 -9.289 1.988 152 1HD LYS 21 2HD LYS 21 -3.662 -7.827 3.734 153 2HD LYS 21 1HD LYS 21 -3.917 -6.432 2.683 154 1HE LYS 21 2HE LYS 21 -6.045 -6.591 3.393 155 2HE LYS 21 1HE LYS 21 -6.157 -7.860 2.174 156 1HZ LYS 21 1HZ LYS 21 -7.042 -8.648 4.245 157 2HZ LYS 21 2HZ LYS 21 -5.621 -8.240 5.070 158 3HZ LYS 21 3HZ LYS 21 -5.605 -9.480 3.919 159 H ILE 22 H ILE 22 -0.377 -6.863 -0.074 160 HA ILE 22 HA ILE 22 0.243 -4.237 0.512 161 HB ILE 22 HB ILE 22 1.761 -6.312 0.489 162 1HG1 ILE 22 2HG1 ILE 22 3.769 -4.892 0.305 163 2HG1 ILE 22 1HG1 ILE 22 2.792 -3.632 -0.444 164 1HG2 ILE 22 1HG2 ILE 22 1.367 -6.431 -2.118 165 2HG2 ILE 22 2HG2 ILE 22 2.890 -6.940 -1.390 166 3HG2 ILE 22 3HG2 ILE 22 2.757 -5.347 -2.136 167 1HD1 ILE 22 1HD1 ILE 22 2.124 -2.882 1.527 168 2HD1 ILE 22 2HD1 ILE 22 3.308 -3.966 2.257 169 3HD1 ILE 22 3HD1 ILE 22 1.639 -4.495 2.048 170 H PHE 23 H PHE 23 -0.697 -5.621 -2.524 171 HA PHE 23 HA PHE 23 0.418 -3.722 -4.272 172 1HB PHE 23 2HB PHE 23 -0.591 -5.855 -5.028 173 2HB PHE 23 1HB PHE 23 -2.179 -5.254 -4.567 174 HD1 PHE 23 1HD PHE 23 0.735 -4.169 -6.633 175 HD2 PHE 23 2HD PHE 23 -3.495 -4.416 -6.242 176 HE1 PHE 23 1HE PHE 23 0.474 -3.168 -8.865 177 HE2 PHE 23 2HE PHE 23 -3.764 -3.417 -8.474 178 HZ PHE 23 HZ PHE 23 -1.779 -2.792 -9.789 179 H THR 24 H THR 24 -2.962 -3.969 -3.202 180 HA THR 24 HA THR 24 -3.687 -1.375 -3.959 181 HB THR 24 HB THR 24 -5.519 -1.780 -2.151 182 HG1 THR 24 1HG THR 24 -4.474 -3.428 -1.028 183 1HG2 THR 24 1HG2 THR 24 -5.139 -3.457 -4.597 184 2HG2 THR 24 2HG2 THR 24 -6.132 -2.012 -4.393 185 3HG2 THR 24 3HG2 THR 24 -6.600 -3.525 -3.611 186 H SER 25 H SER 25 -2.358 -2.664 -0.962 187 HA SER 25 HA SER 25 -2.745 -0.543 0.751 188 1HB SER 25 2HB SER 25 -1.226 -2.888 0.776 189 2HB SER 25 1HB SER 25 -0.049 -1.598 1.021 190 HG SER 25 HG SER 25 -0.789 -1.375 2.964 191 H SER 26 H SER 26 0.394 -1.064 -0.843 192 HA SER 26 HA SER 26 1.309 1.549 -0.510 193 1HB SER 26 2HB SER 26 3.096 0.978 -1.958 194 2HB SER 26 1HB SER 26 2.640 -0.532 -1.168 195 HG SER 26 HG SER 26 1.446 -1.063 -3.040 196 H ILE 27 H ILE 27 -0.761 0.191 -2.976 197 HA ILE 27 HA ILE 27 -0.458 2.208 -4.921 198 HB ILE 27 HB ILE 27 -2.332 -0.013 -4.448 199 1HG1 ILE 27 2HG1 ILE 27 -1.914 -0.422 -6.813 200 2HG1 ILE 27 1HG1 ILE 27 -1.143 1.152 -6.973 201 1HG2 ILE 27 1HG2 ILE 27 -4.092 1.499 -4.687 202 2HG2 ILE 27 2HG2 ILE 27 -3.841 0.885 -6.321 203 3HG2 ILE 27 3HG2 ILE 27 -3.218 2.473 -5.872 204 1HD1 ILE 27 1HD1 ILE 27 0.379 0.095 -5.034 205 2HD1 ILE 27 2HD1 ILE 27 0.725 -0.075 -6.754 206 3HD1 ILE 27 3HD1 ILE 27 -0.096 -1.372 -5.887 207 H LEU 28 H LEU 28 -3.273 1.742 -2.750 208 HA LEU 28 HA LEU 28 -4.429 4.224 -3.272 209 1HB LEU 28 2HB LEU 28 -5.636 3.877 -1.105 210 2HB LEU 28 1HB LEU 28 -5.758 2.552 -2.249 211 HG LEU 28 HG LEU 28 -3.569 1.854 -0.715 212 1HD1 LEU 28 1HD1 LEU 28 -3.775 3.339 1.022 213 2HD1 LEU 28 2HD1 LEU 28 -4.731 1.979 1.612 214 3HD1 LEU 28 3HD1 LEU 28 -5.535 3.386 0.917 215 1HD2 LEU 28 1HD2 LEU 28 -4.875 0.039 -0.046 216 2HD2 LEU 28 2HD2 LEU 28 -5.588 0.536 -1.580 217 3HD2 LEU 28 3HD2 LEU 28 -6.363 0.985 -0.061 218 H VAL 29 H VAL 29 -1.953 3.314 -0.944 219 HA VAL 29 HA VAL 29 -1.978 5.667 0.563 220 HB VAL 29 HB VAL 29 -0.597 3.176 0.450 221 1HG1 VAL 29 1HG1 VAL 29 1.217 5.543 0.721 222 2HG1 VAL 29 2HG1 VAL 29 1.276 4.285 -0.514 223 3HG1 VAL 29 3HG1 VAL 29 1.633 3.889 1.168 224 1HG2 VAL 29 1HG2 VAL 29 0.070 4.111 2.817 225 2HG2 VAL 29 2HG2 VAL 29 -1.569 3.581 2.436 226 3HG2 VAL 29 3HG2 VAL 29 -1.169 5.299 2.411 227 H PHE 30 H PHE 30 -0.117 4.547 -2.238 228 HA PHE 30 HA PHE 30 1.629 6.743 -2.461 229 1HB PHE 30 2HB PHE 30 1.833 4.515 -3.633 230 2HB PHE 30 1HB PHE 30 0.561 5.047 -4.728 231 HD1 PHE 30 1HD PHE 30 0.991 7.282 -5.974 232 HD2 PHE 30 2HD PHE 30 4.043 4.947 -4.146 233 HE1 PHE 30 1HE PHE 30 2.673 8.371 -7.401 234 HE2 PHE 30 2HE PHE 30 5.731 6.032 -5.568 235 HZ PHE 30 HZ PHE 30 5.048 7.747 -7.198 236 H PHE 31 H PHE 31 -1.607 6.162 -3.574 237 HA PHE 31 HA PHE 31 -1.749 8.691 -5.010 238 1HB PHE 31 2HB PHE 31 -2.818 6.347 -5.687 239 2HB PHE 31 1HB PHE 31 -4.130 6.922 -4.664 240 HD1 PHE 31 1HD PHE 31 -5.781 8.234 -5.589 241 HD2 PHE 31 2HD PHE 31 -1.982 8.032 -7.497 242 HE1 PHE 31 1HE PHE 31 -6.653 9.574 -7.459 243 HE2 PHE 31 2HE PHE 31 -2.847 9.372 -9.371 244 HZ PHE 31 HZ PHE 31 -5.186 10.144 -9.353 245 H GLY 32 H GLY 32 -2.318 7.389 -1.953 246 1HA GLY 32 2HA GLY 32 -4.471 9.106 -1.142 247 2HA GLY 32 1HA GLY 32 -3.453 8.117 -0.088 248 H VAL 33 H VAL 33 -1.013 8.945 -0.953 249 HA VAL 33 HA VAL 33 -0.637 11.393 0.472 250 HB VAL 33 HB VAL 33 1.753 11.064 -0.485 251 1HG1 VAL 33 1HG1 VAL 33 0.447 9.292 1.539 252 2HG1 VAL 33 2HG1 VAL 33 1.384 10.761 1.812 253 3HG1 VAL 33 3HG1 VAL 33 2.189 9.289 1.264 254 1HG2 VAL 33 1HG2 VAL 33 1.561 8.249 -0.608 255 2HG2 VAL 33 2HG2 VAL 33 2.158 9.377 -1.824 256 3HG2 VAL 33 3HG2 VAL 33 0.453 8.946 -1.785 257 H ALA 34 H ALA 34 0.166 10.368 -2.857 258 HA ALA 34 HA ALA 34 0.861 12.765 -3.951 259 1HB ALA 34 1HB ALA 34 -0.986 10.899 -5.419 260 2HB ALA 34 2HB ALA 34 0.690 10.469 -5.078 261 3HB ALA 34 3HB ALA 34 0.326 11.884 -6.066 262 H ALA 35 H ALA 35 -2.403 11.500 -3.455 263 HA ALA 35 HA ALA 35 -3.808 13.703 -4.529 264 1HB ALA 35 1HB ALA 35 -5.737 12.769 -3.268 265 2HB ALA 35 2HB ALA 35 -4.635 11.614 -2.518 266 3HB ALA 35 3HB ALA 35 -4.898 11.577 -4.261 267 H PHE 36 H PHE 36 -3.762 12.762 -1.091 268 HA PHE 36 HA PHE 36 -4.484 15.327 -0.165 269 1HB PHE 36 2HB PHE 36 -3.586 12.785 1.076 270 2HB PHE 36 1HB PHE 36 -3.414 14.243 2.046 271 HD1 PHE 36 1HD PHE 36 -6.018 12.935 -0.290 272 HD2 PHE 36 2HD PHE 36 -5.100 14.465 3.573 273 HE1 PHE 36 1HE PHE 36 -8.396 12.800 0.324 274 HE2 PHE 36 2HE PHE 36 -7.477 14.332 4.195 275 HZ PHE 36 HZ PHE 36 -9.129 13.498 2.569 276 H ALA 37 H ALA 37 -1.349 13.623 0.040 277 HA ALA 37 HA ALA 37 0.193 15.532 1.231 278 1HB ALA 37 1HB ALA 37 2.046 14.399 0.446 279 2HB ALA 37 2HB ALA 37 1.313 14.071 -1.124 280 3HB ALA 37 3HB ALA 37 0.787 13.173 0.300 281 H HIS 38 H HIS 38 -0.508 15.358 -2.288 282 HA HIS 38 HA HIS 38 1.002 17.709 -2.865 283 1HB HIS 38 2HB HIS 38 -1.140 16.307 -4.472 284 2HB HIS 38 1HB HIS 38 -0.181 17.653 -5.067 285 HD1 HIS 38 1HD HIS 38 -0.039 15.001 -6.541 286 HD2 HIS 38 2HD HIS 38 2.543 16.044 -3.457 287 HE1 HIS 38 1HE HIS 38 2.015 13.590 -6.878 288 HE2 HIS 38 2HE HIS 38 3.600 14.308 -5.057 289 H LEU 39 H LEU 39 -2.338 17.080 -2.018 290 HA LEU 39 HA LEU 39 -3.347 19.648 -2.687 291 1HB LEU 39 2HB LEU 39 -4.467 17.284 -1.937 292 2HB LEU 39 1HB LEU 39 -4.641 18.215 -0.462 293 HG LEU 39 HG LEU 39 -5.753 20.009 -1.858 294 1HD1 LEU 39 1HD1 LEU 39 -5.255 17.949 -3.918 295 2HD1 LEU 39 2HD1 LEU 39 -5.344 19.704 -4.062 296 3HD1 LEU 39 3HD1 LEU 39 -6.825 18.751 -3.957 297 1HD2 LEU 39 1HD2 LEU 39 -6.800 17.957 -0.517 298 2HD2 LEU 39 2HD2 LEU 39 -7.393 17.559 -2.130 299 3HD2 LEU 39 3HD2 LEU 39 -7.790 19.117 -1.404 300 H LEU 40 H LEU 40 -1.675 18.351 0.076 301 HA LEU 40 HA LEU 40 -2.318 20.562 1.807 302 1HB LEU 40 2HB LEU 40 -0.625 18.114 2.000 303 2HB LEU 40 1HB LEU 40 -0.314 19.434 3.112 304 HG LEU 40 HG LEU 40 -2.754 19.316 3.767 305 1HD1 LEU 40 1HD1 LEU 40 -3.422 18.046 1.710 306 2HD1 LEU 40 2HD1 LEU 40 -4.023 17.382 3.229 307 3HD1 LEU 40 3HD1 LEU 40 -2.650 16.628 2.419 308 1HD2 LEU 40 1HD2 LEU 40 -0.802 17.100 4.287 309 2HD2 LEU 40 2HD2 LEU 40 -2.384 17.134 5.066 310 3HD2 LEU 40 3HD2 LEU 40 -1.245 18.456 5.325 311 H VAL 41 H VAL 41 0.531 19.475 -0.017 312 HA VAL 41 HA VAL 41 2.202 21.615 0.803 313 HB VAL 41 HB VAL 41 3.662 20.962 -1.069 314 1HG1 VAL 41 1HG1 VAL 41 4.265 18.826 -0.238 315 2HG1 VAL 41 2HG1 VAL 41 2.622 18.501 0.316 316 3HG1 VAL 41 3HG1 VAL 41 3.600 19.726 1.125 317 1HG2 VAL 41 1HG2 VAL 41 2.319 20.384 -2.856 318 2HG2 VAL 41 2HG2 VAL 41 1.250 19.389 -1.867 319 3HG2 VAL 41 3HG2 VAL 41 2.860 18.803 -2.287 320 H TRP 42 H TRP 42 -0.171 21.247 -1.721 321 HA TRP 42 HA TRP 42 0.623 23.378 -3.383 322 1HB TRP 42 2HB TRP 42 -1.060 21.554 -3.917 323 2HB TRP 42 1HB TRP 42 -2.222 22.460 -2.954 324 HD1 TRP 42 HD TRP 42 0.168 24.457 -5.118 325 HE1 TRP 42 1HE TRP 42 -1.138 25.502 -7.073 326 HE3 TRP 42 3HE TRP 42 -4.291 22.033 -4.501 327 HZ2 TRP 42 2HZ TRP 42 -3.719 25.321 -8.205 328 HZ3 TRP 42 3HZ TRP 42 -6.126 22.527 -6.063 329 HH2 TRP 42 HH TRP 42 -5.845 24.137 -7.876 330 H ILE 43 H ILE 43 -1.088 23.279 -0.361 331 HA ILE 43 HA ILE 43 -1.443 26.201 -0.507 332 HB ILE 43 HB ILE 43 -3.309 25.898 1.155 333 1HG1 ILE 43 2HG1 ILE 43 -4.404 23.578 0.988 334 2HG1 ILE 43 1HG1 ILE 43 -2.838 23.014 0.413 335 1HG2 ILE 43 1HG2 ILE 43 -3.911 24.504 -1.433 336 2HG2 ILE 43 2HG2 ILE 43 -3.528 26.225 -1.366 337 3HG2 ILE 43 3HG2 ILE 43 -4.935 25.601 -0.505 338 1HD1 ILE 43 1HD1 ILE 43 -3.097 24.507 2.993 339 2HD1 ILE 43 2HD1 ILE 43 -1.806 23.432 2.454 340 3HD1 ILE 43 3HD1 ILE 43 -3.380 22.769 2.896 341 H TRP 44 H TRP 44 0.869 24.722 0.428 342 HA TRP 44 HA TRP 44 1.317 26.101 2.864 343 1HB TRP 44 2HB TRP 44 -0.093 23.964 3.458 344 2HB TRP 44 1HB TRP 44 1.448 23.135 3.261 345 HD1 TRP 44 HD TRP 44 2.780 22.918 5.427 346 HE1 TRP 44 1HE TRP 44 2.901 24.189 7.661 347 HE3 TRP 44 3HE TRP 44 -0.527 26.680 4.400 348 HZ2 TRP 44 2HZ TRP 44 1.747 26.484 8.833 349 HZ3 TRP 44 3HZ TRP 44 -0.962 28.373 6.133 350 HH2 TRP 44 HH TRP 44 0.152 28.275 8.303 351 H ARG 45 H ARG 45 2.682 26.241 0.574 352 HA ARG 45 HA ARG 45 4.778 26.189 -0.299 353 1HB ARG 45 2HB ARG 45 5.229 25.528 2.564 354 2HB ARG 45 1HB ARG 45 6.555 25.218 1.451 355 1HG ARG 45 2HG ARG 45 5.200 27.870 1.387 356 2HG ARG 45 1HG ARG 45 6.349 27.513 2.678 357 1HD ARG 45 2HD ARG 45 7.227 26.824 -0.050 358 2HD ARG 45 1HD ARG 45 7.037 28.545 0.279 359 HE ARG 45 HE ARG 45 9.136 26.887 1.178 360 1HH1 ARG 45 1HH1 ARG 45 7.077 29.490 2.258 361 2HH1 ARG 45 2HH1 ARG 45 8.238 30.105 3.388 362 1HH2 ARG 45 1HH2 ARG 45 10.662 27.695 2.663 363 2HH2 ARG 45 2HH2 ARG 45 10.272 29.086 3.617 364 HA PRO 46 HA PRO 46 5.175 22.105 -1.945 365 1HB PRO 46 2HB PRO 46 7.870 22.754 -2.871 366 2HB PRO 46 1HB PRO 46 6.401 22.489 -3.812 367 1HG PRO 46 2HG PRO 46 7.558 24.922 -3.572 368 2HG PRO 46 1HG PRO 46 5.808 24.708 -3.759 369 1HD PRO 46 2HD PRO 46 7.397 25.257 -1.280 370 2HD PRO 46 1HD PRO 46 5.836 25.934 -1.793 371 H TRP 47 H TRP 47 6.192 20.126 -1.596 372 HA TRP 47 HA TRP 47 7.279 18.538 -0.384 373 1HB TRP 47 2HB TRP 47 9.204 19.664 -1.571 374 2HB TRP 47 1HB TRP 47 9.479 20.588 -0.098 375 HD1 TRP 47 HD TRP 47 8.891 16.783 -0.665 376 HE1 TRP 47 1HE TRP 47 10.761 15.511 0.563 377 HE3 TRP 47 3HE TRP 47 11.535 20.770 1.139 378 HZ2 TRP 47 2HZ TRP 47 13.054 16.117 2.095 379 HZ3 TRP 47 3HZ TRP 47 13.554 20.338 2.477 380 HH2 TRP 47 HH TRP 47 14.297 18.059 2.944 381 H VAL 48 H VAL 48 5.510 20.293 1.054 382 HA VAL 48 HA VAL 48 6.237 19.579 3.710 383 HB VAL 48 HB VAL 48 6.013 22.089 4.479 384 1HG1 VAL 48 1HG1 VAL 48 8.195 21.962 5.059 385 2HG1 VAL 48 2HG1 VAL 48 8.719 21.531 3.431 386 3HG1 VAL 48 3HG1 VAL 48 8.008 20.306 4.482 387 1HG2 VAL 48 1HG2 VAL 48 6.037 22.494 1.759 388 2HG2 VAL 48 2HG2 VAL 48 7.706 22.825 2.222 389 3HG2 VAL 48 3HG2 VAL 48 6.386 23.711 2.986 390 HA PRO 49 HA PRO 49 1.692 19.824 2.769 391 1HB PRO 49 2HB PRO 49 1.819 17.777 4.927 392 2HB PRO 49 1HB PRO 49 0.912 17.760 3.411 393 1HG PRO 49 2HG PRO 49 3.103 16.275 3.697 394 2HG PRO 49 1HG PRO 49 2.753 17.095 2.164 395 1HD PRO 49 2HD PRO 49 4.712 17.821 4.300 396 2HD PRO 49 1HD PRO 49 4.860 17.962 2.536 397 H GLY 50 H GLY 50 2.944 19.171 6.054 398 1HA GLY 50 2HA GLY 50 2.730 20.402 7.996 399 2HA GLY 50 1HA GLY 50 2.054 21.712 7.038 400 HA PRO 51 HA PRO 51 -1.689 18.614 7.853 401 1HB PRO 51 2HB PRO 51 -0.440 17.167 10.141 402 2HB PRO 51 1HB PRO 51 -1.553 16.571 8.906 403 1HG PRO 51 2HG PRO 51 1.035 15.963 8.802 404 2HG PRO 51 1HG PRO 51 0.125 16.323 7.323 405 1HD PRO 51 2HD PRO 51 2.081 18.019 8.809 406 2HD PRO 51 1HD PRO 51 1.795 17.890 7.062 407 H ASN 52 H ASN 52 -3.047 18.336 10.001 408 HA ASN 52 HA ASN 52 -2.353 20.489 11.878 409 1HB ASN 52 2HB ASN 52 -4.794 20.220 10.192 410 2HB ASN 52 1HB ASN 52 -5.000 20.822 11.835 411 1HD2 ASN 52 1HD2 ASN 52 -5.271 22.103 9.164 412 2HD2 ASN 52 2HD2 ASN 52 -4.277 23.513 9.244 413 H GLY 53 H GLY 53 -4.574 17.778 11.248 414 1HA GLY 53 2HA GLY 53 -4.886 15.937 12.686 415 2HA GLY 53 1HA GLY 53 -4.136 16.853 13.984 416 H TYR 54 H TYR 54 -7.072 16.618 12.018 417 HA TYR 54 HA TYR 54 -8.704 17.066 14.348 418 1HB TYR 54 2HB TYR 54 -9.891 19.017 13.479 419 2HB TYR 54 1HB TYR 54 -8.180 19.379 13.680 420 HD1 TYR 54 1HD TYR 54 -6.694 19.325 11.616 421 HD2 TYR 54 2HD TYR 54 -10.943 19.297 11.400 422 HE1 TYR 54 1HE TYR 54 -6.574 20.062 9.274 423 HE2 TYR 54 2HE TYR 54 -10.835 20.035 9.057 424 HH TYR 54 HH TYR 54 -9.218 19.964 7.177 425 H SER 55 H SER 55 -8.288 14.980 12.370 426 HA SER 55 HA SER 55 -10.688 14.992 10.735 427 1HB SER 55 2HB SER 55 -8.425 14.065 9.987 428 2HB SER 55 1HB SER 55 -8.751 12.700 11.056 429 HG SER 55 HG SER 55 -10.478 13.557 8.974
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